NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
460326 | 2cs5 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -23.458 5.531 -26.910 2 HA2 GLY 1 1HA GLY 1 -21.782 5.656 -24.509 3 HA3 GLY 1 2HA GLY 1 -21.179 4.743 -25.884 4 H SER 2 H SER 2 -20.648 7.480 -24.398 5 HA SER 2 HA SER 2 -19.642 8.788 -26.761 6 HB2 SER 2 1HB SER 2 -22.109 9.515 -26.426 7 HB3 SER 2 2HB SER 2 -21.492 10.438 -25.056 8 HG SER 2 HG SER 2 -21.548 11.650 -27.019 9 H SER 3 H SER 3 -18.839 11.142 -25.928 10 HA SER 3 HA SER 3 -17.279 12.240 -24.688 11 HB2 SER 3 1HB SER 3 -18.229 10.595 -22.338 12 HB3 SER 3 2HB SER 3 -17.469 12.186 -22.302 13 HG SER 3 HG SER 3 -19.468 12.668 -23.737 14 H GLY 4 H GLY 4 -16.305 10.144 -26.135 15 HA2 GLY 4 1HA GLY 4 -14.106 9.239 -24.409 16 HA3 GLY 4 2HA GLY 4 -14.980 8.048 -25.362 17 H SER 5 H SER 5 -14.061 7.524 -27.220 18 HA SER 5 HA SER 5 -12.816 7.610 -29.122 19 HB2 SER 5 1HB SER 5 -14.334 9.610 -29.529 20 HB3 SER 5 2HB SER 5 -13.008 10.620 -28.954 21 HG SER 5 HG SER 5 -13.108 8.971 -31.244 22 H SER 6 H SER 6 -11.404 7.303 -26.802 23 HA SER 6 HA SER 6 -8.841 8.433 -27.555 24 HB2 SER 6 1HB SER 6 -10.059 8.916 -24.827 25 HB3 SER 6 2HB SER 6 -8.366 9.206 -25.226 26 HG SER 6 HG SER 6 -10.388 10.848 -25.560 27 H GLY 7 H GLY 7 -7.267 6.971 -27.309 28 HA2 GLY 7 1HA GLY 7 -7.209 5.078 -25.167 29 HA3 GLY 7 2HA GLY 7 -7.705 4.329 -26.678 30 H ASN 8 H ASN 8 -5.114 4.959 -24.747 31 HA ASN 8 HA ASN 8 -3.251 4.109 -26.753 32 HB2 ASN 8 1HB ASN 8 -3.308 6.956 -25.840 33 HB3 ASN 8 2HB ASN 8 -1.748 6.197 -26.143 34 HD21 ASN 8 1HD2 ASN 8 -3.823 8.178 -27.495 35 HD22 ASN 8 2HD2 ASN 8 -3.664 7.755 -29.163 36 H GLY 9 H GLY 9 -1.502 3.109 -25.864 37 HA2 GLY 9 1HA GLY 9 -0.363 3.643 -23.368 38 HA3 GLY 9 2HA GLY 9 -1.589 2.406 -23.133 39 H GLY 10 H GLY 10 0.556 1.357 -22.413 40 HA2 GLY 10 1HA GLY 10 1.208 -0.638 -24.308 41 HA3 GLY 10 2HA GLY 10 2.503 0.547 -24.237 42 H ILE 11 H ILE 11 1.097 -2.186 -22.776 43 HA ILE 11 HA ILE 11 2.053 -1.965 -20.146 44 HB ILE 11 HB ILE 11 1.724 -4.327 -19.939 45 HG12 ILE 11 1HG1 ILE 11 2.931 -4.909 -22.068 46 HG13 ILE 11 2HG1 ILE 11 1.456 -5.828 -21.791 47 HG21 ILE 11 1HG2 ILE 11 -0.383 -3.486 -19.888 48 HG22 ILE 11 2HG2 ILE 11 -0.246 -2.748 -21.483 49 HG23 ILE 11 3HG2 ILE 11 -0.541 -4.480 -21.336 50 HD11 ILE 11 1HD1 ILE 11 1.421 -5.263 -24.057 51 HD12 ILE 11 2HD1 ILE 11 0.309 -4.129 -23.290 52 HD13 ILE 11 3HD1 ILE 11 1.931 -3.605 -23.742 53 HA PRO 12 HA PRO 12 6.400 -2.516 -20.528 54 HB2 PRO 12 1HB PRO 12 6.938 -3.605 -18.100 55 HB3 PRO 12 2HB PRO 12 6.527 -1.900 -18.318 56 HG2 PRO 12 1HG PRO 12 4.783 -4.172 -17.448 57 HG3 PRO 12 2HG PRO 12 4.878 -2.524 -16.802 58 HD2 PRO 12 1HD PRO 12 2.925 -3.311 -18.504 59 HD3 PRO 12 2HD PRO 12 3.563 -1.655 -18.483 60 H HIS 13 H HIS 13 7.909 -4.060 -21.057 61 HA HIS 13 HA HIS 13 7.225 -6.429 -22.171 62 HB2 HIS 13 1HB HIS 13 9.806 -6.044 -20.646 63 HB3 HIS 13 2HB HIS 13 9.531 -7.109 -22.022 64 HD1 HIS 13 1HD HIS 13 10.492 -3.679 -21.138 65 HD2 HIS 13 2HD HIS 13 9.184 -5.704 -24.522 66 HE1 HIS 13 1HE HIS 13 11.021 -2.164 -23.074 67 HE2 HIS 13 2HE HIS 13 10.143 -3.373 -25.102 68 H ASP 14 H ASP 14 8.277 -6.014 -18.798 69 HA ASP 14 HA ASP 14 8.295 -8.567 -17.881 70 HB2 ASP 14 1HB ASP 14 7.309 -6.040 -16.581 71 HB3 ASP 14 2HB ASP 14 7.299 -7.573 -15.712 72 H ASN 15 H ASN 15 6.705 -9.840 -16.673 73 HA ASN 15 HA ASN 15 3.990 -9.539 -17.781 74 HB2 ASN 15 1HB ASN 15 5.324 -12.156 -17.065 75 HB3 ASN 15 2HB ASN 15 3.789 -11.933 -17.900 76 HD21 ASN 15 1HD2 ASN 15 5.894 -13.484 -18.881 77 HD22 ASN 15 2HD2 ASN 15 6.486 -12.749 -20.328 78 H LEU 16 H LEU 16 4.603 -8.277 -15.434 79 HA LEU 16 HA LEU 16 3.914 -9.956 -13.189 80 HB2 LEU 16 1HB LEU 16 4.179 -6.958 -13.364 81 HB3 LEU 16 2HB LEU 16 4.049 -7.901 -11.881 82 HG LEU 16 HG LEU 16 6.348 -7.969 -13.834 83 HD11 LEU 16 1HD1 LEU 16 6.742 -7.146 -11.039 84 HD12 LEU 16 2HD1 LEU 16 5.824 -6.021 -12.040 85 HD13 LEU 16 3HD1 LEU 16 7.448 -6.509 -12.525 86 HD21 LEU 16 1HD2 LEU 16 7.022 -9.137 -11.367 87 HD22 LEU 16 2HD2 LEU 16 6.882 -9.927 -12.938 88 HD23 LEU 16 3HD2 LEU 16 5.487 -9.854 -11.859 89 H VAL 17 H VAL 17 2.089 -9.468 -11.767 90 HA VAL 17 HA VAL 17 -0.335 -9.134 -13.303 91 HB VAL 17 HB VAL 17 -0.021 -9.600 -10.334 92 HG11 VAL 17 1HG1 VAL 17 -2.267 -8.872 -11.801 93 HG12 VAL 17 2HG1 VAL 17 -2.425 -10.615 -11.578 94 HG13 VAL 17 3HG1 VAL 17 -2.241 -9.559 -10.177 95 HG21 VAL 17 1HG2 VAL 17 0.882 -11.535 -11.120 96 HG22 VAL 17 2HG2 VAL 17 -0.823 -11.969 -11.237 97 HG23 VAL 17 3HG2 VAL 17 0.049 -11.426 -12.671 98 H LEU 18 H LEU 18 -1.577 -7.370 -13.409 99 HA LEU 18 HA LEU 18 -0.810 -5.054 -11.773 100 HB2 LEU 18 1HB LEU 18 -0.644 -4.644 -14.128 101 HB3 LEU 18 2HB LEU 18 -2.273 -5.259 -14.397 102 HG LEU 18 HG LEU 18 -2.939 -3.261 -12.820 103 HD11 LEU 18 1HD1 LEU 18 -1.355 -1.321 -13.560 104 HD12 LEU 18 2HD1 LEU 18 -0.165 -2.614 -13.706 105 HD13 LEU 18 3HD1 LEU 18 -0.953 -2.313 -12.157 106 HD21 LEU 18 1HD2 LEU 18 -2.209 -2.193 -15.440 107 HD22 LEU 18 2HD2 LEU 18 -3.794 -2.374 -14.688 108 HD23 LEU 18 3HD2 LEU 18 -3.046 -3.743 -15.511 109 H ILE 19 H ILE 19 -2.150 -4.282 -10.274 110 HA ILE 19 HA ILE 19 -4.807 -5.482 -10.039 111 HB ILE 19 HB ILE 19 -3.346 -3.746 -8.047 112 HG12 ILE 19 1HG1 ILE 19 -2.357 -6.069 -8.714 113 HG13 ILE 19 2HG1 ILE 19 -2.511 -5.653 -7.010 114 HG21 ILE 19 1HG2 ILE 19 -5.946 -5.201 -8.035 115 HG22 ILE 19 2HG2 ILE 19 -5.036 -5.063 -6.532 116 HG23 ILE 19 3HG2 ILE 19 -5.541 -3.610 -7.393 117 HD11 ILE 19 1HD1 ILE 19 -4.577 -7.240 -8.502 118 HD12 ILE 19 2HD1 ILE 19 -3.222 -7.971 -7.641 119 HD13 ILE 19 3HD1 ILE 19 -4.419 -7.023 -6.759 120 H ARG 20 H ARG 20 -6.535 -4.419 -10.722 121 HA ARG 20 HA ARG 20 -6.394 -1.484 -10.928 122 HB2 ARG 20 1HB ARG 20 -7.686 -3.569 -12.637 123 HB3 ARG 20 2HB ARG 20 -8.410 -1.968 -12.557 124 HG2 ARG 20 1HG ARG 20 -5.947 -1.194 -13.064 125 HG3 ARG 20 2HG ARG 20 -5.818 -2.825 -13.726 126 HD2 ARG 20 1HD ARG 20 -7.986 -2.266 -14.983 127 HD3 ARG 20 2HD ARG 20 -7.633 -0.590 -14.568 128 HE ARG 20 HE ARG 20 -6.087 -0.584 -16.235 129 HH11 ARG 20 2HH1 ARG 20 -6.581 -3.875 -15.211 130 HH12 ARG 20 1HH1 ARG 20 -5.529 -4.545 -16.413 131 HH21 ARG 20 2HH2 ARG 20 -4.699 -1.454 -17.823 132 HH22 ARG 20 1HH2 ARG 20 -4.458 -3.167 -17.898 133 H MET 21 H MET 21 -7.567 -0.423 -9.485 134 HA MET 21 HA MET 21 -10.259 -1.249 -8.860 135 HB2 MET 21 1HB MET 21 -9.990 -1.532 -6.509 136 HB3 MET 21 2HB MET 21 -8.798 -2.565 -7.287 137 HG2 MET 21 1HG MET 21 -7.035 -1.063 -6.770 138 HG3 MET 21 2HG MET 21 -8.167 0.178 -6.240 139 HE1 MET 21 1HE MET 21 -6.504 -3.305 -3.844 140 HE2 MET 21 2HE MET 21 -6.919 -3.475 -5.550 141 HE3 MET 21 3HE MET 21 -5.690 -2.311 -5.053 142 H LYS 22 H LYS 22 -11.262 0.328 -7.251 143 HA LYS 22 HA LYS 22 -10.085 3.006 -7.604 144 HB2 LYS 22 1HB LYS 22 -12.243 3.940 -8.010 145 HB3 LYS 22 2HB LYS 22 -12.071 2.556 -9.082 146 HG2 LYS 22 1HG LYS 22 -13.393 2.202 -6.433 147 HG3 LYS 22 2HG LYS 22 -14.284 2.939 -7.767 148 HD2 LYS 22 1HD LYS 22 -13.332 0.848 -9.081 149 HD3 LYS 22 2HD LYS 22 -13.270 0.158 -7.457 150 HE2 LYS 22 1HE LYS 22 -15.634 0.613 -7.148 151 HE3 LYS 22 2HE LYS 22 -15.713 1.392 -8.727 152 HZ1 LYS 22 1HZ LYS 22 -15.057 -0.757 -9.717 153 HZ2 LYS 22 2HZ LYS 22 -16.543 -0.827 -8.911 154 HZ3 LYS 22 3HZ LYS 22 -15.157 -1.474 -8.187 155 HA PRO 23 HA PRO 23 -10.460 3.533 -3.259 156 HB2 PRO 23 1HB PRO 23 -10.794 6.224 -3.114 157 HB3 PRO 23 2HB PRO 23 -9.249 5.468 -3.521 158 HG2 PRO 23 1HG PRO 23 -11.308 6.666 -5.335 159 HG3 PRO 23 2HG PRO 23 -9.542 6.823 -5.389 160 HD2 PRO 23 1HD PRO 23 -10.904 5.132 -7.007 161 HD3 PRO 23 2HD PRO 23 -9.266 4.780 -6.420 162 H ASP 24 H ASP 24 -11.945 3.944 -1.591 163 HA ASP 24 HA ASP 24 -14.694 3.705 -2.346 164 HB2 ASP 24 1HB ASP 24 -13.409 2.759 -0.251 165 HB3 ASP 24 2HB ASP 24 -13.855 4.307 0.463 166 H GLU 25 H GLU 25 -16.332 5.105 -1.027 167 HA GLU 25 HA GLU 25 -16.481 7.607 -2.092 168 HB2 GLU 25 1HB GLU 25 -18.238 6.331 -0.743 169 HB3 GLU 25 2HB GLU 25 -17.489 7.027 0.687 170 HG2 GLU 25 1HG GLU 25 -19.192 8.506 0.288 171 HG3 GLU 25 2HG GLU 25 -17.847 9.284 -0.543 172 H ASN 26 H ASN 26 -15.306 6.888 1.199 173 HA ASN 26 HA ASN 26 -14.389 9.563 1.624 174 HB2 ASN 26 1HB ASN 26 -14.043 6.978 3.135 175 HB3 ASN 26 2HB ASN 26 -13.240 8.462 3.641 176 HD21 ASN 26 1HD2 ASN 26 -14.354 8.615 5.555 177 HD22 ASN 26 2HD2 ASN 26 -16.034 9.011 5.633 178 H GLY 27 H GLY 27 -12.990 6.626 0.381 179 HA2 GLY 27 1HA GLY 27 -11.084 6.765 -1.085 180 HA3 GLY 27 2HA GLY 27 -10.493 8.108 -0.117 181 H ARG 28 H ARG 28 -11.689 4.933 0.922 182 HA ARG 28 HA ARG 28 -9.009 4.382 2.013 183 HB2 ARG 28 1HB ARG 28 -11.621 3.586 3.306 184 HB3 ARG 28 2HB ARG 28 -10.004 3.387 3.969 185 HG2 ARG 28 1HG ARG 28 -9.752 5.781 4.173 186 HG3 ARG 28 2HG ARG 28 -11.322 6.035 3.408 187 HD2 ARG 28 1HD ARG 28 -10.839 4.606 6.020 188 HD3 ARG 28 2HD ARG 28 -11.457 6.247 5.843 189 HE ARG 28 HE ARG 28 -13.513 5.390 5.241 190 HH11 ARG 28 2HH1 ARG 28 -11.144 2.844 5.388 191 HH12 ARG 28 1HH1 ARG 28 -12.314 1.570 5.287 192 HH21 ARG 28 2HH2 ARG 28 -15.064 3.722 5.107 193 HH22 ARG 28 1HH2 ARG 28 -14.544 2.071 5.126 194 H PHE 29 H PHE 29 -8.270 2.278 1.904 195 HA PHE 29 HA PHE 29 -9.817 0.514 0.135 196 HB2 PHE 29 1HB PHE 29 -6.857 0.454 0.758 197 HB3 PHE 29 2HB PHE 29 -7.691 -0.551 -0.423 198 HD1 PHE 29 2HD PHE 29 -6.865 2.970 0.397 199 HD2 PHE 29 1HD PHE 29 -7.966 0.175 -2.617 200 HE1 PHE 29 2HE PHE 29 -6.475 4.681 -1.327 201 HE2 PHE 29 1HE PHE 29 -7.576 1.881 -4.347 202 HZ PHE 29 HZ PHE 29 -6.831 4.138 -3.703 203 H GLY 30 H GLY 30 -9.047 -1.911 0.517 204 HA2 GLY 30 1HA GLY 30 -9.323 -2.424 3.416 205 HA3 GLY 30 2HA GLY 30 -10.162 -3.371 2.196 206 H PHE 31 H PHE 31 -6.813 -2.261 2.069 207 HA PHE 31 HA PHE 31 -5.889 -5.003 2.528 208 HB2 PHE 31 1HB PHE 31 -4.569 -5.073 0.552 209 HB3 PHE 31 2HB PHE 31 -6.172 -4.547 0.048 210 HD1 PHE 31 1HD PHE 31 -2.702 -3.491 0.615 211 HD2 PHE 31 2HD PHE 31 -6.538 -2.364 -0.847 212 HE1 PHE 31 1HE PHE 31 -1.710 -1.507 -0.451 213 HE2 PHE 31 2HE PHE 31 -5.551 -0.379 -1.916 214 HZ PHE 31 HZ PHE 31 -3.134 0.051 -1.719 215 H ASN 32 H ASN 32 -4.210 -5.061 3.869 216 HA ASN 32 HA ASN 32 -2.781 -2.554 4.414 217 HB2 ASN 32 1HB ASN 32 -3.987 -3.811 6.276 218 HB3 ASN 32 2HB ASN 32 -2.740 -5.045 6.117 219 HD21 ASN 32 1HD2 ASN 32 -1.851 -4.751 8.111 220 HD22 ASN 32 2HD2 ASN 32 -0.997 -3.321 8.571 221 H VAL 33 H VAL 33 -0.501 -2.549 4.636 222 HA VAL 33 HA VAL 33 0.866 -4.843 3.390 223 HB VAL 33 HB VAL 33 2.392 -3.312 2.255 224 HG11 VAL 33 1HG1 VAL 33 -0.452 -3.500 1.707 225 HG12 VAL 33 2HG1 VAL 33 0.275 -2.057 0.999 226 HG13 VAL 33 3HG1 VAL 33 0.922 -3.653 0.613 227 HG21 VAL 33 1HG2 VAL 33 0.686 -1.183 3.525 228 HG22 VAL 33 2HG2 VAL 33 2.425 -1.422 3.689 229 HG23 VAL 33 3HG2 VAL 33 1.752 -0.873 2.154 230 H LYS 34 H LYS 34 3.330 -4.628 3.737 231 HA LYS 34 HA LYS 34 4.097 -3.338 6.213 232 HB2 LYS 34 1HB LYS 34 4.869 -5.419 7.277 233 HB3 LYS 34 2HB LYS 34 3.125 -5.407 7.051 234 HG2 LYS 34 1HG LYS 34 3.377 -6.824 5.071 235 HG3 LYS 34 2HG LYS 34 5.124 -6.849 5.320 236 HD2 LYS 34 1HD LYS 34 4.960 -8.149 7.236 237 HD3 LYS 34 2HD LYS 34 3.274 -7.703 7.513 238 HE2 LYS 34 1HE LYS 34 2.531 -9.086 5.729 239 HE3 LYS 34 2HE LYS 34 4.178 -9.341 5.154 240 HZ1 LYS 34 1HZ LYS 34 3.915 -11.249 6.307 241 HZ2 LYS 34 2HZ LYS 34 2.769 -10.603 7.369 242 HZ3 LYS 34 3HZ LYS 34 4.413 -10.285 7.604 243 H GLY 35 H GLY 35 6.346 -3.185 6.493 244 HA2 GLY 35 1HA GLY 35 8.599 -3.679 5.898 245 HA3 GLY 35 2HA GLY 35 8.022 -4.330 4.371 246 H GLY 36 H GLY 36 9.976 -2.865 3.811 247 HA2 GLY 36 1HA GLY 36 9.537 -0.984 2.072 248 HA3 GLY 36 2HA GLY 36 9.133 -0.067 3.515 249 H TYR 37 H TYR 37 11.071 0.930 1.963 250 HA TYR 37 HA TYR 37 13.665 0.171 2.139 251 HB2 TYR 37 1HB TYR 37 13.402 2.141 0.970 252 HB3 TYR 37 2HB TYR 37 12.349 2.850 2.189 253 HD1 TYR 37 1HD TYR 37 13.445 3.523 4.428 254 HD2 TYR 37 2HD TYR 37 15.650 2.751 0.871 255 HE1 TYR 37 1HE TYR 37 15.345 4.795 5.336 256 HE2 TYR 37 2HE TYR 37 17.556 4.019 1.770 257 HH TYR 37 HH TYR 37 18.447 4.731 3.914 258 H ASP 38 H ASP 38 11.730 1.590 4.709 259 HA ASP 38 HA ASP 38 13.689 2.192 6.568 260 HB2 ASP 38 1HB ASP 38 11.405 2.818 6.977 261 HB3 ASP 38 2HB ASP 38 10.890 1.133 6.982 262 H GLN 39 H GLN 39 12.115 -0.915 5.930 263 HA GLN 39 HA GLN 39 14.040 -2.201 7.745 264 HB2 GLN 39 1HB GLN 39 11.259 -2.900 6.889 265 HB3 GLN 39 2HB GLN 39 12.354 -4.183 7.388 266 HG2 GLN 39 1HG GLN 39 11.891 -1.781 9.113 267 HG3 GLN 39 2HG GLN 39 10.790 -3.158 9.137 268 HE21 GLN 39 1HE2 GLN 39 12.196 -2.344 11.374 269 HE22 GLN 39 2HE2 GLN 39 13.353 -3.559 11.787 270 H LYS 40 H LYS 40 14.641 -1.350 5.027 271 HA LYS 40 HA LYS 40 15.297 -2.180 2.963 272 HB2 LYS 40 1HB LYS 40 17.182 -3.800 3.284 273 HB3 LYS 40 2HB LYS 40 17.292 -2.352 4.276 274 HG2 LYS 40 1HG LYS 40 17.883 -4.078 5.717 275 HG3 LYS 40 2HG LYS 40 16.195 -3.749 6.115 276 HD2 LYS 40 1HD LYS 40 15.447 -5.666 4.951 277 HD3 LYS 40 2HD LYS 40 17.008 -5.883 4.156 278 HE2 LYS 40 1HE LYS 40 17.150 -7.477 5.795 279 HE3 LYS 40 2HE LYS 40 17.873 -6.100 6.626 280 HZ1 LYS 40 1HZ LYS 40 15.783 -5.668 7.712 281 HZ2 LYS 40 2HZ LYS 40 16.238 -7.272 7.997 282 HZ3 LYS 40 3HZ LYS 40 15.030 -6.925 6.866 283 H MET 41 H MET 41 12.794 -3.325 3.711 284 HA MET 41 HA MET 41 13.051 -5.940 2.390 285 HB2 MET 41 1HB MET 41 11.466 -6.942 3.828 286 HB3 MET 41 2HB MET 41 12.580 -6.086 4.885 287 HG2 MET 41 1HG MET 41 11.033 -4.415 5.367 288 HG3 MET 41 2HG MET 41 10.030 -4.815 3.975 289 HE1 MET 41 1HE MET 41 9.035 -6.900 3.583 290 HE2 MET 41 2HE MET 41 9.120 -8.301 4.650 291 HE3 MET 41 3HE MET 41 7.726 -7.222 4.720 292 HA PRO 42 HA PRO 42 10.011 -4.511 -0.438 293 HB2 PRO 42 1HB PRO 42 8.784 -6.842 -1.094 294 HB3 PRO 42 2HB PRO 42 10.412 -6.425 -1.643 295 HG2 PRO 42 1HG PRO 42 9.572 -8.187 0.626 296 HG3 PRO 42 2HG PRO 42 10.849 -8.445 -0.577 297 HD2 PRO 42 1HD PRO 42 11.366 -7.567 1.932 298 HD3 PRO 42 2HD PRO 42 12.341 -7.081 0.530 299 H VAL 43 H VAL 43 7.797 -4.065 -0.681 300 HA VAL 43 HA VAL 43 6.266 -4.292 1.781 301 HB VAL 43 HB VAL 43 5.484 -2.865 -0.761 302 HG11 VAL 43 1HG1 VAL 43 4.479 -2.766 2.074 303 HG12 VAL 43 2HG1 VAL 43 4.103 -1.527 0.875 304 HG13 VAL 43 3HG1 VAL 43 3.584 -3.193 0.616 305 HG21 VAL 43 1HG2 VAL 43 6.208 -0.863 0.842 306 HG22 VAL 43 2HG2 VAL 43 7.320 -2.096 1.435 307 HG23 VAL 43 3HG2 VAL 43 7.335 -1.641 -0.268 308 H ILE 44 H ILE 44 5.219 -6.168 2.027 309 HA ILE 44 HA ILE 44 3.644 -7.174 -0.253 310 HB ILE 44 HB ILE 44 4.974 -8.751 1.950 311 HG12 ILE 44 1HG1 ILE 44 5.823 -9.887 -0.315 312 HG13 ILE 44 2HG1 ILE 44 5.517 -8.270 -0.938 313 HG21 ILE 44 1HG2 ILE 44 2.818 -9.464 0.030 314 HG22 ILE 44 2HG2 ILE 44 4.039 -10.676 0.413 315 HG23 ILE 44 3HG2 ILE 44 3.059 -9.975 1.700 316 HD11 ILE 44 1HD1 ILE 44 7.289 -7.397 0.115 317 HD12 ILE 44 2HD1 ILE 44 7.038 -8.367 1.566 318 HD13 ILE 44 3HD1 ILE 44 7.843 -9.070 0.163 319 H VAL 45 H VAL 45 1.533 -7.719 0.088 320 HA VAL 45 HA VAL 45 0.043 -6.446 2.020 321 HB VAL 45 HB VAL 45 -0.663 -9.021 0.604 322 HG11 VAL 45 1HG1 VAL 45 -2.946 -7.457 1.117 323 HG12 VAL 45 2HG1 VAL 45 -2.529 -9.026 1.808 324 HG13 VAL 45 3HG1 VAL 45 -2.043 -7.542 2.628 325 HG21 VAL 45 1HG2 VAL 45 -1.210 -7.828 -1.221 326 HG22 VAL 45 2HG2 VAL 45 -1.842 -6.480 -0.277 327 HG23 VAL 45 3HG2 VAL 45 -0.107 -6.627 -0.551 328 H SER 46 H SER 46 -0.821 -6.980 3.996 329 HA SER 46 HA SER 46 0.425 -9.285 5.333 330 HB2 SER 46 1HB SER 46 -0.051 -8.061 7.447 331 HB3 SER 46 2HB SER 46 1.000 -7.156 6.358 332 HG SER 46 HG SER 46 -0.829 -5.953 5.713 333 H ARG 47 H ARG 47 -2.621 -7.437 5.277 334 HA ARG 47 HA ARG 47 -4.102 -9.937 5.520 335 HB2 ARG 47 1HB ARG 47 -3.649 -8.833 7.827 336 HB3 ARG 47 2HB ARG 47 -4.851 -7.653 7.319 337 HG2 ARG 47 1HG ARG 47 -5.546 -10.532 7.110 338 HG3 ARG 47 2HG ARG 47 -5.502 -9.793 8.712 339 HD2 ARG 47 1HD ARG 47 -7.021 -8.593 6.411 340 HD3 ARG 47 2HD ARG 47 -7.736 -9.775 7.507 341 HE ARG 47 HE ARG 47 -6.547 -7.518 8.838 342 HH11 ARG 47 2HH1 ARG 47 -9.419 -8.774 7.322 343 HH12 ARG 47 1HH1 ARG 47 -10.491 -7.712 8.174 344 HH21 ARG 47 2HH2 ARG 47 -7.948 -6.115 9.966 345 HH22 ARG 47 1HH2 ARG 47 -9.652 -6.199 9.677 346 H VAL 48 H VAL 48 -6.145 -9.877 4.623 347 HA VAL 48 HA VAL 48 -7.007 -7.317 3.454 348 HB VAL 48 HB VAL 48 -7.009 -9.987 2.038 349 HG11 VAL 48 1HG1 VAL 48 -8.020 -8.903 0.183 350 HG12 VAL 48 2HG1 VAL 48 -8.986 -8.489 1.601 351 HG13 VAL 48 3HG1 VAL 48 -7.850 -7.316 0.933 352 HG21 VAL 48 1HG2 VAL 48 -5.062 -7.887 2.200 353 HG22 VAL 48 2HG2 VAL 48 -4.967 -9.432 1.356 354 HG23 VAL 48 3HG2 VAL 48 -5.660 -8.027 0.547 355 H ALA 49 H ALA 49 -8.944 -6.816 4.217 356 HA ALA 49 HA ALA 49 -10.694 -8.896 5.258 357 HB1 ALA 49 1HB ALA 49 -11.658 -6.128 5.318 358 HB2 ALA 49 2HB ALA 49 -11.549 -7.323 6.611 359 HB3 ALA 49 3HB ALA 49 -10.125 -6.391 6.149 360 HA PRO 50 HA PRO 50 -13.426 -9.057 1.822 361 HB2 PRO 50 1HB PRO 50 -15.785 -9.555 3.070 362 HB3 PRO 50 2HB PRO 50 -14.504 -10.764 2.921 363 HG2 PRO 50 1HG PRO 50 -15.190 -9.008 5.247 364 HG3 PRO 50 2HG PRO 50 -14.760 -10.729 5.232 365 HD2 PRO 50 1HD PRO 50 -12.988 -8.790 5.889 366 HD3 PRO 50 2HD PRO 50 -12.502 -10.293 5.077 367 H GLY 51 H GLY 51 -15.953 -8.315 1.458 368 HA2 GLY 51 1HA GLY 51 -17.085 -6.428 0.741 369 HA3 GLY 51 2HA GLY 51 -17.075 -6.073 2.462 370 H THR 52 H THR 52 -14.291 -6.142 0.291 371 HA THR 52 HA THR 52 -14.036 -3.227 0.624 372 HB THR 52 HB THR 52 -11.558 -3.539 0.724 373 HG1 THR 52 1HG THR 52 -11.036 -5.809 1.488 374 HG21 THR 52 1HG2 THR 52 -13.500 -4.180 2.791 375 HG22 THR 52 2HG2 THR 52 -12.049 -3.181 2.878 376 HG23 THR 52 3HG2 THR 52 -11.932 -4.928 3.090 377 HA PRO 53 HA PRO 53 -13.449 -3.005 -3.724 378 HB2 PRO 53 1HB PRO 53 -11.807 -0.851 -3.910 379 HB3 PRO 53 2HB PRO 53 -13.519 -0.720 -3.490 380 HG2 PRO 53 1HG PRO 53 -11.123 -0.699 -1.696 381 HG3 PRO 53 2HG PRO 53 -12.568 0.327 -1.644 382 HD2 PRO 53 1HD PRO 53 -12.230 -1.799 -0.001 383 HD3 PRO 53 2HD PRO 53 -13.827 -1.285 -0.582 384 H ALA 54 H ALA 54 -11.095 -4.066 -1.683 385 HA ALA 54 HA ALA 54 -9.093 -4.331 -3.826 386 HB1 ALA 54 1HB ALA 54 -8.448 -4.913 -0.974 387 HB2 ALA 54 2HB ALA 54 -7.406 -4.316 -2.267 388 HB3 ALA 54 3HB ALA 54 -8.575 -3.236 -1.506 389 H ASP 55 H ASP 55 -11.455 -6.006 -2.137 390 HA ASP 55 HA ASP 55 -10.138 -8.595 -2.617 391 HB2 ASP 55 1HB ASP 55 -11.095 -7.842 -0.276 392 HB3 ASP 55 2HB ASP 55 -12.628 -8.351 -0.979 393 H LEU 56 H LEU 56 -12.745 -6.552 -3.531 394 HA LEU 56 HA LEU 56 -14.186 -8.715 -4.860 395 HB2 LEU 56 1HB LEU 56 -14.834 -5.774 -4.759 396 HB3 LEU 56 2HB LEU 56 -15.888 -7.066 -5.330 397 HG LEU 56 HG LEU 56 -14.917 -7.019 -2.494 398 HD11 LEU 56 1HD1 LEU 56 -17.494 -5.997 -2.476 399 HD12 LEU 56 2HD1 LEU 56 -16.674 -5.098 -3.752 400 HD13 LEU 56 3HD1 LEU 56 -16.007 -5.119 -2.120 401 HD21 LEU 56 1HD2 LEU 56 -17.311 -8.183 -3.907 402 HD22 LEU 56 2HD2 LEU 56 -17.081 -8.202 -2.159 403 HD23 LEU 56 3HD2 LEU 56 -15.951 -9.060 -3.207 404 H CYS 57 H CYS 57 -12.057 -6.061 -5.555 405 HA CYS 57 HA CYS 57 -12.588 -5.843 -8.330 406 HB2 CYS 57 1HB CYS 57 -10.601 -4.509 -8.448 407 HB3 CYS 57 2HB CYS 57 -11.403 -4.127 -6.930 408 HG CYS 57 HG CYS 57 -8.391 -5.479 -7.472 409 H VAL 58 H VAL 58 -10.918 -6.343 -10.021 410 HA VAL 58 HA VAL 58 -9.488 -8.851 -9.470 411 HB VAL 58 HB VAL 58 -11.268 -8.361 -11.862 412 HG11 VAL 58 1HG1 VAL 58 -9.026 -9.666 -12.118 413 HG12 VAL 58 2HG1 VAL 58 -9.901 -10.953 -11.285 414 HG13 VAL 58 3HG1 VAL 58 -10.509 -10.319 -12.815 415 HG21 VAL 58 1HG2 VAL 58 -12.010 -9.202 -9.374 416 HG22 VAL 58 2HG2 VAL 58 -12.865 -9.585 -10.869 417 HG23 VAL 58 3HG2 VAL 58 -11.703 -10.731 -10.199 418 HA PRO 59 HA PRO 59 -8.130 -10.207 -10.413 419 HB2 PRO 59 1HB PRO 59 -5.499 -10.371 -9.764 420 HB3 PRO 59 2HB PRO 59 -6.105 -10.666 -11.398 421 HG2 PRO 59 1HG PRO 59 -4.846 -8.199 -10.261 422 HG3 PRO 59 2HG PRO 59 -4.573 -8.972 -11.834 423 HD2 PRO 59 1HD PRO 59 -6.156 -6.796 -11.536 424 HD3 PRO 59 2HD PRO 59 -6.466 -8.042 -12.761 425 H ARG 60 H ARG 60 -8.577 -10.759 -8.363 426 HA ARG 60 HA ARG 60 -8.728 -8.905 -6.299 427 HB2 ARG 60 1HB ARG 60 -9.927 -11.129 -6.475 428 HB3 ARG 60 2HB ARG 60 -8.444 -11.882 -5.903 429 HG2 ARG 60 1HG ARG 60 -8.585 -10.711 -3.816 430 HG3 ARG 60 2HG ARG 60 -9.963 -9.770 -4.391 431 HD2 ARG 60 1HD ARG 60 -11.049 -11.383 -3.184 432 HD3 ARG 60 2HD ARG 60 -11.009 -12.152 -4.770 433 HE ARG 60 HE ARG 60 -8.782 -12.782 -3.035 434 HH11 ARG 60 2HH1 ARG 60 -11.958 -13.678 -4.144 435 HH12 ARG 60 1HH1 ARG 60 -11.793 -15.340 -3.681 436 HH21 ARG 60 2HH2 ARG 60 -8.553 -14.967 -2.421 437 HH22 ARG 60 1HH2 ARG 60 -9.856 -16.071 -2.700 438 H LEU 61 H LEU 61 -7.436 -8.351 -4.597 439 HA LEU 61 HA LEU 61 -4.618 -9.023 -4.861 440 HB2 LEU 61 1HB LEU 61 -5.336 -6.681 -4.572 441 HB3 LEU 61 2HB LEU 61 -5.990 -7.097 -2.989 442 HG LEU 61 HG LEU 61 -3.566 -7.812 -2.436 443 HD11 LEU 61 1HD1 LEU 61 -2.838 -7.628 -4.831 444 HD12 LEU 61 2HD1 LEU 61 -1.827 -6.770 -3.669 445 HD13 LEU 61 3HD1 LEU 61 -2.977 -5.877 -4.664 446 HD21 LEU 61 1HD2 LEU 61 -4.673 -5.051 -2.656 447 HD22 LEU 61 2HD2 LEU 61 -3.010 -5.277 -2.114 448 HD23 LEU 61 3HD2 LEU 61 -4.337 -6.019 -1.221 449 H ASN 62 H ASN 62 -4.433 -11.104 -4.081 450 HA ASN 62 HA ASN 62 -5.454 -11.743 -1.436 451 HB2 ASN 62 1HB ASN 62 -4.139 -13.316 -3.629 452 HB3 ASN 62 2HB ASN 62 -4.235 -13.979 -2.000 453 HD21 ASN 62 1HD2 ASN 62 -5.535 -14.609 -4.667 454 HD22 ASN 62 2HD2 ASN 62 -7.215 -14.742 -4.288 455 H GLU 63 H GLU 63 -3.930 -12.939 0.071 456 HA GLU 63 HA GLU 63 -1.840 -11.215 0.831 457 HB2 GLU 63 1HB GLU 63 -2.465 -14.049 1.669 458 HB3 GLU 63 2HB GLU 63 -1.237 -13.050 2.434 459 HG2 GLU 63 1HG GLU 63 -4.191 -12.492 2.332 460 HG3 GLU 63 2HG GLU 63 -3.265 -13.022 3.735 461 H GLY 64 H GLY 64 0.339 -11.270 0.536 462 HA2 GLY 64 1HA GLY 64 2.369 -12.489 0.020 463 HA3 GLY 64 2HA GLY 64 1.427 -13.486 -1.079 464 H ASP 65 H ASP 65 -0.006 -11.220 -2.227 465 HA ASP 65 HA ASP 65 1.580 -10.683 -4.427 466 HB2 ASP 65 1HB ASP 65 -0.741 -9.137 -3.269 467 HB3 ASP 65 2HB ASP 65 -0.002 -8.741 -4.819 468 H GLN 66 H GLN 66 3.598 -9.895 -4.167 469 HA GLN 66 HA GLN 66 4.173 -7.754 -2.332 470 HB2 GLN 66 1HB GLN 66 5.839 -9.478 -2.694 471 HB3 GLN 66 2HB GLN 66 5.880 -9.123 -4.416 472 HG2 GLN 66 1HG GLN 66 6.841 -6.959 -3.998 473 HG3 GLN 66 2HG GLN 66 6.681 -7.187 -2.257 474 HE21 GLN 66 1HE2 GLN 66 8.874 -7.099 -4.584 475 HE22 GLN 66 2HE2 GLN 66 10.034 -8.232 -3.990 476 H VAL 67 H VAL 67 3.960 -5.663 -2.743 477 HA VAL 67 HA VAL 67 3.294 -4.734 -5.382 478 HB VAL 67 HB VAL 67 3.804 -3.126 -2.876 479 HG11 VAL 67 1HG1 VAL 67 3.971 -1.788 -4.898 480 HG12 VAL 67 2HG1 VAL 67 2.411 -2.400 -5.451 481 HG13 VAL 67 3HG1 VAL 67 2.502 -1.384 -4.012 482 HG21 VAL 67 1HG2 VAL 67 1.449 -4.633 -3.859 483 HG22 VAL 67 2HG2 VAL 67 1.979 -4.308 -2.208 484 HG23 VAL 67 3HG2 VAL 67 1.154 -3.053 -3.132 485 H VAL 68 H VAL 68 4.768 -4.328 -6.882 486 HA VAL 68 HA VAL 68 7.520 -3.765 -6.142 487 HB VAL 68 HB VAL 68 6.285 -4.039 -8.886 488 HG11 VAL 68 1HG1 VAL 68 8.599 -2.809 -8.368 489 HG12 VAL 68 2HG1 VAL 68 9.172 -4.478 -8.411 490 HG13 VAL 68 3HG1 VAL 68 8.341 -3.793 -9.808 491 HG21 VAL 68 1HG2 VAL 68 7.993 -6.194 -8.314 492 HG22 VAL 68 2HG2 VAL 68 6.956 -5.998 -6.900 493 HG23 VAL 68 3HG2 VAL 68 6.239 -6.227 -8.495 494 H LEU 69 H LEU 69 4.772 -2.136 -7.607 495 HA LEU 69 HA LEU 69 5.978 0.431 -7.069 496 HB2 LEU 69 1HB LEU 69 5.237 -0.322 -9.892 497 HB3 LEU 69 2HB LEU 69 5.765 1.269 -9.347 498 HG LEU 69 HG LEU 69 7.482 -1.207 -9.238 499 HD11 LEU 69 1HD1 LEU 69 8.569 0.450 -11.125 500 HD12 LEU 69 2HD1 LEU 69 6.840 0.592 -11.443 501 HD13 LEU 69 3HD1 LEU 69 7.612 -0.994 -11.457 502 HD21 LEU 69 1HD2 LEU 69 9.086 0.063 -8.318 503 HD22 LEU 69 2HD2 LEU 69 7.750 1.114 -7.848 504 HD23 LEU 69 3HD2 LEU 69 8.680 1.468 -9.305 505 H ILE 70 H ILE 70 4.435 2.233 -7.774 506 HA ILE 70 HA ILE 70 1.639 1.338 -7.701 507 HB ILE 70 HB ILE 70 2.762 3.533 -5.955 508 HG12 ILE 70 1HG1 ILE 70 1.631 0.840 -5.169 509 HG13 ILE 70 2HG1 ILE 70 3.347 1.227 -5.215 510 HG21 ILE 70 1HG2 ILE 70 0.022 2.442 -5.621 511 HG22 ILE 70 2HG2 ILE 70 0.642 4.063 -5.310 512 HG23 ILE 70 3HG2 ILE 70 0.313 3.547 -6.964 513 HD11 ILE 70 1HD1 ILE 70 1.802 1.401 -3.016 514 HD12 ILE 70 2HD1 ILE 70 3.273 2.339 -3.272 515 HD13 ILE 70 3HD1 ILE 70 1.699 3.055 -3.618 516 H ASN 71 H ASN 71 0.318 2.427 -9.033 517 HA ASN 71 HA ASN 71 -0.157 3.706 -10.889 518 HB2 ASN 71 1HB ASN 71 -0.364 6.089 -10.321 519 HB3 ASN 71 2HB ASN 71 -0.952 5.067 -9.012 520 HD21 ASN 71 1HD2 ASN 71 -0.316 5.615 -7.065 521 HD22 ASN 71 2HD2 ASN 71 1.112 6.504 -6.670 522 H GLY 72 H GLY 72 2.620 2.787 -10.792 523 HA2 GLY 72 1HA GLY 72 4.414 3.050 -12.228 524 HA3 GLY 72 2HA GLY 72 3.659 4.512 -12.845 525 H ARG 73 H ARG 73 4.596 3.725 -9.518 526 HA ARG 73 HA ARG 73 6.664 5.804 -9.653 527 HB2 ARG 73 1HB ARG 73 4.417 5.613 -7.653 528 HB3 ARG 73 2HB ARG 73 5.895 6.508 -7.322 529 HG2 ARG 73 1HG ARG 73 4.431 7.104 -9.836 530 HG3 ARG 73 2HG ARG 73 3.755 7.680 -8.311 531 HD2 ARG 73 1HD ARG 73 6.007 8.684 -7.816 532 HD3 ARG 73 2HD ARG 73 6.468 8.284 -9.470 533 HE ARG 73 HE ARG 73 4.131 9.710 -9.686 534 HH11 ARG 73 2HH1 ARG 73 7.295 10.261 -8.343 535 HH12 ARG 73 1HH1 ARG 73 7.260 11.970 -8.623 536 HH21 ARG 73 2HH2 ARG 73 4.072 11.959 -10.061 537 HH22 ARG 73 1HH2 ARG 73 5.426 12.935 -9.600 538 H ASP 74 H ASP 74 8.443 5.469 -8.362 539 HA ASP 74 HA ASP 74 8.828 2.765 -7.435 540 HB2 ASP 74 1HB ASP 74 10.606 5.181 -7.662 541 HB3 ASP 74 2HB ASP 74 11.139 3.735 -6.808 542 H ILE 75 H ILE 75 7.444 2.576 -5.658 543 HA ILE 75 HA ILE 75 7.763 4.384 -3.410 544 HB ILE 75 HB ILE 75 6.000 3.104 -2.336 545 HG12 ILE 75 1HG1 ILE 75 4.934 1.308 -3.992 546 HG13 ILE 75 2HG1 ILE 75 6.603 1.184 -4.536 547 HG21 ILE 75 1HG2 ILE 75 4.718 4.500 -3.502 548 HG22 ILE 75 2HG2 ILE 75 5.746 4.361 -4.928 549 HG23 ILE 75 3HG2 ILE 75 4.466 3.181 -4.646 550 HD11 ILE 75 1HD1 ILE 75 5.566 -0.278 -2.545 551 HD12 ILE 75 2HD1 ILE 75 7.273 0.151 -2.657 552 HD13 ILE 75 3HD1 ILE 75 6.193 1.089 -1.625 553 H ALA 76 H ALA 76 9.978 2.610 -4.295 554 HA ALA 76 HA ALA 76 10.245 0.671 -2.156 555 HB1 ALA 76 1HB ALA 76 12.690 0.805 -3.421 556 HB2 ALA 76 2HB ALA 76 11.383 -0.318 -3.799 557 HB3 ALA 76 3HB ALA 76 11.543 1.187 -4.705 558 H GLU 77 H GLU 77 11.630 3.781 -3.093 559 HA GLU 77 HA GLU 77 13.400 3.803 -0.793 560 HB2 GLU 77 1HB GLU 77 14.317 5.801 -1.686 561 HB3 GLU 77 2HB GLU 77 14.029 4.738 -3.056 562 HG2 GLU 77 1HG GLU 77 11.904 6.672 -2.314 563 HG3 GLU 77 2HG GLU 77 13.357 7.283 -3.104 564 H HIS 78 H HIS 78 10.446 3.791 -0.483 565 HA HIS 78 HA HIS 78 10.211 6.259 1.108 566 HB2 HIS 78 1HB HIS 78 8.149 4.894 -0.612 567 HB3 HIS 78 2HB HIS 78 7.691 5.996 0.683 568 HD1 HIS 78 1HD HIS 78 8.919 5.910 -2.786 569 HD2 HIS 78 2HD HIS 78 8.524 8.712 0.256 570 HE1 HIS 78 1HE HIS 78 9.172 8.151 -3.899 571 HE2 HIS 78 2HE HIS 78 9.014 9.827 -2.026 572 H THR 79 H THR 79 9.901 5.941 3.208 573 HA THR 79 HA THR 79 9.754 3.340 4.320 574 HB THR 79 HB THR 79 9.388 4.540 6.495 575 HG1 THR 79 1HG THR 79 9.859 6.953 6.106 576 HG21 THR 79 1HG2 THR 79 11.637 6.018 5.318 577 HG22 THR 79 2HG2 THR 79 11.661 4.281 5.017 578 HG23 THR 79 3HG2 THR 79 11.607 4.889 6.671 579 H HIS 80 H HIS 80 8.081 2.471 5.681 580 HA HIS 80 HA HIS 80 5.654 2.094 4.631 581 HB2 HIS 80 1HB HIS 80 6.566 1.077 6.762 582 HB3 HIS 80 2HB HIS 80 5.976 2.505 7.607 583 HD1 HIS 80 1HD HIS 80 4.673 -0.405 5.564 584 HD2 HIS 80 2HD HIS 80 3.338 2.410 8.312 585 HE1 HIS 80 1HE HIS 80 2.319 -1.084 6.133 586 HE2 HIS 80 2HE HIS 80 1.503 0.682 7.733 587 H ASP 81 H ASP 81 6.144 4.564 7.163 588 HA ASP 81 HA ASP 81 3.706 5.775 7.137 589 HB2 ASP 81 1HB ASP 81 5.812 6.336 8.521 590 HB3 ASP 81 2HB ASP 81 6.212 7.440 7.207 591 H GLN 82 H GLN 82 6.415 6.525 4.961 592 HA GLN 82 HA GLN 82 5.090 8.541 3.508 593 HB2 GLN 82 1HB GLN 82 7.364 6.724 2.695 594 HB3 GLN 82 2HB GLN 82 6.841 8.134 1.783 595 HG2 GLN 82 1HG GLN 82 7.274 9.448 3.937 596 HG3 GLN 82 2HG GLN 82 8.165 8.021 4.464 597 HE21 GLN 82 1HE2 GLN 82 8.392 10.935 2.911 598 HE22 GLN 82 2HE2 GLN 82 9.893 10.697 2.089 599 H VAL 83 H VAL 83 5.748 5.158 2.580 600 HA VAL 83 HA VAL 83 4.377 5.041 0.215 601 HB VAL 83 HB VAL 83 4.575 2.916 2.350 602 HG11 VAL 83 1HG1 VAL 83 2.817 2.098 1.108 603 HG12 VAL 83 2HG1 VAL 83 3.378 2.856 -0.384 604 HG13 VAL 83 3HG1 VAL 83 4.195 1.422 0.240 605 HG21 VAL 83 1HG2 VAL 83 6.184 2.080 0.396 606 HG22 VAL 83 2HG2 VAL 83 6.287 3.816 0.104 607 HG23 VAL 83 3HG2 VAL 83 6.733 3.159 1.678 608 H VAL 84 H VAL 84 2.996 4.208 3.400 609 HA VAL 84 HA VAL 84 0.404 3.710 2.684 610 HB VAL 84 HB VAL 84 1.397 5.139 5.151 611 HG11 VAL 84 1HG1 VAL 84 -0.835 5.703 5.203 612 HG12 VAL 84 2HG1 VAL 84 -1.336 4.238 4.357 613 HG13 VAL 84 3HG1 VAL 84 -0.851 4.158 6.051 614 HG21 VAL 84 1HG2 VAL 84 1.381 2.384 4.273 615 HG22 VAL 84 2HG2 VAL 84 2.179 3.116 5.664 616 HG23 VAL 84 3HG2 VAL 84 0.503 2.585 5.789 617 H LEU 85 H LEU 85 1.879 6.875 3.287 618 HA LEU 85 HA LEU 85 -0.512 8.362 2.919 619 HB2 LEU 85 1HB LEU 85 2.387 8.981 3.102 620 HB3 LEU 85 2HB LEU 85 1.326 10.204 2.408 621 HG LEU 85 HG LEU 85 0.945 8.997 5.144 622 HD11 LEU 85 1HD1 LEU 85 1.845 11.789 4.847 623 HD12 LEU 85 2HD1 LEU 85 3.047 10.543 4.512 624 HD13 LEU 85 3HD1 LEU 85 2.239 10.590 6.079 625 HD21 LEU 85 1HD2 LEU 85 -0.190 11.567 4.865 626 HD22 LEU 85 2HD2 LEU 85 -1.018 10.027 5.094 627 HD23 LEU 85 3HD2 LEU 85 -0.692 10.620 3.465 628 H PHE 86 H PHE 86 2.208 7.564 0.790 629 HA PHE 86 HA PHE 86 1.657 9.041 -1.431 630 HB2 PHE 86 1HB PHE 86 3.472 7.208 -0.991 631 HB3 PHE 86 2HB PHE 86 2.317 6.137 -1.778 632 HD1 PHE 86 2HD PHE 86 1.241 7.473 -3.975 633 HD2 PHE 86 1HD PHE 86 5.170 7.843 -2.379 634 HE1 PHE 86 2HE PHE 86 2.062 8.205 -6.176 635 HE2 PHE 86 1HE PHE 86 5.997 8.577 -4.577 636 HZ PHE 86 HZ PHE 86 4.443 8.758 -6.479 637 H ILE 87 H ILE 87 0.410 5.733 -0.942 638 HA ILE 87 HA ILE 87 -1.282 5.553 -3.080 639 HB ILE 87 HB ILE 87 -1.829 4.521 -0.294 640 HG12 ILE 87 1HG1 ILE 87 -0.785 2.837 -2.528 641 HG13 ILE 87 2HG1 ILE 87 0.337 3.910 -1.699 642 HG21 ILE 87 1HG2 ILE 87 -3.605 4.605 -2.355 643 HG22 ILE 87 2HG2 ILE 87 -2.851 3.031 -2.600 644 HG23 ILE 87 3HG2 ILE 87 -3.621 3.409 -1.059 645 HD11 ILE 87 1HD1 ILE 87 -1.173 1.569 -0.622 646 HD12 ILE 87 2HD1 ILE 87 0.557 1.910 -0.562 647 HD13 ILE 87 3HD1 ILE 87 -0.559 2.825 0.452 648 H LYS 88 H LYS 88 -2.101 6.875 0.122 649 HA LYS 88 HA LYS 88 -4.752 7.531 -0.362 650 HB2 LYS 88 1HB LYS 88 -2.672 8.811 1.404 651 HB3 LYS 88 2HB LYS 88 -4.342 9.364 1.374 652 HG2 LYS 88 1HG LYS 88 -5.145 7.386 2.297 653 HG3 LYS 88 2HG LYS 88 -3.681 6.489 1.885 654 HD2 LYS 88 1HD LYS 88 -2.461 7.443 3.624 655 HD3 LYS 88 2HD LYS 88 -3.574 8.803 3.787 656 HE2 LYS 88 1HE LYS 88 -4.615 6.062 4.286 657 HE3 LYS 88 2HE LYS 88 -3.568 6.788 5.504 658 HZ1 LYS 88 1HZ LYS 88 -5.984 8.125 4.422 659 HZ2 LYS 88 2HZ LYS 88 -5.059 8.597 5.757 660 HZ3 LYS 88 3HZ LYS 88 -5.990 7.186 5.830 661 H ALA 89 H ALA 89 -1.859 9.549 -0.837 662 HA ALA 89 HA ALA 89 -2.800 11.928 -1.603 663 HB1 ALA 89 1HB ALA 89 -0.444 10.490 -2.098 664 HB2 ALA 89 2HB ALA 89 -0.968 11.124 -3.659 665 HB3 ALA 89 3HB ALA 89 -0.714 12.221 -2.302 666 H SER 90 H SER 90 -2.619 9.160 -3.845 667 HA SER 90 HA SER 90 -3.569 10.112 -6.149 668 HB2 SER 90 1HB SER 90 -3.182 7.662 -5.469 669 HB3 SER 90 2HB SER 90 -4.876 7.660 -4.979 670 HG SER 90 HG SER 90 -4.540 6.949 -7.156 671 H CYS 91 H CYS 91 -5.639 9.352 -3.365 672 HA CYS 91 HA CYS 91 -8.130 9.803 -4.332 673 HB2 CYS 91 1HB CYS 91 -6.985 10.726 -1.692 674 HB3 CYS 91 2HB CYS 91 -8.704 10.736 -2.067 675 HG CYS 91 HG CYS 91 -8.103 7.774 -2.776 676 H GLU 92 H GLU 92 -5.966 12.356 -3.107 677 HA GLU 92 HA GLU 92 -7.404 14.598 -3.359 678 HB2 GLU 92 1HB GLU 92 -4.568 14.082 -4.217 679 HB3 GLU 92 2HB GLU 92 -5.275 15.688 -4.321 680 HG2 GLU 92 1HG GLU 92 -5.896 15.184 -1.803 681 HG3 GLU 92 2HG GLU 92 -4.515 14.098 -1.938 682 H ARG 93 H ARG 93 -5.586 13.286 -6.138 683 HA ARG 93 HA ARG 93 -7.126 14.912 -7.970 684 HB2 ARG 93 1HB ARG 93 -5.656 14.086 -9.680 685 HB3 ARG 93 2HB ARG 93 -4.684 14.488 -8.271 686 HG2 ARG 93 1HG ARG 93 -4.816 12.030 -7.660 687 HG3 ARG 93 2HG ARG 93 -5.453 11.772 -9.285 688 HD2 ARG 93 1HD ARG 93 -3.446 12.741 -10.250 689 HD3 ARG 93 2HD ARG 93 -2.818 13.088 -8.639 690 HE ARG 93 HE ARG 93 -2.187 10.892 -8.445 691 HH11 ARG 93 2HH1 ARG 93 -4.360 11.235 -11.143 692 HH12 ARG 93 1HH1 ARG 93 -4.105 9.622 -11.721 693 HH21 ARG 93 2HH2 ARG 93 -1.843 8.766 -9.196 694 HH22 ARG 93 1HH2 ARG 93 -2.674 8.218 -10.612 695 H HIS 94 H HIS 94 -8.830 14.281 -9.141 696 HA HIS 94 HA HIS 94 -10.005 11.708 -8.636 697 HB2 HIS 94 1HB HIS 94 -11.138 14.056 -9.074 698 HB3 HIS 94 2HB HIS 94 -11.047 13.539 -10.755 699 HD1 HIS 94 1HD HIS 94 -12.624 11.672 -11.506 700 HD2 HIS 94 2HD HIS 94 -12.908 12.558 -7.457 701 HE1 HIS 94 1HE HIS 94 -14.686 10.480 -10.700 702 HE2 HIS 94 2HE HIS 94 -14.885 11.101 -8.267 703 H SER 95 H SER 95 -8.976 13.384 -11.613 704 HA SER 95 HA SER 95 -9.333 11.308 -13.397 705 HB2 SER 95 1HB SER 95 -7.169 13.426 -13.418 706 HB3 SER 95 2HB SER 95 -7.616 12.423 -14.798 707 HG SER 95 HG SER 95 -9.820 13.328 -14.385 708 H GLY 96 H GLY 96 -8.722 9.286 -12.790 709 HA2 GLY 96 1HA GLY 96 -6.566 7.982 -13.344 710 HA3 GLY 96 2HA GLY 96 -5.923 8.880 -11.977 711 H GLU 97 H GLU 97 -6.074 6.037 -12.197 712 HA GLU 97 HA GLU 97 -7.960 5.462 -10.007 713 HB2 GLU 97 1HB GLU 97 -8.299 3.251 -10.870 714 HB3 GLU 97 2HB GLU 97 -8.584 4.392 -12.177 715 HG2 GLU 97 1HG GLU 97 -6.351 3.937 -13.060 716 HG3 GLU 97 2HG GLU 97 -6.075 2.783 -11.756 717 H LEU 98 H LEU 98 -7.272 3.370 -8.825 718 HA LEU 98 HA LEU 98 -4.497 3.746 -8.023 719 HB2 LEU 98 1HB LEU 98 -6.569 3.534 -6.470 720 HB3 LEU 98 2HB LEU 98 -6.385 1.805 -6.753 721 HG LEU 98 HG LEU 98 -5.353 2.478 -4.651 722 HD11 LEU 98 1HD1 LEU 98 -4.330 0.781 -6.428 723 HD12 LEU 98 2HD1 LEU 98 -3.553 1.119 -4.881 724 HD13 LEU 98 3HD1 LEU 98 -2.989 1.925 -6.345 725 HD21 LEU 98 1HD2 LEU 98 -3.826 4.150 -4.408 726 HD22 LEU 98 2HD2 LEU 98 -4.751 4.808 -5.758 727 HD23 LEU 98 3HD2 LEU 98 -3.217 3.988 -6.055 728 H MET 99 H MET 99 -3.098 2.681 -9.293 729 HA MET 99 HA MET 99 -3.695 -0.120 -9.972 730 HB2 MET 99 1HB MET 99 -2.095 2.009 -11.347 731 HB3 MET 99 2HB MET 99 -1.729 0.314 -11.640 732 HG2 MET 99 1HG MET 99 -3.835 -0.092 -12.586 733 HG3 MET 99 2HG MET 99 -4.498 1.414 -11.957 734 HE1 MET 99 1HE MET 99 -5.149 1.042 -15.055 735 HE2 MET 99 2HE MET 99 -3.723 0.968 -16.090 736 HE3 MET 99 3HE MET 99 -3.982 -0.265 -14.854 737 H LEU 100 H LEU 100 -2.417 -1.712 -9.231 738 HA LEU 100 HA LEU 100 0.123 -0.970 -7.944 739 HB2 LEU 100 1HB LEU 100 -1.766 -3.072 -6.910 740 HB3 LEU 100 2HB LEU 100 -0.291 -2.487 -6.144 741 HG LEU 100 HG LEU 100 -2.568 -0.608 -6.625 742 HD11 LEU 100 1HD1 LEU 100 -2.489 -1.868 -3.983 743 HD12 LEU 100 2HD1 LEU 100 -3.020 -2.932 -5.285 744 HD13 LEU 100 3HD1 LEU 100 -3.866 -1.414 -4.988 745 HD21 LEU 100 1HD2 LEU 100 -0.323 -0.807 -4.627 746 HD22 LEU 100 2HD2 LEU 100 -1.634 0.367 -4.514 747 HD23 LEU 100 3HD2 LEU 100 -0.536 0.400 -5.895 748 H LEU 101 H LEU 101 1.726 -1.901 -9.019 749 HA LEU 101 HA LEU 101 1.277 -4.273 -10.612 750 HB2 LEU 101 1HB LEU 101 2.715 -2.250 -11.240 751 HB3 LEU 101 2HB LEU 101 3.920 -2.928 -10.147 752 HG LEU 101 HG LEU 101 3.822 -5.028 -11.567 753 HD11 LEU 101 1HD1 LEU 101 2.745 -5.074 -13.583 754 HD12 LEU 101 2HD1 LEU 101 2.755 -3.320 -13.757 755 HD13 LEU 101 3HD1 LEU 101 1.618 -4.089 -12.651 756 HD21 LEU 101 1HD2 LEU 101 4.751 -2.607 -13.084 757 HD22 LEU 101 2HD2 LEU 101 5.455 -4.223 -13.052 758 HD23 LEU 101 3HD2 LEU 101 5.574 -3.181 -11.634 759 H VAL 102 H VAL 102 1.084 -6.083 -9.411 760 HA VAL 102 HA VAL 102 3.168 -6.633 -7.404 761 HB VAL 102 HB VAL 102 1.660 -8.167 -6.337 762 HG11 VAL 102 1HG1 VAL 102 -0.134 -5.850 -6.905 763 HG12 VAL 102 2HG1 VAL 102 0.229 -6.643 -5.371 764 HG13 VAL 102 3HG1 VAL 102 1.419 -5.575 -6.117 765 HG21 VAL 102 1HG2 VAL 102 -0.595 -8.588 -7.153 766 HG22 VAL 102 2HG2 VAL 102 -0.297 -7.555 -8.551 767 HG23 VAL 102 3HG2 VAL 102 0.600 -9.061 -8.361 768 H ARG 103 H ARG 103 4.277 -8.571 -7.436 769 HA ARG 103 HA ARG 103 4.256 -9.954 -10.007 770 HB2 ARG 103 1HB ARG 103 6.357 -11.046 -8.992 771 HB3 ARG 103 2HB ARG 103 6.439 -9.347 -9.435 772 HG2 ARG 103 1HG ARG 103 6.344 -8.644 -7.202 773 HG3 ARG 103 2HG ARG 103 5.785 -10.221 -6.643 774 HD2 ARG 103 1HD ARG 103 8.492 -9.719 -7.870 775 HD3 ARG 103 2HD ARG 103 8.180 -9.730 -6.134 776 HE ARG 103 HE ARG 103 7.212 -12.124 -7.150 777 HH11 ARG 103 2HH1 ARG 103 10.269 -10.484 -6.850 778 HH12 ARG 103 1HH1 ARG 103 11.192 -11.947 -6.757 779 HH21 ARG 103 2HH2 ARG 103 8.417 -14.057 -7.028 780 HH22 ARG 103 1HH2 ARG 103 10.138 -13.978 -6.858 781 HA PRO 104 HA PRO 104 2.062 -13.421 -8.381 782 HB2 PRO 104 1HB PRO 104 2.698 -15.212 -10.320 783 HB3 PRO 104 2HB PRO 104 1.533 -13.905 -10.563 784 HG2 PRO 104 1HG PRO 104 4.413 -14.050 -11.367 785 HG3 PRO 104 2HG PRO 104 3.022 -13.447 -12.289 786 HD2 PRO 104 1HD PRO 104 4.750 -11.798 -11.014 787 HD3 PRO 104 2HD PRO 104 3.029 -11.411 -11.208 788 H ASN 105 H ASN 105 2.427 -15.555 -7.535 789 HA ASN 105 HA ASN 105 5.265 -16.103 -6.955 790 HB2 ASN 105 1HB ASN 105 3.815 -15.325 -5.016 791 HB3 ASN 105 2HB ASN 105 2.945 -16.849 -5.172 792 HD21 ASN 105 1HD2 ASN 105 3.523 -17.897 -3.379 793 HD22 ASN 105 2HD2 ASN 105 5.150 -18.268 -2.929 794 H ALA 106 H ALA 106 5.401 -17.475 -8.796 795 HA ALA 106 HA ALA 106 3.678 -19.770 -9.025 796 HB1 ALA 106 1HB ALA 106 4.365 -19.589 -11.127 797 HB2 ALA 106 2HB ALA 106 5.622 -18.441 -10.666 798 HB3 ALA 106 3HB ALA 106 5.949 -20.173 -10.617 799 H VAL 107 H VAL 107 3.892 -21.591 -7.919 800 HA VAL 107 HA VAL 107 6.394 -22.878 -7.508 801 HB VAL 107 HB VAL 107 6.553 -21.152 -5.737 802 HG11 VAL 107 1HG1 VAL 107 4.961 -20.760 -4.192 803 HG12 VAL 107 2HG1 VAL 107 3.896 -21.497 -5.391 804 HG13 VAL 107 3HG1 VAL 107 4.524 -22.463 -4.056 805 HG21 VAL 107 1HG2 VAL 107 7.150 -23.814 -5.585 806 HG22 VAL 107 2HG2 VAL 107 7.664 -22.591 -4.423 807 HG23 VAL 107 3HG2 VAL 107 6.224 -23.558 -4.105 808 H TYR 108 H TYR 108 6.108 -25.017 -7.152 809 HA TYR 108 HA TYR 108 3.510 -26.115 -7.390 810 HB2 TYR 108 1HB TYR 108 6.210 -27.316 -6.807 811 HB3 TYR 108 2HB TYR 108 4.751 -28.299 -6.858 812 HD1 TYR 108 2HD TYR 108 6.004 -25.496 -8.994 813 HD2 TYR 108 1HD TYR 108 4.721 -29.548 -8.797 814 HE1 TYR 108 2HE TYR 108 6.216 -25.676 -11.437 815 HE2 TYR 108 1HE TYR 108 4.931 -29.740 -11.240 816 HH TYR 108 HH TYR 108 5.917 -26.962 -13.222 817 H ASP 109 H ASP 109 2.134 -26.958 -5.913 818 HA ASP 109 HA ASP 109 2.971 -26.918 -3.090 819 HB2 ASP 109 1HB ASP 109 0.477 -25.809 -4.349 820 HB3 ASP 109 2HB ASP 109 0.483 -26.318 -2.662 821 H VAL 110 H VAL 110 3.137 -29.022 -2.602 822 HA VAL 110 HA VAL 110 0.822 -30.745 -3.202 823 HB VAL 110 HB VAL 110 3.727 -31.577 -3.169 824 HG11 VAL 110 1HG1 VAL 110 1.590 -33.117 -2.459 825 HG12 VAL 110 2HG1 VAL 110 1.722 -33.452 -4.186 826 HG13 VAL 110 3HG1 VAL 110 3.103 -33.730 -3.124 827 HG21 VAL 110 1HG2 VAL 110 1.803 -31.629 -5.484 828 HG22 VAL 110 2HG2 VAL 110 2.910 -30.291 -5.178 829 HG23 VAL 110 3HG2 VAL 110 3.546 -31.901 -5.513 830 H VAL 111 H VAL 111 -0.066 -31.750 -1.508 831 HA VAL 111 HA VAL 111 1.499 -32.046 0.959 832 HB VAL 111 HB VAL 111 0.090 -30.006 1.149 833 HG11 VAL 111 1HG1 VAL 111 -2.137 -29.961 0.787 834 HG12 VAL 111 2HG1 VAL 111 -1.787 -31.364 -0.226 835 HG13 VAL 111 3HG1 VAL 111 -2.381 -31.589 1.419 836 HG21 VAL 111 1HG2 VAL 111 0.222 -32.238 2.942 837 HG22 VAL 111 2HG2 VAL 111 0.222 -30.513 3.309 838 HG23 VAL 111 3HG2 VAL 111 -1.305 -31.383 3.161 839 H GLU 112 H GLU 112 1.023 -33.839 2.182 840 HA GLU 112 HA GLU 112 -1.285 -35.470 1.610 841 HB2 GLU 112 1HB GLU 112 0.515 -36.016 -0.146 842 HB3 GLU 112 2HB GLU 112 1.403 -36.754 1.180 843 HG2 GLU 112 1HG GLU 112 0.023 -38.317 -0.207 844 HG3 GLU 112 2HG GLU 112 -0.273 -38.377 1.530 845 H GLU 113 H GLU 113 -1.787 -36.846 3.270 846 HA GLU 113 HA GLU 113 0.072 -37.671 5.257 847 HB2 GLU 113 1HB GLU 113 -0.252 -35.235 5.826 848 HB3 GLU 113 2HB GLU 113 -1.937 -35.607 6.164 849 HG2 GLU 113 1HG GLU 113 -1.243 -37.173 7.905 850 HG3 GLU 113 2HG GLU 113 0.446 -36.795 7.569 851 H SER 114 H SER 114 -0.696 -39.679 5.416 852 HA SER 114 HA SER 114 -3.577 -40.021 5.940 853 HB2 SER 114 1HB SER 114 -2.495 -40.937 3.721 854 HB3 SER 114 2HB SER 114 -1.930 -42.235 4.773 855 HG SER 114 HG SER 114 -4.616 -41.499 4.943 856 H GLY 115 H GLY 115 -4.170 -41.769 7.352 857 HA2 GLY 115 1HA GLY 115 -1.979 -42.625 9.140 858 HA3 GLY 115 2HA GLY 115 -3.512 -42.040 9.770 859 HA PRO 116 HA PRO 116 -3.481 -46.721 8.617 860 HB2 PRO 116 1HB PRO 116 -2.540 -47.833 10.908 861 HB3 PRO 116 2HB PRO 116 -1.496 -47.411 9.545 862 HG2 PRO 116 1HG PRO 116 -2.005 -45.902 12.080 863 HG3 PRO 116 2HG PRO 116 -0.472 -46.185 11.236 864 HD2 PRO 116 1HD PRO 116 -1.834 -43.853 11.038 865 HD3 PRO 116 2HD PRO 116 -0.858 -44.505 9.706 866 H SER 117 H SER 117 -4.521 -48.500 10.145 867 HA SER 117 HA SER 117 -6.780 -47.183 11.494 868 HB2 SER 117 1HB SER 117 -7.492 -48.497 9.592 869 HB3 SER 117 2HB SER 117 -6.589 -49.897 10.169 870 HG SER 117 HG SER 117 -8.501 -48.772 11.866 871 H SER 118 H SER 118 -6.810 -47.291 13.629 872 HA SER 118 HA SER 118 -5.019 -48.468 15.288 873 HB2 SER 118 1HB SER 118 -7.134 -46.950 15.765 874 HB3 SER 118 2HB SER 118 -7.873 -48.496 16.181 875 HG SER 118 HG SER 118 -5.694 -48.656 17.432 876 H GLY 119 H GLY 119 -8.186 -49.917 14.492 877 HA2 GLY 119 1HA GLY 119 -8.811 -52.121 14.289 878 HA3 GLY 119 2HA GLY 119 -7.104 -52.530 14.200 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -5.135 13.181 -21.084 2 HA2 GLY 1 1HA GLY 1 -3.158 12.989 -19.926 3 HA3 GLY 1 2HA GLY 1 -3.548 14.515 -19.148 4 H SER 2 H SER 2 -5.929 13.808 -17.873 5 HA SER 2 HA SER 2 -4.859 12.354 -15.625 6 HB2 SER 2 1HB SER 2 -7.313 13.958 -16.168 7 HB3 SER 2 2HB SER 2 -7.377 12.780 -14.858 8 HG SER 2 HG SER 2 -6.463 14.325 -13.759 9 H SER 3 H SER 3 -7.673 11.947 -17.773 10 HA SER 3 HA SER 3 -7.799 9.125 -16.955 11 HB2 SER 3 1HB SER 3 -9.871 10.992 -18.108 12 HB3 SER 3 2HB SER 3 -10.107 9.245 -18.059 13 HG SER 3 HG SER 3 -9.466 9.638 -15.690 14 H GLY 4 H GLY 4 -6.939 7.706 -18.310 15 HA2 GLY 4 1HA GLY 4 -7.578 7.297 -20.936 16 HA3 GLY 4 2HA GLY 4 -6.233 8.427 -20.999 17 H SER 5 H SER 5 -7.154 5.180 -20.730 18 HA SER 5 HA SER 5 -4.604 4.301 -19.635 19 HB2 SER 5 1HB SER 5 -7.009 3.263 -19.246 20 HB3 SER 5 2HB SER 5 -6.624 2.386 -20.726 21 HG SER 5 HG SER 5 -5.205 2.381 -18.275 22 H SER 6 H SER 6 -3.090 3.075 -20.751 23 HA SER 6 HA SER 6 -3.349 3.152 -23.686 24 HB2 SER 6 1HB SER 6 -0.924 3.483 -21.919 25 HB3 SER 6 2HB SER 6 -0.800 3.161 -23.648 26 HG SER 6 HG SER 6 -2.409 5.094 -23.641 27 H GLY 7 H GLY 7 -1.642 1.523 -24.676 28 HA2 GLY 7 1HA GLY 7 -1.354 -0.935 -23.182 29 HA3 GLY 7 2HA GLY 7 -2.550 -1.016 -24.467 30 H ASN 8 H ASN 8 -1.567 -2.345 -25.894 31 HA ASN 8 HA ASN 8 0.656 -1.273 -27.384 32 HB2 ASN 8 1HB ASN 8 0.989 -3.982 -26.083 33 HB3 ASN 8 2HB ASN 8 2.167 -3.124 -27.072 34 HD21 ASN 8 1HD2 ASN 8 3.416 -1.555 -26.172 35 HD22 ASN 8 2HD2 ASN 8 3.427 -1.194 -24.483 36 H GLY 9 H GLY 9 1.205 -2.708 -29.269 37 HA2 GLY 9 1HA GLY 9 -1.256 -3.599 -30.483 38 HA3 GLY 9 2HA GLY 9 0.325 -3.535 -31.249 39 H GLY 10 H GLY 10 -1.538 -5.661 -31.523 40 HA2 GLY 10 1HA GLY 10 -1.583 -7.956 -31.510 41 HA3 GLY 10 2HA GLY 10 0.137 -7.874 -31.161 42 H ILE 11 H ILE 11 -1.006 -9.946 -30.074 43 HA ILE 11 HA ILE 11 -2.414 -9.800 -27.723 44 HB ILE 11 HB ILE 11 -1.243 -11.893 -27.033 45 HG12 ILE 11 1HG1 ILE 11 0.313 -11.446 -29.590 46 HG13 ILE 11 2HG1 ILE 11 0.972 -11.346 -27.961 47 HG21 ILE 11 1HG2 ILE 11 -1.931 -12.163 -29.925 48 HG22 ILE 11 2HG2 ILE 11 -2.367 -13.196 -28.564 49 HG23 ILE 11 3HG2 ILE 11 -3.165 -11.638 -28.779 50 HD11 ILE 11 1HD1 ILE 11 0.368 -13.687 -29.617 51 HD12 ILE 11 2HD1 ILE 11 1.576 -13.465 -28.351 52 HD13 ILE 11 3HD1 ILE 11 -0.096 -13.826 -27.922 53 HA PRO 12 HA PRO 12 0.141 -7.744 -24.788 54 HB2 PRO 12 1HB PRO 12 -0.877 -8.795 -22.501 55 HB3 PRO 12 2HB PRO 12 -1.739 -7.598 -23.475 56 HG2 PRO 12 1HG PRO 12 -2.075 -10.571 -23.396 57 HG3 PRO 12 2HG PRO 12 -3.316 -9.306 -23.444 58 HD2 PRO 12 1HD PRO 12 -2.569 -10.698 -25.643 59 HD3 PRO 12 2HD PRO 12 -3.101 -9.006 -25.719 60 H HIS 13 H HIS 13 -0.377 -11.202 -24.063 61 HA HIS 13 HA HIS 13 1.005 -12.775 -23.142 62 HB2 HIS 13 1HB HIS 13 1.907 -12.196 -25.558 63 HB3 HIS 13 2HB HIS 13 3.292 -11.587 -24.657 64 HD1 HIS 13 1HD HIS 13 3.273 -14.129 -26.571 65 HD2 HIS 13 2HD HIS 13 3.115 -14.166 -22.419 66 HE1 HIS 13 1HE HIS 13 4.139 -16.388 -25.885 67 HE2 HIS 13 2HE HIS 13 3.954 -16.419 -23.374 68 H ASP 14 H ASP 14 0.815 -10.242 -21.692 69 HA ASP 14 HA ASP 14 3.334 -9.439 -20.709 70 HB2 ASP 14 1HB ASP 14 2.160 -8.167 -19.123 71 HB3 ASP 14 2HB ASP 14 1.058 -8.253 -20.494 72 H ASN 15 H ASN 15 3.642 -9.594 -18.157 73 HA ASN 15 HA ASN 15 3.362 -12.422 -17.389 74 HB2 ASN 15 1HB ASN 15 5.687 -11.798 -18.187 75 HB3 ASN 15 2HB ASN 15 5.797 -10.743 -16.781 76 HD21 ASN 15 1HD2 ASN 15 5.922 -13.962 -17.948 77 HD22 ASN 15 2HD2 ASN 15 6.322 -14.726 -16.451 78 H LEU 16 H LEU 16 4.218 -9.197 -16.134 79 HA LEU 16 HA LEU 16 3.643 -9.778 -13.440 80 HB2 LEU 16 1HB LEU 16 3.945 -7.274 -15.036 81 HB3 LEU 16 2HB LEU 16 3.330 -7.180 -13.388 82 HG LEU 16 HG LEU 16 5.660 -6.726 -13.309 83 HD11 LEU 16 1HD1 LEU 16 5.805 -9.557 -12.488 84 HD12 LEU 16 2HD1 LEU 16 4.505 -8.598 -11.780 85 HD13 LEU 16 3HD1 LEU 16 6.182 -8.089 -11.587 86 HD21 LEU 16 1HD2 LEU 16 6.415 -7.572 -15.398 87 HD22 LEU 16 2HD2 LEU 16 5.969 -9.222 -14.965 88 HD23 LEU 16 3HD2 LEU 16 7.310 -8.426 -14.141 89 H VAL 17 H VAL 17 1.875 -9.028 -12.136 90 HA VAL 17 HA VAL 17 -0.673 -9.099 -13.596 91 HB VAL 17 HB VAL 17 -0.085 -9.629 -10.680 92 HG11 VAL 17 1HG1 VAL 17 -2.230 -8.897 -10.500 93 HG12 VAL 17 2HG1 VAL 17 -2.617 -9.271 -12.180 94 HG13 VAL 17 3HG1 VAL 17 -2.558 -10.562 -10.979 95 HG21 VAL 17 1HG2 VAL 17 -0.492 -11.362 -13.069 96 HG22 VAL 17 2HG2 VAL 17 0.645 -11.535 -11.733 97 HG23 VAL 17 3HG2 VAL 17 -1.058 -11.928 -11.498 98 H LEU 18 H LEU 18 -1.985 -7.386 -13.647 99 HA LEU 18 HA LEU 18 -1.218 -5.021 -12.092 100 HB2 LEU 18 1HB LEU 18 -1.308 -4.620 -14.442 101 HB3 LEU 18 2HB LEU 18 -2.899 -5.366 -14.564 102 HG LEU 18 HG LEU 18 -3.686 -3.440 -13.047 103 HD11 LEU 18 1HD1 LEU 18 -0.895 -2.712 -13.553 104 HD12 LEU 18 2HD1 LEU 18 -1.994 -2.190 -12.278 105 HD13 LEU 18 3HD1 LEU 18 -2.057 -1.423 -13.865 106 HD21 LEU 18 1HD2 LEU 18 -3.996 -3.814 -15.589 107 HD22 LEU 18 2HD2 LEU 18 -2.800 -2.529 -15.756 108 HD23 LEU 18 3HD2 LEU 18 -4.317 -2.218 -14.911 109 H ILE 19 H ILE 19 -2.568 -4.060 -10.657 110 HA ILE 19 HA ILE 19 -5.129 -5.421 -10.145 111 HB ILE 19 HB ILE 19 -3.449 -3.828 -8.206 112 HG12 ILE 19 1HG1 ILE 19 -2.532 -6.077 -8.971 113 HG13 ILE 19 2HG1 ILE 19 -2.764 -5.883 -7.237 114 HG21 ILE 19 1HG2 ILE 19 -5.411 -3.639 -7.141 115 HG22 ILE 19 2HG2 ILE 19 -6.171 -4.894 -8.119 116 HG23 ILE 19 3HG2 ILE 19 -5.176 -5.338 -6.732 117 HD11 ILE 19 1HD1 ILE 19 -4.869 -7.151 -8.940 118 HD12 ILE 19 2HD1 ILE 19 -3.495 -8.076 -8.332 119 HD13 ILE 19 3HD1 ILE 19 -4.603 -7.297 -7.203 120 H ARG 20 H ARG 20 -6.895 -4.313 -10.630 121 HA ARG 20 HA ARG 20 -6.752 -1.370 -10.647 122 HB2 ARG 20 1HB ARG 20 -8.236 -3.305 -12.401 123 HB3 ARG 20 2HB ARG 20 -8.788 -1.644 -12.228 124 HG2 ARG 20 1HG ARG 20 -6.273 -1.113 -12.816 125 HG3 ARG 20 2HG ARG 20 -6.361 -2.710 -13.561 126 HD2 ARG 20 1HD ARG 20 -8.395 -0.563 -14.097 127 HD3 ARG 20 2HD ARG 20 -6.913 -0.715 -15.039 128 HE ARG 20 HE ARG 20 -8.305 -3.185 -14.926 129 HH11 ARG 20 2HH1 ARG 20 -8.353 -0.053 -16.446 130 HH12 ARG 20 1HH1 ARG 20 -9.173 -0.611 -17.867 131 HH21 ARG 20 2HH2 ARG 20 -9.385 -3.931 -16.792 132 HH22 ARG 20 1HH2 ARG 20 -9.761 -2.816 -18.062 133 H MET 21 H MET 21 -8.036 -0.301 -9.288 134 HA MET 21 HA MET 21 -10.593 -1.339 -8.470 135 HB2 MET 21 1HB MET 21 -10.132 -1.420 -6.089 136 HB3 MET 21 2HB MET 21 -9.060 -2.525 -6.940 137 HG2 MET 21 1HG MET 21 -7.223 -1.011 -6.729 138 HG3 MET 21 2HG MET 21 -8.273 0.245 -6.076 139 HE1 MET 21 1HE MET 21 -6.684 -3.462 -3.890 140 HE2 MET 21 2HE MET 21 -7.393 -3.528 -5.503 141 HE3 MET 21 3HE MET 21 -5.891 -2.642 -5.235 142 H LYS 22 H LYS 22 -11.829 0.203 -7.220 143 HA LYS 22 HA LYS 22 -10.781 2.950 -7.436 144 HB2 LYS 22 1HB LYS 22 -13.051 3.709 -7.922 145 HB3 LYS 22 2HB LYS 22 -12.526 2.520 -9.107 146 HG2 LYS 22 1HG LYS 22 -14.617 1.740 -8.702 147 HG3 LYS 22 2HG LYS 22 -13.743 0.861 -7.446 148 HD2 LYS 22 1HD LYS 22 -15.588 1.743 -6.323 149 HD3 LYS 22 2HD LYS 22 -14.289 2.877 -5.945 150 HE2 LYS 22 1HE LYS 22 -16.034 3.366 -8.319 151 HE3 LYS 22 2HE LYS 22 -16.635 3.751 -6.706 152 HZ1 LYS 22 1HZ LYS 22 -14.453 4.987 -8.221 153 HZ2 LYS 22 2HZ LYS 22 -14.326 4.943 -6.535 154 HZ3 LYS 22 3HZ LYS 22 -15.646 5.710 -7.263 155 HA PRO 23 HA PRO 23 -11.572 3.419 -3.137 156 HB2 PRO 23 1HB PRO 23 -11.989 6.099 -3.023 157 HB3 PRO 23 2HB PRO 23 -10.392 5.385 -3.276 158 HG2 PRO 23 1HG PRO 23 -12.291 6.537 -5.283 159 HG3 PRO 23 2HG PRO 23 -10.533 6.739 -5.161 160 HD2 PRO 23 1HD PRO 23 -11.684 5.020 -6.908 161 HD3 PRO 23 2HD PRO 23 -10.104 4.708 -6.163 162 H ASP 24 H ASP 24 -13.277 3.317 -1.776 163 HA ASP 24 HA ASP 24 -15.916 3.313 -2.835 164 HB2 ASP 24 1HB ASP 24 -16.581 2.456 -0.793 165 HB3 ASP 24 2HB ASP 24 -14.880 1.999 -0.809 166 H GLU 25 H GLU 25 -17.616 4.461 -1.179 167 HA GLU 25 HA GLU 25 -17.648 7.147 -1.902 168 HB2 GLU 25 1HB GLU 25 -19.458 7.394 -0.231 169 HB3 GLU 25 2HB GLU 25 -19.676 5.989 -1.266 170 HG2 GLU 25 1HG GLU 25 -18.448 4.747 0.684 171 HG3 GLU 25 2HG GLU 25 -19.004 6.128 1.628 172 H ASN 26 H ASN 26 -16.547 5.614 1.088 173 HA ASN 26 HA ASN 26 -15.968 8.083 2.409 174 HB2 ASN 26 1HB ASN 26 -15.162 5.229 2.993 175 HB3 ASN 26 2HB ASN 26 -14.741 6.589 4.030 176 HD21 ASN 26 1HD2 ASN 26 -16.376 7.664 5.163 177 HD22 ASN 26 2HD2 ASN 26 -17.919 6.936 5.433 178 H GLY 27 H GLY 27 -14.386 6.241 0.029 179 HA2 GLY 27 1HA GLY 27 -12.433 6.712 -1.114 180 HA3 GLY 27 2HA GLY 27 -12.175 8.073 -0.033 181 H ARG 28 H ARG 28 -12.505 4.602 0.655 182 HA ARG 28 HA ARG 28 -9.725 4.576 1.594 183 HB2 ARG 28 1HB ARG 28 -10.289 3.527 3.656 184 HB3 ARG 28 2HB ARG 28 -11.327 4.939 3.506 185 HG2 ARG 28 1HG ARG 28 -13.167 3.511 2.767 186 HG3 ARG 28 2HG ARG 28 -12.125 2.095 2.921 187 HD2 ARG 28 1HD ARG 28 -13.530 2.281 4.875 188 HD3 ARG 28 2HD ARG 28 -11.853 2.595 5.321 189 HE ARG 28 HE ARG 28 -13.021 5.050 4.764 190 HH11 ARG 28 2HH1 ARG 28 -13.408 2.456 7.053 191 HH12 ARG 28 1HH1 ARG 28 -14.001 3.484 8.316 192 HH21 ARG 28 2HH2 ARG 28 -13.800 6.414 6.418 193 HH22 ARG 28 1HH2 ARG 28 -14.224 5.735 7.953 194 H PHE 29 H PHE 29 -8.690 2.572 1.494 195 HA PHE 29 HA PHE 29 -10.020 0.634 -0.258 196 HB2 PHE 29 1HB PHE 29 -7.084 0.895 0.426 197 HB3 PHE 29 2HB PHE 29 -7.779 -0.189 -0.775 198 HD1 PHE 29 2HD PHE 29 -6.895 3.268 0.007 199 HD2 PHE 29 1HD PHE 29 -8.555 0.644 -2.904 200 HE1 PHE 29 2HE PHE 29 -6.661 5.022 -1.703 201 HE2 PHE 29 1HE PHE 29 -8.322 2.393 -4.619 202 HZ PHE 29 HZ PHE 29 -7.376 4.586 -4.019 203 H GLY 30 H GLY 30 -9.288 -1.702 0.109 204 HA2 GLY 30 1HA GLY 30 -9.383 -2.260 3.010 205 HA3 GLY 30 2HA GLY 30 -10.221 -3.231 1.809 206 H PHE 31 H PHE 31 -6.895 -1.971 2.010 207 HA PHE 31 HA PHE 31 -5.855 -4.672 2.242 208 HB2 PHE 31 1HB PHE 31 -4.589 -4.680 0.249 209 HB3 PHE 31 2HB PHE 31 -6.189 -4.131 -0.236 210 HD1 PHE 31 1HD PHE 31 -2.748 -3.023 0.504 211 HD2 PHE 31 2HD PHE 31 -6.512 -2.005 -1.200 212 HE1 PHE 31 1HE PHE 31 -1.746 -1.011 -0.497 213 HE2 PHE 31 2HE PHE 31 -5.517 0.008 -2.205 214 HZ PHE 31 HZ PHE 31 -3.131 0.507 -1.855 215 H ASN 32 H ASN 32 -4.219 -4.654 3.629 216 HA ASN 32 HA ASN 32 -2.904 -2.102 4.217 217 HB2 ASN 32 1HB ASN 32 -3.426 -4.596 5.764 218 HB3 ASN 32 2HB ASN 32 -1.985 -3.668 6.169 219 HD21 ASN 32 1HD2 ASN 32 -3.129 -3.462 8.233 220 HD22 ASN 32 2HD2 ASN 32 -4.265 -2.173 8.420 221 H VAL 33 H VAL 33 -0.628 -1.954 4.396 222 HA VAL 33 HA VAL 33 0.860 -4.101 3.032 223 HB VAL 33 HB VAL 33 2.235 -2.475 1.900 224 HG11 VAL 33 1HG1 VAL 33 0.734 -2.497 0.266 225 HG12 VAL 33 2HG1 VAL 33 -0.549 -2.808 1.437 226 HG13 VAL 33 3HG1 VAL 33 -0.114 -1.149 1.023 227 HG21 VAL 33 1HG2 VAL 33 1.143 -0.011 2.108 228 HG22 VAL 33 2HG2 VAL 33 0.905 -0.610 3.750 229 HG23 VAL 33 3HG2 VAL 33 2.525 -0.560 3.055 230 H LYS 34 H LYS 34 3.036 -4.382 3.653 231 HA LYS 34 HA LYS 34 3.953 -2.894 6.000 232 HB2 LYS 34 1HB LYS 34 4.602 -4.998 7.131 233 HB3 LYS 34 2HB LYS 34 2.861 -4.841 6.938 234 HG2 LYS 34 1HG LYS 34 2.837 -6.414 5.154 235 HG3 LYS 34 2HG LYS 34 4.600 -6.432 5.070 236 HD2 LYS 34 1HD LYS 34 4.738 -7.472 7.242 237 HD3 LYS 34 2HD LYS 34 2.991 -7.334 7.458 238 HE2 LYS 34 1HE LYS 34 2.575 -8.909 5.723 239 HE3 LYS 34 2HE LYS 34 4.262 -8.888 5.213 240 HZ1 LYS 34 1HZ LYS 34 3.551 -9.732 7.945 241 HZ2 LYS 34 2HZ LYS 34 4.914 -10.131 7.027 242 HZ3 LYS 34 3HZ LYS 34 3.416 -10.823 6.659 243 H GLY 35 H GLY 35 6.130 -2.583 6.081 244 HA2 GLY 35 1HA GLY 35 8.373 -3.465 5.566 245 HA3 GLY 35 2HA GLY 35 7.733 -3.936 3.999 246 H GLY 36 H GLY 36 10.021 -2.433 4.151 247 HA2 GLY 36 1HA GLY 36 9.529 -0.334 2.405 248 HA3 GLY 36 2HA GLY 36 9.552 0.367 4.017 249 H TYR 37 H TYR 37 11.398 1.582 3.201 250 HA TYR 37 HA TYR 37 13.830 0.170 2.595 251 HB2 TYR 37 1HB TYR 37 13.811 2.187 1.485 252 HB3 TYR 37 2HB TYR 37 13.008 3.030 2.806 253 HD1 TYR 37 2HD TYR 37 16.248 1.758 1.588 254 HD2 TYR 37 1HD TYR 37 14.265 4.107 4.529 255 HE1 TYR 37 2HE TYR 37 18.415 2.663 2.317 256 HE2 TYR 37 1HE TYR 37 16.427 5.020 5.266 257 HH TYR 37 HH TYR 37 18.960 4.090 5.130 258 H ASP 38 H ASP 38 12.527 1.964 5.347 259 HA ASP 38 HA ASP 38 14.844 1.879 6.950 260 HB2 ASP 38 1HB ASP 38 12.732 3.302 7.267 261 HB3 ASP 38 2HB ASP 38 12.032 1.879 8.035 262 H GLN 39 H GLN 39 12.188 -0.377 6.495 263 HA GLN 39 HA GLN 39 13.237 -2.154 8.552 264 HB2 GLN 39 1HB GLN 39 10.759 -2.209 6.840 265 HB3 GLN 39 2HB GLN 39 11.234 -3.573 7.843 266 HG2 GLN 39 1HG GLN 39 10.815 -0.803 8.928 267 HG3 GLN 39 2HG GLN 39 9.536 -2.013 8.836 268 HE21 GLN 39 1HE2 GLN 39 9.275 -3.270 10.535 269 HE22 GLN 39 2HE2 GLN 39 10.440 -3.552 11.780 270 H LYS 40 H LYS 40 14.320 -1.516 5.679 271 HA LYS 40 HA LYS 40 15.134 -2.686 3.857 272 HB2 LYS 40 1HB LYS 40 16.168 -4.388 6.131 273 HB3 LYS 40 2HB LYS 40 16.890 -4.223 4.536 274 HG2 LYS 40 1HG LYS 40 16.506 -1.763 6.152 275 HG3 LYS 40 2HG LYS 40 17.789 -2.881 6.620 276 HD2 LYS 40 1HD LYS 40 17.556 -2.109 3.754 277 HD3 LYS 40 2HD LYS 40 18.218 -0.931 4.889 278 HE2 LYS 40 1HE LYS 40 20.141 -2.003 4.292 279 HE3 LYS 40 2HE LYS 40 19.657 -3.013 5.653 280 HZ1 LYS 40 1HZ LYS 40 18.729 -4.610 4.155 281 HZ2 LYS 40 2HZ LYS 40 20.315 -4.286 3.663 282 HZ3 LYS 40 3HZ LYS 40 19.013 -3.613 2.818 283 H MET 41 H MET 41 12.594 -3.401 3.869 284 HA MET 41 HA MET 41 12.699 -6.205 3.106 285 HB2 MET 41 1HB MET 41 10.936 -6.950 4.464 286 HB3 MET 41 2HB MET 41 11.946 -6.004 5.549 287 HG2 MET 41 1HG MET 41 10.438 -4.181 5.508 288 HG3 MET 41 2HG MET 41 9.528 -4.879 4.171 289 HE1 MET 41 1HE MET 41 8.308 -6.802 4.140 290 HE2 MET 41 2HE MET 41 7.718 -7.781 5.482 291 HE3 MET 41 3HE MET 41 6.932 -6.250 5.095 292 HA PRO 42 HA PRO 42 10.107 -4.850 -0.169 293 HB2 PRO 42 1HB PRO 42 8.754 -7.135 -0.732 294 HB3 PRO 42 2HB PRO 42 10.460 -6.905 -1.132 295 HG2 PRO 42 1HG PRO 42 9.235 -8.349 1.187 296 HG3 PRO 42 2HG PRO 42 10.603 -8.830 0.166 297 HD2 PRO 42 1HD PRO 42 10.933 -7.737 2.621 298 HD3 PRO 42 2HD PRO 42 12.087 -7.477 1.297 299 H VAL 43 H VAL 43 7.984 -4.250 -0.695 300 HA VAL 43 HA VAL 43 6.196 -4.078 1.587 301 HB VAL 43 HB VAL 43 5.858 -2.915 -1.181 302 HG11 VAL 43 1HG1 VAL 43 3.991 -3.212 0.828 303 HG12 VAL 43 2HG1 VAL 43 4.570 -1.559 1.044 304 HG13 VAL 43 3HG1 VAL 43 3.907 -2.066 -0.510 305 HG21 VAL 43 1HG2 VAL 43 6.409 -0.838 0.527 306 HG22 VAL 43 2HG2 VAL 43 7.500 -2.104 1.090 307 HG23 VAL 43 3HG2 VAL 43 7.553 -1.578 -0.593 308 H ILE 44 H ILE 44 4.990 -5.840 1.938 309 HA ILE 44 HA ILE 44 3.531 -6.981 -0.356 310 HB ILE 44 HB ILE 44 4.613 -8.412 2.070 311 HG12 ILE 44 1HG1 ILE 44 5.530 -9.837 0.036 312 HG13 ILE 44 2HG1 ILE 44 5.299 -8.327 -0.838 313 HG21 ILE 44 1HG2 ILE 44 2.767 -9.421 -0.088 314 HG22 ILE 44 2HG2 ILE 44 3.590 -10.442 1.090 315 HG23 ILE 44 3HG2 ILE 44 2.401 -9.257 1.630 316 HD11 ILE 44 1HD1 ILE 44 6.828 -7.186 0.569 317 HD12 ILE 44 2HD1 ILE 44 6.903 -8.546 1.691 318 HD13 ILE 44 3HD1 ILE 44 7.592 -8.697 0.075 319 H VAL 45 H VAL 45 1.370 -7.397 -0.111 320 HA VAL 45 HA VAL 45 -0.166 -5.838 1.560 321 HB VAL 45 HB VAL 45 -0.867 -8.480 0.279 322 HG11 VAL 45 1HG1 VAL 45 -2.301 -7.049 2.265 323 HG12 VAL 45 2HG1 VAL 45 -3.161 -6.870 0.734 324 HG13 VAL 45 3HG1 VAL 45 -2.803 -8.479 1.362 325 HG21 VAL 45 1HG2 VAL 45 -2.078 -6.994 -1.318 326 HG22 VAL 45 2HG2 VAL 45 -1.332 -5.610 -0.520 327 HG23 VAL 45 3HG2 VAL 45 -0.325 -6.801 -1.343 328 H SER 46 H SER 46 0.137 -5.819 3.715 329 HA SER 46 HA SER 46 0.860 -7.950 5.342 330 HB2 SER 46 1HB SER 46 0.879 -5.518 5.978 331 HB3 SER 46 2HB SER 46 -0.869 -5.616 6.192 332 HG SER 46 HG SER 46 -0.387 -7.370 7.710 333 H ARG 47 H ARG 47 -2.405 -6.514 5.222 334 HA ARG 47 HA ARG 47 -3.561 -9.196 5.337 335 HB2 ARG 47 1HB ARG 47 -3.253 -8.095 7.680 336 HB3 ARG 47 2HB ARG 47 -4.615 -7.093 7.198 337 HG2 ARG 47 1HG ARG 47 -5.554 -8.853 8.413 338 HG3 ARG 47 2HG ARG 47 -5.846 -9.265 6.722 339 HD2 ARG 47 1HD ARG 47 -4.364 -11.003 6.746 340 HD3 ARG 47 2HD ARG 47 -3.352 -10.264 7.987 341 HE ARG 47 HE ARG 47 -4.634 -11.280 9.602 342 HH11 ARG 47 2HH1 ARG 47 -6.217 -11.543 6.513 343 HH12 ARG 47 1HH1 ARG 47 -7.416 -12.659 7.076 344 HH21 ARG 47 2HH2 ARG 47 -6.207 -12.749 10.356 345 HH22 ARG 47 1HH2 ARG 47 -7.411 -13.343 9.262 346 H VAL 48 H VAL 48 -5.760 -9.297 4.673 347 HA VAL 48 HA VAL 48 -6.826 -6.854 3.436 348 HB VAL 48 HB VAL 48 -6.762 -9.548 2.071 349 HG11 VAL 48 1HG1 VAL 48 -8.049 -8.690 0.409 350 HG12 VAL 48 2HG1 VAL 48 -8.656 -7.699 1.737 351 HG13 VAL 48 3HG1 VAL 48 -7.442 -7.050 0.634 352 HG21 VAL 48 1HG2 VAL 48 -4.789 -9.008 1.208 353 HG22 VAL 48 2HG2 VAL 48 -5.430 -7.473 0.623 354 HG23 VAL 48 3HG2 VAL 48 -4.749 -7.583 2.246 355 H ALA 49 H ALA 49 -8.866 -6.496 3.999 356 HA ALA 49 HA ALA 49 -10.371 -8.629 5.307 357 HB1 ALA 49 1HB ALA 49 -10.222 -6.519 6.486 358 HB2 ALA 49 2HB ALA 49 -10.919 -5.670 5.106 359 HB3 ALA 49 3HB ALA 49 -11.892 -6.828 6.012 360 HA PRO 50 HA PRO 50 -13.072 -9.389 1.926 361 HB2 PRO 50 1HB PRO 50 -15.342 -10.072 3.249 362 HB3 PRO 50 2HB PRO 50 -13.924 -11.124 3.167 363 HG2 PRO 50 1HG PRO 50 -14.799 -9.293 5.368 364 HG3 PRO 50 2HG PRO 50 -14.163 -10.945 5.474 365 HD2 PRO 50 1HD PRO 50 -12.634 -8.762 5.952 366 HD3 PRO 50 2HD PRO 50 -11.977 -10.253 5.246 367 H GLY 51 H GLY 51 -15.447 -8.889 1.239 368 HA2 GLY 51 1HA GLY 51 -16.795 -7.198 0.438 369 HA3 GLY 51 2HA GLY 51 -16.988 -6.831 2.146 370 H THR 52 H THR 52 -14.175 -6.500 -0.001 371 HA THR 52 HA THR 52 -14.268 -3.593 0.447 372 HB THR 52 HB THR 52 -11.720 -3.675 0.487 373 HG1 THR 52 1HG THR 52 -12.181 -6.384 1.236 374 HG21 THR 52 1HG2 THR 52 -13.647 -4.093 2.559 375 HG22 THR 52 2HG2 THR 52 -12.104 -3.244 2.639 376 HG23 THR 52 3HG2 THR 52 -12.174 -4.977 2.955 377 HA PRO 53 HA PRO 53 -13.637 -3.160 -3.877 378 HB2 PRO 53 1HB PRO 53 -12.215 -0.849 -3.973 379 HB3 PRO 53 2HB PRO 53 -13.937 -0.902 -3.574 380 HG2 PRO 53 1HG PRO 53 -11.573 -0.702 -1.747 381 HG3 PRO 53 2HG PRO 53 -13.115 0.173 -1.683 382 HD2 PRO 53 1HD PRO 53 -12.584 -1.961 -0.103 383 HD3 PRO 53 2HD PRO 53 -14.218 -1.589 -0.689 384 H ALA 54 H ALA 54 -11.178 -3.976 -1.813 385 HA ALA 54 HA ALA 54 -9.126 -3.954 -3.919 386 HB1 ALA 54 1HB ALA 54 -9.051 -3.645 -1.024 387 HB2 ALA 54 2HB ALA 54 -7.867 -4.805 -1.630 388 HB3 ALA 54 3HB ALA 54 -7.881 -3.154 -2.249 389 H ASP 55 H ASP 55 -11.289 -5.985 -2.260 390 HA ASP 55 HA ASP 55 -9.739 -8.391 -2.914 391 HB2 ASP 55 1HB ASP 55 -10.844 -7.935 -0.594 392 HB3 ASP 55 2HB ASP 55 -12.331 -8.424 -1.402 393 H LEU 56 H LEU 56 -13.124 -7.271 -3.096 394 HA LEU 56 HA LEU 56 -14.083 -9.218 -4.814 395 HB2 LEU 56 1HB LEU 56 -14.918 -6.324 -4.804 396 HB3 LEU 56 2HB LEU 56 -15.876 -7.700 -5.346 397 HG LEU 56 HG LEU 56 -14.959 -7.571 -2.504 398 HD11 LEU 56 1HD1 LEU 56 -17.216 -6.007 -3.727 399 HD12 LEU 56 2HD1 LEU 56 -15.899 -5.417 -2.715 400 HD13 LEU 56 3HD1 LEU 56 -17.161 -6.432 -2.016 401 HD21 LEU 56 1HD2 LEU 56 -16.333 -9.303 -2.264 402 HD22 LEU 56 2HD2 LEU 56 -16.475 -9.340 -4.022 403 HD23 LEU 56 3HD2 LEU 56 -17.656 -8.449 -3.060 404 H CYS 57 H CYS 57 -11.843 -6.744 -5.460 405 HA CYS 57 HA CYS 57 -12.373 -6.344 -8.222 406 HB2 CYS 57 1HB CYS 57 -10.313 -5.158 -8.293 407 HB3 CYS 57 2HB CYS 57 -11.011 -4.832 -6.711 408 HG CYS 57 HG CYS 57 -8.459 -7.018 -7.362 409 H VAL 58 H VAL 58 -10.624 -6.877 -9.893 410 HA VAL 58 HA VAL 58 -9.443 -9.522 -9.467 411 HB VAL 58 HB VAL 58 -11.565 -10.048 -10.478 412 HG11 VAL 58 1HG1 VAL 58 -11.411 -7.585 -11.654 413 HG12 VAL 58 2HG1 VAL 58 -11.131 -8.668 -13.018 414 HG13 VAL 58 3HG1 VAL 58 -12.596 -8.829 -12.049 415 HG21 VAL 58 1HG2 VAL 58 -9.745 -11.407 -11.234 416 HG22 VAL 58 2HG2 VAL 58 -10.788 -11.076 -12.617 417 HG23 VAL 58 3HG2 VAL 58 -9.270 -10.198 -12.427 418 HA PRO 59 HA PRO 59 -8.087 -10.866 -10.262 419 HB2 PRO 59 1HB PRO 59 -5.464 -11.033 -9.581 420 HB3 PRO 59 2HB PRO 59 -6.060 -11.404 -11.203 421 HG2 PRO 59 1HG PRO 59 -4.775 -8.899 -10.185 422 HG3 PRO 59 2HG PRO 59 -4.500 -9.757 -11.713 423 HD2 PRO 59 1HD PRO 59 -6.054 -7.546 -11.543 424 HD3 PRO 59 2HD PRO 59 -6.372 -8.850 -12.705 425 H ARG 60 H ARG 60 -8.599 -11.274 -8.199 426 HA ARG 60 HA ARG 60 -8.861 -9.405 -6.232 427 HB2 ARG 60 1HB ARG 60 -9.908 -11.550 -6.002 428 HB3 ARG 60 2HB ARG 60 -8.352 -12.368 -5.965 429 HG2 ARG 60 1HG ARG 60 -7.876 -11.108 -3.833 430 HG3 ARG 60 2HG ARG 60 -9.571 -10.619 -3.850 431 HD2 ARG 60 1HD ARG 60 -10.332 -12.762 -3.469 432 HD3 ARG 60 2HD ARG 60 -8.876 -13.507 -4.128 433 HE ARG 60 HE ARG 60 -8.193 -12.082 -1.812 434 HH11 ARG 60 2HH1 ARG 60 -9.980 -14.909 -2.779 435 HH12 ARG 60 1HH1 ARG 60 -9.713 -15.749 -1.287 436 HH21 ARG 60 2HH2 ARG 60 -7.834 -13.177 0.157 437 HH22 ARG 60 1HH2 ARG 60 -8.492 -14.762 0.382 438 H LEU 61 H LEU 61 -7.661 -8.632 -4.527 439 HA LEU 61 HA LEU 61 -4.775 -8.895 -4.814 440 HB2 LEU 61 1HB LEU 61 -5.942 -6.677 -4.595 441 HB3 LEU 61 2HB LEU 61 -6.300 -7.114 -2.926 442 HG LEU 61 HG LEU 61 -3.885 -7.208 -2.455 443 HD11 LEU 61 1HD1 LEU 61 -2.740 -7.704 -4.369 444 HD12 LEU 61 2HD1 LEU 61 -2.508 -5.957 -4.315 445 HD13 LEU 61 3HD1 LEU 61 -3.737 -6.651 -5.373 446 HD21 LEU 61 1HD2 LEU 61 -3.517 -4.846 -2.413 447 HD22 LEU 61 2HD2 LEU 61 -5.236 -5.134 -2.142 448 HD23 LEU 61 3HD2 LEU 61 -4.671 -4.589 -3.722 449 H ASN 62 H ASN 62 -4.531 -11.017 -3.985 450 HA ASN 62 HA ASN 62 -5.273 -11.501 -1.215 451 HB2 ASN 62 1HB ASN 62 -5.642 -13.440 -2.416 452 HB3 ASN 62 2HB ASN 62 -4.250 -13.181 -3.464 453 HD21 ASN 62 1HD2 ASN 62 -2.603 -14.472 -3.132 454 HD22 ASN 62 2HD2 ASN 62 -2.220 -15.281 -1.654 455 H GLU 63 H GLU 63 -3.815 -11.911 0.450 456 HA GLU 63 HA GLU 63 -1.612 -10.327 0.717 457 HB2 GLU 63 1HB GLU 63 -2.025 -13.044 1.977 458 HB3 GLU 63 2HB GLU 63 -0.885 -11.830 2.538 459 HG2 GLU 63 1HG GLU 63 -2.612 -11.426 3.955 460 HG3 GLU 63 2HG GLU 63 -3.041 -10.330 2.643 461 H GLY 64 H GLY 64 0.689 -10.798 0.796 462 HA2 GLY 64 1HA GLY 64 2.615 -11.980 0.135 463 HA3 GLY 64 2HA GLY 64 1.600 -13.067 -0.801 464 H ASP 65 H ASP 65 0.163 -11.077 -2.239 465 HA ASP 65 HA ASP 65 1.784 -10.742 -4.468 466 HB2 ASP 65 1HB ASP 65 -0.711 -9.282 -3.598 467 HB3 ASP 65 2HB ASP 65 0.057 -9.006 -5.159 468 H GLN 66 H GLN 66 3.782 -9.893 -3.759 469 HA GLN 66 HA GLN 66 4.191 -7.555 -2.330 470 HB2 GLN 66 1HB GLN 66 5.945 -9.219 -2.964 471 HB3 GLN 66 2HB GLN 66 5.919 -8.562 -4.595 472 HG2 GLN 66 1HG GLN 66 6.527 -6.342 -3.614 473 HG3 GLN 66 2HG GLN 66 6.756 -7.163 -2.071 474 HE21 GLN 66 1HE2 GLN 66 8.537 -5.785 -4.161 475 HE22 GLN 66 2HE2 GLN 66 9.857 -6.885 -4.343 476 H VAL 67 H VAL 67 4.677 -5.412 -2.948 477 HA VAL 67 HA VAL 67 3.324 -4.590 -5.421 478 HB VAL 67 HB VAL 67 4.076 -2.928 -3.012 479 HG11 VAL 67 1HG1 VAL 67 2.772 -1.166 -4.011 480 HG12 VAL 67 2HG1 VAL 67 4.011 -1.684 -5.156 481 HG13 VAL 67 3HG1 VAL 67 2.339 -2.204 -5.368 482 HG21 VAL 67 1HG2 VAL 67 1.270 -3.555 -3.805 483 HG22 VAL 67 2HG2 VAL 67 2.198 -4.753 -2.903 484 HG23 VAL 67 3HG2 VAL 67 1.927 -3.150 -2.220 485 H VAL 68 H VAL 68 4.739 -4.492 -7.059 486 HA VAL 68 HA VAL 68 7.494 -3.808 -6.715 487 HB VAL 68 HB VAL 68 5.855 -4.033 -9.244 488 HG11 VAL 68 1HG1 VAL 68 8.244 -2.774 -9.023 489 HG12 VAL 68 2HG1 VAL 68 8.764 -4.429 -9.347 490 HG13 VAL 68 3HG1 VAL 68 7.687 -3.605 -10.475 491 HG21 VAL 68 1HG2 VAL 68 7.245 -5.986 -7.520 492 HG22 VAL 68 2HG2 VAL 68 5.843 -6.194 -8.570 493 HG23 VAL 68 3HG2 VAL 68 7.466 -6.180 -9.259 494 H LEU 69 H LEU 69 4.726 -2.162 -8.235 495 HA LEU 69 HA LEU 69 5.926 0.407 -7.575 496 HB2 LEU 69 1HB LEU 69 5.243 -0.463 -10.373 497 HB3 LEU 69 2HB LEU 69 5.431 1.227 -9.910 498 HG LEU 69 HG LEU 69 7.622 -0.811 -9.577 499 HD11 LEU 69 1HD1 LEU 69 8.552 0.383 -11.648 500 HD12 LEU 69 2HD1 LEU 69 6.884 0.873 -11.944 501 HD13 LEU 69 3HD1 LEU 69 7.303 -0.839 -11.885 502 HD21 LEU 69 1HD2 LEU 69 8.050 1.058 -8.228 503 HD22 LEU 69 2HD2 LEU 69 7.450 2.185 -9.445 504 HD23 LEU 69 3HD2 LEU 69 8.980 1.344 -9.699 505 H ILE 70 H ILE 70 4.446 1.934 -7.076 506 HA ILE 70 HA ILE 70 1.619 1.172 -7.351 507 HB ILE 70 HB ILE 70 2.955 3.061 -5.412 508 HG12 ILE 70 1HG1 ILE 70 1.372 0.561 -4.824 509 HG13 ILE 70 2HG1 ILE 70 3.114 0.535 -5.077 510 HG21 ILE 70 1HG2 ILE 70 0.302 3.118 -6.387 511 HG22 ILE 70 2HG2 ILE 70 0.246 2.513 -4.732 512 HG23 ILE 70 3HG2 ILE 70 1.006 4.066 -5.078 513 HD11 ILE 70 1HD1 ILE 70 1.915 2.359 -3.041 514 HD12 ILE 70 2HD1 ILE 70 2.186 0.654 -2.678 515 HD13 ILE 70 3HD1 ILE 70 3.543 1.687 -3.124 516 H ASN 71 H ASN 71 0.346 2.288 -8.672 517 HA ASN 71 HA ASN 71 -0.296 3.803 -10.255 518 HB2 ASN 71 1HB ASN 71 0.698 5.595 -8.037 519 HB3 ASN 71 2HB ASN 71 -0.133 6.212 -9.462 520 HD21 ASN 71 1HD2 ASN 71 -2.254 5.076 -9.928 521 HD22 ASN 71 2HD2 ASN 71 -3.276 4.779 -8.567 522 H GLY 72 H GLY 72 2.505 2.806 -10.369 523 HA2 GLY 72 1HA GLY 72 4.216 3.098 -11.893 524 HA3 GLY 72 2HA GLY 72 3.402 4.546 -12.466 525 H ARG 73 H ARG 73 4.376 3.950 -9.137 526 HA ARG 73 HA ARG 73 6.487 5.977 -9.432 527 HB2 ARG 73 1HB ARG 73 4.298 6.826 -8.393 528 HB3 ARG 73 2HB ARG 73 4.714 5.831 -7.005 529 HG2 ARG 73 1HG ARG 73 5.572 7.852 -6.368 530 HG3 ARG 73 2HG ARG 73 6.984 7.119 -7.133 531 HD2 ARG 73 1HD ARG 73 6.939 9.257 -8.042 532 HD3 ARG 73 2HD ARG 73 6.146 8.279 -9.277 533 HE ARG 73 HE ARG 73 4.162 9.249 -7.589 534 HH11 ARG 73 2HH1 ARG 73 6.531 10.501 -9.812 535 HH12 ARG 73 1HH1 ARG 73 5.588 11.891 -10.237 536 HH21 ARG 73 2HH2 ARG 73 2.911 11.075 -8.140 537 HH22 ARG 73 1HH2 ARG 73 3.530 12.217 -9.285 538 H ASP 74 H ASP 74 8.220 5.824 -7.943 539 HA ASP 74 HA ASP 74 8.793 3.115 -7.144 540 HB2 ASP 74 1HB ASP 74 11.000 4.011 -6.505 541 HB3 ASP 74 2HB ASP 74 10.553 4.478 -8.144 542 H ILE 75 H ILE 75 8.286 2.273 -5.244 543 HA ILE 75 HA ILE 75 8.008 4.081 -2.932 544 HB ILE 75 HB ILE 75 6.350 2.523 -2.009 545 HG12 ILE 75 1HG1 ILE 75 5.384 0.946 -3.934 546 HG13 ILE 75 2HG1 ILE 75 7.061 0.997 -4.467 547 HG21 ILE 75 1HG2 ILE 75 4.868 2.875 -4.373 548 HG22 ILE 75 2HG2 ILE 75 4.905 3.918 -2.952 549 HG23 ILE 75 3HG2 ILE 75 6.013 4.214 -4.292 550 HD11 ILE 75 1HD1 ILE 75 6.304 -0.895 -2.903 551 HD12 ILE 75 2HD1 ILE 75 7.826 -0.071 -2.561 552 HD13 ILE 75 3HD1 ILE 75 6.380 0.329 -1.635 553 H ALA 76 H ALA 76 10.091 2.017 -4.175 554 HA ALA 76 HA ALA 76 10.529 0.139 -2.079 555 HB1 ALA 76 1HB ALA 76 12.913 0.198 -3.294 556 HB2 ALA 76 2HB ALA 76 11.518 -0.657 -3.952 557 HB3 ALA 76 3HB ALA 76 11.930 0.949 -4.551 558 H GLU 77 H GLU 77 12.101 3.202 -2.975 559 HA GLU 77 HA GLU 77 13.911 3.168 -0.775 560 HB2 GLU 77 1HB GLU 77 14.482 4.415 -2.758 561 HB3 GLU 77 2HB GLU 77 13.028 5.392 -2.617 562 HG2 GLU 77 1HG GLU 77 14.612 6.820 -1.792 563 HG3 GLU 77 2HG GLU 77 14.032 6.060 -0.311 564 H HIS 78 H HIS 78 10.681 4.378 -1.280 565 HA HIS 78 HA HIS 78 10.583 6.106 0.971 566 HB2 HIS 78 1HB HIS 78 8.335 4.715 -0.500 567 HB3 HIS 78 2HB HIS 78 8.135 6.033 0.650 568 HD1 HIS 78 1HD HIS 78 8.142 8.322 -0.310 569 HD2 HIS 78 2HD HIS 78 9.881 5.550 -2.871 570 HE1 HIS 78 1HE HIS 78 8.621 9.578 -2.435 571 HE2 HIS 78 2HE HIS 78 9.595 7.860 -3.999 572 H THR 79 H THR 79 9.925 5.760 3.047 573 HA THR 79 HA THR 79 10.151 3.086 4.054 574 HB THR 79 HB THR 79 9.797 4.077 6.265 575 HG1 THR 79 1HG THR 79 8.333 5.687 5.955 576 HG21 THR 79 1HG2 THR 79 11.646 5.689 4.502 577 HG22 THR 79 2HG2 THR 79 12.038 4.189 5.342 578 HG23 THR 79 3HG2 THR 79 11.701 5.654 6.263 579 H HIS 80 H HIS 80 8.555 2.017 5.382 580 HA HIS 80 HA HIS 80 6.189 1.438 4.276 581 HB2 HIS 80 1HB HIS 80 6.859 0.206 6.195 582 HB3 HIS 80 2HB HIS 80 6.848 1.644 7.213 583 HD1 HIS 80 1HD HIS 80 4.933 -1.261 6.627 584 HD2 HIS 80 2HD HIS 80 3.990 2.733 7.271 585 HE1 HIS 80 1HE HIS 80 2.534 -1.250 7.381 586 HE2 HIS 80 2HE HIS 80 1.960 1.184 7.683 587 H ASP 81 H ASP 81 6.386 3.828 6.921 588 HA ASP 81 HA ASP 81 3.830 4.796 6.847 589 HB2 ASP 81 1HB ASP 81 6.458 6.038 7.536 590 HB3 ASP 81 2HB ASP 81 5.037 7.075 7.445 591 H GLN 82 H GLN 82 6.576 6.162 5.025 592 HA GLN 82 HA GLN 82 5.240 8.112 3.617 593 HB2 GLN 82 1HB GLN 82 7.581 6.382 2.848 594 HB3 GLN 82 2HB GLN 82 6.992 7.665 1.801 595 HG2 GLN 82 1HG GLN 82 8.096 7.952 4.583 596 HG3 GLN 82 2HG GLN 82 8.837 8.488 3.076 597 HE21 GLN 82 1HE2 GLN 82 6.128 8.997 5.255 598 HE22 GLN 82 2HE2 GLN 82 5.836 10.640 4.808 599 H VAL 83 H VAL 83 5.945 4.838 2.379 600 HA VAL 83 HA VAL 83 4.565 4.899 0.029 601 HB VAL 83 HB VAL 83 4.652 2.572 1.955 602 HG11 VAL 83 1HG1 VAL 83 3.073 2.736 -0.229 603 HG12 VAL 83 2HG1 VAL 83 4.554 2.102 -0.949 604 HG13 VAL 83 3HG1 VAL 83 3.771 1.233 0.371 605 HG21 VAL 83 1HG2 VAL 83 6.593 3.704 0.012 606 HG22 VAL 83 2HG2 VAL 83 6.874 2.941 1.577 607 HG23 VAL 83 3HG2 VAL 83 6.502 1.950 0.167 608 H VAL 84 H VAL 84 3.189 3.871 3.157 609 HA VAL 84 HA VAL 84 0.590 3.415 2.370 610 HB VAL 84 HB VAL 84 1.656 4.502 4.969 611 HG11 VAL 84 1HG1 VAL 84 -0.691 3.614 5.762 612 HG12 VAL 84 2HG1 VAL 84 -0.497 5.264 5.167 613 HG13 VAL 84 3HG1 VAL 84 -1.153 4.015 4.108 614 HG21 VAL 84 1HG2 VAL 84 1.037 1.823 3.855 615 HG22 VAL 84 2HG2 VAL 84 2.349 2.331 4.919 616 HG23 VAL 84 3HG2 VAL 84 0.728 2.088 5.570 617 H LEU 85 H LEU 85 2.139 6.484 3.159 618 HA LEU 85 HA LEU 85 -0.230 8.048 3.063 619 HB2 LEU 85 1HB LEU 85 2.688 8.577 3.109 620 HB3 LEU 85 2HB LEU 85 1.636 9.873 2.544 621 HG LEU 85 HG LEU 85 1.166 8.529 5.186 622 HD11 LEU 85 1HD1 LEU 85 3.146 10.676 4.511 623 HD12 LEU 85 2HD1 LEU 85 3.374 9.223 5.483 624 HD13 LEU 85 3HD1 LEU 85 2.415 10.563 6.112 625 HD21 LEU 85 1HD2 LEU 85 -0.202 10.455 3.710 626 HD22 LEU 85 2HD2 LEU 85 0.638 11.358 4.971 627 HD23 LEU 85 3HD2 LEU 85 -0.450 10.039 5.406 628 H PHE 86 H PHE 86 2.402 7.537 0.721 629 HA PHE 86 HA PHE 86 1.634 9.133 -1.339 630 HB2 PHE 86 1HB PHE 86 3.635 7.783 -1.480 631 HB3 PHE 86 2HB PHE 86 2.683 6.302 -1.503 632 HD1 PHE 86 1HD PHE 86 2.549 9.519 -3.395 633 HD2 PHE 86 2HD PHE 86 2.777 5.271 -3.544 634 HE1 PHE 86 1HE PHE 86 2.485 9.605 -5.853 635 HE2 PHE 86 2HE PHE 86 2.714 5.351 -6.002 636 HZ PHE 86 HZ PHE 86 2.569 7.519 -7.160 637 H ILE 87 H ILE 87 0.534 5.762 -0.941 638 HA ILE 87 HA ILE 87 -1.234 5.591 -3.023 639 HB ILE 87 HB ILE 87 -1.644 4.451 -0.256 640 HG12 ILE 87 1HG1 ILE 87 -0.451 3.097 -2.676 641 HG13 ILE 87 2HG1 ILE 87 0.529 3.912 -1.462 642 HG21 ILE 87 1HG2 ILE 87 -2.714 3.269 -2.787 643 HG22 ILE 87 2HG2 ILE 87 -3.237 3.007 -1.124 644 HG23 ILE 87 3HG2 ILE 87 -3.608 4.528 -1.936 645 HD11 ILE 87 1HD1 ILE 87 -0.815 2.344 0.172 646 HD12 ILE 87 2HD1 ILE 87 -0.983 1.369 -1.289 647 HD13 ILE 87 3HD1 ILE 87 0.621 1.781 -0.684 648 H LYS 88 H LYS 88 -1.956 6.785 0.251 649 HA LYS 88 HA LYS 88 -4.649 7.368 -0.119 650 HB2 LYS 88 1HB LYS 88 -2.553 8.620 1.647 651 HB3 LYS 88 2HB LYS 88 -4.235 9.131 1.690 652 HG2 LYS 88 1HG LYS 88 -4.877 6.794 2.220 653 HG3 LYS 88 2HG LYS 88 -3.161 6.389 2.312 654 HD2 LYS 88 1HD LYS 88 -2.877 8.044 4.102 655 HD3 LYS 88 2HD LYS 88 -4.599 8.426 4.015 656 HE2 LYS 88 1HE LYS 88 -3.749 5.599 4.446 657 HE3 LYS 88 2HE LYS 88 -3.686 6.730 5.797 658 HZ1 LYS 88 1HZ LYS 88 -5.816 6.178 6.073 659 HZ2 LYS 88 2HZ LYS 88 -5.965 5.519 4.523 660 HZ3 LYS 88 3HZ LYS 88 -6.132 7.187 4.753 661 H ALA 89 H ALA 89 -1.803 9.397 -0.718 662 HA ALA 89 HA ALA 89 -2.839 11.818 -1.300 663 HB1 ALA 89 1HB ALA 89 -1.044 12.160 -2.885 664 HB2 ALA 89 2HB ALA 89 -0.455 11.227 -1.507 665 HB3 ALA 89 3HB ALA 89 -0.808 10.418 -3.034 666 H SER 90 H SER 90 -2.823 9.047 -3.525 667 HA SER 90 HA SER 90 -3.774 10.008 -5.831 668 HB2 SER 90 1HB SER 90 -4.961 7.922 -6.195 669 HB3 SER 90 2HB SER 90 -3.471 7.589 -5.313 670 HG SER 90 HG SER 90 -5.272 6.496 -4.413 671 H CYS 91 H CYS 91 -5.766 9.486 -2.945 672 HA CYS 91 HA CYS 91 -8.270 10.031 -3.868 673 HB2 CYS 91 1HB CYS 91 -6.897 10.617 -1.279 674 HB3 CYS 91 2HB CYS 91 -8.507 11.274 -1.546 675 HG CYS 91 HG CYS 91 -8.399 8.795 -0.014 676 H GLU 92 H GLU 92 -5.849 12.440 -2.877 677 HA GLU 92 HA GLU 92 -7.495 14.672 -3.544 678 HB2 GLU 92 1HB GLU 92 -5.386 14.475 -1.968 679 HB3 GLU 92 2HB GLU 92 -4.517 14.886 -3.440 680 HG2 GLU 92 1HG GLU 92 -4.955 16.870 -2.138 681 HG3 GLU 92 2HG GLU 92 -5.848 16.925 -3.656 682 H ARG 93 H ARG 93 -8.188 14.369 -5.669 683 HA ARG 93 HA ARG 93 -6.579 15.513 -7.673 684 HB2 ARG 93 1HB ARG 93 -6.084 13.669 -9.094 685 HB3 ARG 93 2HB ARG 93 -5.508 13.237 -7.490 686 HG2 ARG 93 1HG ARG 93 -7.518 11.885 -7.137 687 HG3 ARG 93 2HG ARG 93 -8.077 12.308 -8.756 688 HD2 ARG 93 1HD ARG 93 -6.302 11.135 -9.781 689 HD3 ARG 93 2HD ARG 93 -5.424 10.986 -8.260 690 HE ARG 93 HE ARG 93 -7.874 9.696 -7.954 691 HH11 ARG 93 2HH1 ARG 93 -4.953 9.368 -9.820 692 HH12 ARG 93 1HH1 ARG 93 -5.076 7.645 -9.953 693 HH21 ARG 93 2HH2 ARG 93 -8.047 7.427 -8.122 694 HH22 ARG 93 1HH2 ARG 93 -6.837 6.542 -8.988 695 H HIS 94 H HIS 94 -7.659 15.519 -9.803 696 HA HIS 94 HA HIS 94 -10.375 16.119 -9.590 697 HB2 HIS 94 1HB HIS 94 -8.747 15.411 -12.038 698 HB3 HIS 94 2HB HIS 94 -10.368 16.097 -12.086 699 HD1 HIS 94 1HD HIS 94 -10.609 18.578 -11.187 700 HD2 HIS 94 2HD HIS 94 -6.711 17.223 -11.672 701 HE1 HIS 94 1HE HIS 94 -9.170 20.640 -11.142 702 HE2 HIS 94 2HE HIS 94 -6.825 19.803 -11.523 703 H SER 95 H SER 95 -8.900 13.314 -11.232 704 HA SER 95 HA SER 95 -10.845 11.500 -10.212 705 HB2 SER 95 1HB SER 95 -11.990 12.872 -12.142 706 HB3 SER 95 2HB SER 95 -11.056 11.800 -13.186 707 HG SER 95 HG SER 95 -13.225 11.250 -11.555 708 H GLY 96 H GLY 96 -10.544 9.297 -11.065 709 HA2 GLY 96 1HA GLY 96 -8.815 8.308 -12.860 710 HA3 GLY 96 2HA GLY 96 -7.725 8.828 -11.582 711 H GLU 97 H GLU 97 -7.404 6.338 -11.940 712 HA GLU 97 HA GLU 97 -9.039 4.989 -9.896 713 HB2 GLU 97 1HB GLU 97 -8.235 4.059 -12.618 714 HB3 GLU 97 2HB GLU 97 -8.354 2.873 -11.326 715 HG2 GLU 97 1HG GLU 97 -10.442 2.811 -12.328 716 HG3 GLU 97 2HG GLU 97 -10.689 3.836 -10.915 717 H LEU 98 H LEU 98 -7.890 2.984 -9.041 718 HA LEU 98 HA LEU 98 -5.121 3.732 -8.446 719 HB2 LEU 98 1HB LEU 98 -6.835 3.335 -6.628 720 HB3 LEU 98 2HB LEU 98 -6.782 1.631 -7.075 721 HG LEU 98 HG LEU 98 -4.227 1.873 -6.618 722 HD11 LEU 98 1HD1 LEU 98 -4.796 3.755 -4.496 723 HD12 LEU 98 2HD1 LEU 98 -5.009 4.478 -6.090 724 HD13 LEU 98 3HD1 LEU 98 -3.471 3.730 -5.659 725 HD21 LEU 98 1HD2 LEU 98 -6.518 1.325 -4.911 726 HD22 LEU 98 2HD2 LEU 98 -5.093 1.830 -4.002 727 HD23 LEU 98 3HD2 LEU 98 -5.000 0.444 -5.089 728 H MET 99 H MET 99 -3.432 2.562 -9.118 729 HA MET 99 HA MET 99 -3.932 -0.135 -10.183 730 HB2 MET 99 1HB MET 99 -2.300 2.074 -11.433 731 HB3 MET 99 2HB MET 99 -2.164 0.389 -11.918 732 HG2 MET 99 1HG MET 99 -4.410 0.345 -12.689 733 HG3 MET 99 2HG MET 99 -4.746 1.922 -11.979 734 HE1 MET 99 1HE MET 99 -2.582 0.165 -15.011 735 HE2 MET 99 2HE MET 99 -4.339 0.063 -14.889 736 HE3 MET 99 3HE MET 99 -3.598 1.063 -16.139 737 H LEU 100 H LEU 100 -2.662 -1.644 -9.328 738 HA LEU 100 HA LEU 100 -0.129 -0.799 -8.081 739 HB2 LEU 100 1HB LEU 100 -1.873 -3.060 -7.132 740 HB3 LEU 100 2HB LEU 100 -0.448 -2.396 -6.336 741 HG LEU 100 HG LEU 100 -2.842 -0.660 -6.771 742 HD11 LEU 100 1HD1 LEU 100 -2.623 -2.196 -4.239 743 HD12 LEU 100 2HD1 LEU 100 -3.325 -3.000 -5.643 744 HD13 LEU 100 3HD1 LEU 100 -4.042 -1.509 -5.031 745 HD21 LEU 100 1HD2 LEU 100 -0.562 -0.790 -4.817 746 HD22 LEU 100 2HD2 LEU 100 -1.985 0.215 -4.544 747 HD23 LEU 100 3HD2 LEU 100 -0.963 0.498 -5.954 748 H LEU 101 H LEU 101 1.615 -1.723 -8.919 749 HA LEU 101 HA LEU 101 1.306 -3.995 -10.714 750 HB2 LEU 101 1HB LEU 101 2.636 -1.967 -11.327 751 HB3 LEU 101 2HB LEU 101 3.794 -2.420 -10.078 752 HG LEU 101 HG LEU 101 4.179 -4.556 -11.321 753 HD11 LEU 101 1HD1 LEU 101 2.633 -3.189 -13.516 754 HD12 LEU 101 2HD1 LEU 101 2.030 -4.535 -12.550 755 HD13 LEU 101 3HD1 LEU 101 3.432 -4.759 -13.596 756 HD21 LEU 101 1HD2 LEU 101 5.562 -2.429 -11.519 757 HD22 LEU 101 2HD2 LEU 101 4.729 -2.161 -13.051 758 HD23 LEU 101 3HD2 LEU 101 5.716 -3.606 -12.824 759 H VAL 102 H VAL 102 1.159 -5.865 -9.605 760 HA VAL 102 HA VAL 102 3.210 -6.414 -7.561 761 HB VAL 102 HB VAL 102 1.742 -7.986 -6.542 762 HG11 VAL 102 1HG1 VAL 102 -0.392 -6.515 -6.273 763 HG12 VAL 102 2HG1 VAL 102 1.166 -5.915 -5.700 764 HG13 VAL 102 3HG1 VAL 102 0.515 -5.353 -7.241 765 HG21 VAL 102 1HG2 VAL 102 0.220 -9.148 -7.668 766 HG22 VAL 102 2HG2 VAL 102 -0.655 -7.677 -8.091 767 HG23 VAL 102 3HG2 VAL 102 0.660 -8.246 -9.118 768 H ARG 103 H ARG 103 3.903 -8.710 -7.417 769 HA ARG 103 HA ARG 103 4.262 -9.805 -10.120 770 HB2 ARG 103 1HB ARG 103 6.232 -9.121 -8.554 771 HB3 ARG 103 2HB ARG 103 5.885 -10.642 -7.742 772 HG2 ARG 103 1HG ARG 103 6.360 -11.893 -9.709 773 HG3 ARG 103 2HG ARG 103 6.450 -10.426 -10.687 774 HD2 ARG 103 1HD ARG 103 8.301 -11.053 -8.392 775 HD3 ARG 103 2HD ARG 103 8.666 -11.404 -10.081 776 HE ARG 103 HE ARG 103 8.789 -8.852 -8.781 777 HH11 ARG 103 2HH1 ARG 103 8.326 -10.471 -11.828 778 HH12 ARG 103 1HH1 ARG 103 8.853 -9.119 -12.775 779 HH21 ARG 103 2HH2 ARG 103 9.484 -7.065 -10.017 780 HH22 ARG 103 1HH2 ARG 103 9.512 -7.183 -11.744 781 HA PRO 104 HA PRO 104 1.699 -13.240 -9.066 782 HB2 PRO 104 1HB PRO 104 2.493 -14.925 -11.041 783 HB3 PRO 104 2HB PRO 104 1.440 -13.535 -11.330 784 HG2 PRO 104 1HG PRO 104 4.390 -13.799 -11.765 785 HG3 PRO 104 2HG PRO 104 3.168 -13.049 -12.808 786 HD2 PRO 104 1HD PRO 104 4.794 -11.603 -11.196 787 HD3 PRO 104 2HD PRO 104 3.136 -11.099 -11.580 788 H ASN 105 H ASN 105 1.829 -15.168 -7.970 789 HA ASN 105 HA ASN 105 4.545 -16.139 -7.367 790 HB2 ASN 105 1HB ASN 105 3.619 -16.889 -5.182 791 HB3 ASN 105 2HB ASN 105 3.544 -15.143 -5.399 792 HD21 ASN 105 1HD2 ASN 105 1.980 -16.925 -3.679 793 HD22 ASN 105 2HD2 ASN 105 0.326 -16.648 -4.096 794 H ALA 106 H ALA 106 4.348 -17.543 -9.231 795 HA ALA 106 HA ALA 106 2.324 -19.514 -9.442 796 HB1 ALA 106 1HB ALA 106 3.523 -18.948 -11.407 797 HB2 ALA 106 2HB ALA 106 5.074 -19.307 -10.648 798 HB3 ALA 106 3HB ALA 106 3.950 -20.615 -11.019 799 H VAL 107 H VAL 107 1.995 -21.100 -8.036 800 HA VAL 107 HA VAL 107 4.315 -22.596 -7.032 801 HB VAL 107 HB VAL 107 1.975 -21.734 -5.325 802 HG11 VAL 107 1HG1 VAL 107 3.748 -23.937 -5.084 803 HG12 VAL 107 2HG1 VAL 107 4.143 -22.774 -3.816 804 HG13 VAL 107 3HG1 VAL 107 2.500 -23.401 -3.959 805 HG21 VAL 107 1HG2 VAL 107 4.205 -20.790 -4.099 806 HG22 VAL 107 2HG2 VAL 107 4.646 -20.605 -5.796 807 HG23 VAL 107 3HG2 VAL 107 3.182 -19.841 -5.177 808 H TYR 108 H TYR 108 4.074 -24.762 -7.039 809 HA TYR 108 HA TYR 108 1.638 -25.833 -8.199 810 HB2 TYR 108 1HB TYR 108 2.866 -27.777 -8.676 811 HB3 TYR 108 2HB TYR 108 4.035 -26.477 -8.877 812 HD1 TYR 108 2HD TYR 108 2.839 -28.970 -6.379 813 HD2 TYR 108 1HD TYR 108 6.070 -26.565 -7.750 814 HE1 TYR 108 2HE TYR 108 4.338 -30.077 -4.773 815 HE2 TYR 108 1HE TYR 108 7.578 -27.667 -6.149 816 HH TYR 108 HH TYR 108 7.622 -29.957 -4.940 817 H ASP 109 H ASP 109 0.199 -27.152 -7.204 818 HA ASP 109 HA ASP 109 0.700 -28.462 -4.727 819 HB2 ASP 109 1HB ASP 109 -0.536 -27.182 -3.213 820 HB3 ASP 109 2HB ASP 109 0.346 -25.966 -4.132 821 H VAL 110 H VAL 110 -0.706 -30.105 -4.441 822 HA VAL 110 HA VAL 110 -2.565 -30.702 -6.511 823 HB VAL 110 HB VAL 110 -2.229 -32.050 -3.827 824 HG11 VAL 110 1HG1 VAL 110 -3.888 -33.407 -4.406 825 HG12 VAL 110 2HG1 VAL 110 -4.186 -32.399 -5.823 826 HG13 VAL 110 3HG1 VAL 110 -3.093 -33.778 -5.935 827 HG21 VAL 110 1HG2 VAL 110 -0.712 -32.181 -6.358 828 HG22 VAL 110 2HG2 VAL 110 -0.183 -32.474 -4.702 829 HG23 VAL 110 3HG2 VAL 110 -1.069 -33.722 -5.578 830 H VAL 111 H VAL 111 -4.785 -30.705 -6.506 831 HA VAL 111 HA VAL 111 -6.123 -29.513 -4.170 832 HB VAL 111 HB VAL 111 -5.828 -27.795 -5.928 833 HG11 VAL 111 1HG1 VAL 111 -7.836 -29.052 -7.687 834 HG12 VAL 111 2HG1 VAL 111 -6.438 -28.052 -8.088 835 HG13 VAL 111 3HG1 VAL 111 -6.223 -29.764 -7.718 836 HG21 VAL 111 1HG2 VAL 111 -8.292 -27.218 -6.122 837 HG22 VAL 111 2HG2 VAL 111 -8.612 -28.732 -5.277 838 HG23 VAL 111 3HG2 VAL 111 -7.671 -27.465 -4.491 839 H GLU 112 H GLU 112 -7.943 -30.512 -3.542 840 HA GLU 112 HA GLU 112 -9.167 -32.454 -5.387 841 HB2 GLU 112 1HB GLU 112 -8.594 -32.797 -2.441 842 HB3 GLU 112 2HB GLU 112 -9.643 -33.866 -3.362 843 HG2 GLU 112 1HG GLU 112 -7.692 -34.304 -4.880 844 HG3 GLU 112 2HG GLU 112 -6.692 -33.432 -3.719 845 H GLU 113 H GLU 113 -11.418 -32.854 -5.072 846 HA GLU 113 HA GLU 113 -12.983 -31.447 -3.175 847 HB2 GLU 113 1HB GLU 113 -14.163 -30.011 -4.952 848 HB3 GLU 113 2HB GLU 113 -12.615 -29.450 -4.336 849 HG2 GLU 113 1HG GLU 113 -11.591 -30.622 -6.363 850 HG3 GLU 113 2HG GLU 113 -13.236 -30.683 -6.993 851 H SER 114 H SER 114 -14.524 -32.895 -2.843 852 HA SER 114 HA SER 114 -16.064 -33.898 -5.104 853 HB2 SER 114 1HB SER 114 -14.128 -35.513 -4.475 854 HB3 SER 114 2HB SER 114 -15.110 -35.884 -3.058 855 HG SER 114 HG SER 114 -16.528 -36.886 -4.283 856 H GLY 115 H GLY 115 -18.151 -33.696 -4.650 857 HA2 GLY 115 1HA GLY 115 -19.123 -34.273 -1.961 858 HA3 GLY 115 2HA GLY 115 -19.372 -32.635 -2.546 859 HA PRO 116 HA PRO 116 -22.001 -35.652 -5.308 860 HB2 PRO 116 1HB PRO 116 -22.484 -38.083 -4.202 861 HB3 PRO 116 2HB PRO 116 -21.112 -37.770 -5.272 862 HG2 PRO 116 1HG PRO 116 -21.194 -37.895 -2.282 863 HG3 PRO 116 2HG PRO 116 -19.991 -38.569 -3.398 864 HD2 PRO 116 1HD PRO 116 -19.591 -36.256 -2.049 865 HD3 PRO 116 2HD PRO 116 -18.922 -36.545 -3.668 866 H SER 117 H SER 117 -24.179 -37.024 -4.715 867 HA SER 117 HA SER 117 -25.377 -36.107 -2.241 868 HB2 SER 117 1HB SER 117 -26.171 -35.029 -4.936 869 HB3 SER 117 2HB SER 117 -27.338 -35.119 -3.617 870 HG SER 117 HG SER 117 -26.414 -33.139 -3.445 871 H SER 118 H SER 118 -27.360 -37.140 -1.754 872 HA SER 118 HA SER 118 -28.529 -39.108 -1.555 873 HB2 SER 118 1HB SER 118 -29.753 -37.675 -3.277 874 HB3 SER 118 2HB SER 118 -29.037 -38.717 -4.506 875 HG SER 118 HG SER 118 -29.998 -40.459 -3.036 876 H GLY 119 H GLY 119 -25.849 -39.688 -1.867 877 HA2 GLY 119 1HA GLY 119 -25.934 -42.073 -3.612 878 HA3 GLY 119 2HA GLY 119 -24.479 -41.114 -3.377 Start of MODEL 3 1 H1 GLY 1 H GLY 1 13.296 4.834 -30.060 2 HA2 GLY 1 1HA GLY 1 14.573 3.598 -31.529 3 HA3 GLY 1 2HA GLY 1 14.877 5.076 -32.430 4 H SER 2 H SER 2 16.940 3.473 -32.360 5 HA SER 2 HA SER 2 18.869 4.919 -30.779 6 HB2 SER 2 1HB SER 2 17.880 2.918 -29.387 7 HB3 SER 2 2HB SER 2 18.949 1.948 -30.400 8 HG SER 2 HG SER 2 20.596 3.602 -29.713 9 H SER 3 H SER 3 21.044 4.531 -31.436 10 HA SER 3 HA SER 3 21.367 4.121 -34.187 11 HB2 SER 3 1HB SER 3 22.935 5.459 -32.857 12 HB3 SER 3 2HB SER 3 23.457 4.010 -31.998 13 HG SER 3 HG SER 3 23.634 4.249 -34.811 14 H GLY 4 H GLY 4 22.682 2.482 -35.267 15 HA2 GLY 4 1HA GLY 4 23.443 0.315 -35.617 16 HA3 GLY 4 2HA GLY 4 23.065 -0.058 -33.942 17 H SER 5 H SER 5 22.295 -2.090 -34.938 18 HA SER 5 HA SER 5 19.866 -1.969 -36.494 19 HB2 SER 5 1HB SER 5 21.209 -4.367 -35.223 20 HB3 SER 5 2HB SER 5 19.955 -4.405 -36.462 21 HG SER 5 HG SER 5 21.448 -4.135 -37.903 22 H SER 6 H SER 6 18.420 -0.888 -35.123 23 HA SER 6 HA SER 6 17.107 -2.618 -33.210 24 HB2 SER 6 1HB SER 6 18.633 -1.618 -31.682 25 HB3 SER 6 2HB SER 6 18.409 -0.019 -32.393 26 HG SER 6 HG SER 6 17.245 -0.598 -30.339 27 H GLY 7 H GLY 7 14.953 -2.096 -32.874 28 HA2 GLY 7 1HA GLY 7 13.950 0.257 -34.348 29 HA3 GLY 7 2HA GLY 7 13.202 -1.322 -34.539 30 H ASN 8 H ASN 8 11.200 -0.505 -33.827 31 HA ASN 8 HA ASN 8 11.073 0.369 -31.031 32 HB2 ASN 8 1HB ASN 8 9.283 0.689 -33.403 33 HB3 ASN 8 2HB ASN 8 8.563 0.717 -31.796 34 HD21 ASN 8 1HD2 ASN 8 9.428 2.689 -34.103 35 HD22 ASN 8 2HD2 ASN 8 10.023 4.040 -33.205 36 H GLY 9 H GLY 9 11.213 -1.513 -29.867 37 HA2 GLY 9 1HA GLY 9 8.881 -3.283 -30.077 38 HA3 GLY 9 2HA GLY 9 10.482 -4.004 -30.134 39 H GLY 10 H GLY 10 7.971 -2.893 -28.139 40 HA2 GLY 10 1HA GLY 10 9.536 -3.630 -25.777 41 HA3 GLY 10 2HA GLY 10 8.813 -2.028 -25.801 42 H ILE 11 H ILE 11 7.927 -5.442 -26.291 43 HA ILE 11 HA ILE 11 5.221 -5.336 -26.073 44 HB ILE 11 HB ILE 11 5.248 -7.574 -25.116 45 HG12 ILE 11 1HG1 ILE 11 7.120 -7.039 -23.482 46 HG13 ILE 11 2HG1 ILE 11 7.202 -8.619 -24.254 47 HG21 ILE 11 1HG2 ILE 11 6.839 -8.641 -26.772 48 HG22 ILE 11 2HG2 ILE 11 5.649 -7.525 -27.439 49 HG23 ILE 11 3HG2 ILE 11 7.319 -7.004 -27.218 50 HD11 ILE 11 1HD1 ILE 11 9.387 -7.790 -24.287 51 HD12 ILE 11 2HD1 ILE 11 8.780 -7.545 -25.925 52 HD13 ILE 11 3HD1 ILE 11 8.863 -6.187 -24.803 53 HA PRO 12 HA PRO 12 4.160 -3.764 -22.106 54 HB2 PRO 12 1HB PRO 12 1.748 -4.962 -21.760 55 HB3 PRO 12 2HB PRO 12 2.005 -3.629 -22.892 56 HG2 PRO 12 1HG PRO 12 1.877 -6.571 -23.429 57 HG3 PRO 12 2HG PRO 12 1.155 -5.234 -24.343 58 HD2 PRO 12 1HD PRO 12 3.446 -6.455 -25.113 59 HD3 PRO 12 2HD PRO 12 3.132 -4.734 -25.418 60 H HIS 13 H HIS 13 3.203 -4.606 -19.945 61 HA HIS 13 HA HIS 13 4.848 -6.848 -19.126 62 HB2 HIS 13 1HB HIS 13 3.842 -6.217 -16.828 63 HB3 HIS 13 2HB HIS 13 4.964 -5.092 -17.586 64 HD1 HIS 13 1HD HIS 13 1.366 -5.499 -16.661 65 HD2 HIS 13 2HD HIS 13 3.849 -2.655 -18.396 66 HE1 HIS 13 1HE HIS 13 0.020 -3.375 -16.718 67 HE2 HIS 13 2HE HIS 13 1.512 -1.691 -17.849 68 H ASP 14 H ASP 14 3.911 -8.704 -19.885 69 HA ASP 14 HA ASP 14 1.095 -9.211 -19.309 70 HB2 ASP 14 1HB ASP 14 1.207 -10.990 -20.841 71 HB3 ASP 14 2HB ASP 14 2.243 -9.752 -21.546 72 H ASN 15 H ASN 15 4.303 -10.436 -18.499 73 HA ASN 15 HA ASN 15 3.460 -12.657 -16.980 74 HB2 ASN 15 1HB ASN 15 6.000 -11.021 -16.857 75 HB3 ASN 15 2HB ASN 15 5.756 -12.524 -15.973 76 HD21 ASN 15 1HD2 ASN 15 5.005 -14.380 -17.394 77 HD22 ASN 15 2HD2 ASN 15 5.821 -14.558 -18.907 78 H LEU 16 H LEU 16 4.343 -9.350 -16.025 79 HA LEU 16 HA LEU 16 3.843 -9.761 -13.256 80 HB2 LEU 16 1HB LEU 16 4.323 -7.401 -15.009 81 HB3 LEU 16 2HB LEU 16 3.675 -7.136 -13.392 82 HG LEU 16 HG LEU 16 6.250 -7.018 -13.841 83 HD11 LEU 16 1HD1 LEU 16 4.945 -8.397 -11.507 84 HD12 LEU 16 2HD1 LEU 16 5.349 -6.689 -11.667 85 HD13 LEU 16 3HD1 LEU 16 6.634 -7.888 -11.522 86 HD21 LEU 16 1HD2 LEU 16 6.388 -9.224 -14.909 87 HD22 LEU 16 2HD2 LEU 16 5.846 -9.976 -13.409 88 HD23 LEU 16 3HD2 LEU 16 7.391 -9.127 -13.461 89 H VAL 17 H VAL 17 2.064 -9.305 -12.023 90 HA VAL 17 HA VAL 17 -0.465 -9.158 -13.446 91 HB VAL 17 HB VAL 17 0.073 -9.463 -10.488 92 HG11 VAL 17 1HG1 VAL 17 -2.087 -8.717 -10.493 93 HG12 VAL 17 2HG1 VAL 17 -2.413 -9.332 -12.115 94 HG13 VAL 17 3HG1 VAL 17 -2.366 -10.440 -10.744 95 HG21 VAL 17 1HG2 VAL 17 -0.369 -11.446 -12.696 96 HG22 VAL 17 2HG2 VAL 17 0.908 -11.409 -11.480 97 HG23 VAL 17 3HG2 VAL 17 -0.737 -11.841 -11.016 98 H LEU 18 H LEU 18 -2.011 -7.558 -13.178 99 HA LEU 18 HA LEU 18 -1.087 -5.099 -11.843 100 HB2 LEU 18 1HB LEU 18 -0.974 -4.604 -14.122 101 HB3 LEU 18 2HB LEU 18 -2.453 -5.494 -14.481 102 HG LEU 18 HG LEU 18 -3.573 -3.625 -13.027 103 HD11 LEU 18 1HD1 LEU 18 -2.383 -1.440 -13.468 104 HD12 LEU 18 2HD1 LEU 18 -0.949 -2.400 -13.831 105 HD13 LEU 18 3HD1 LEU 18 -1.676 -2.474 -12.226 106 HD21 LEU 18 1HD2 LEU 18 -2.582 -2.968 -15.794 107 HD22 LEU 18 2HD2 LEU 18 -4.062 -2.405 -15.017 108 HD23 LEU 18 3HD2 LEU 18 -3.890 -4.104 -15.462 109 H ILE 19 H ILE 19 -2.543 -3.980 -10.612 110 HA ILE 19 HA ILE 19 -5.166 -5.266 -10.230 111 HB ILE 19 HB ILE 19 -3.671 -3.593 -8.211 112 HG12 ILE 19 1HG1 ILE 19 -2.498 -5.728 -8.771 113 HG13 ILE 19 2HG1 ILE 19 -3.052 -5.646 -7.103 114 HG21 ILE 19 1HG2 ILE 19 -6.212 -3.797 -8.122 115 HG22 ILE 19 2HG2 ILE 19 -5.943 -5.490 -7.708 116 HG23 ILE 19 3HG2 ILE 19 -5.318 -4.216 -6.661 117 HD11 ILE 19 1HD1 ILE 19 -3.453 -7.731 -8.813 118 HD12 ILE 19 2HD1 ILE 19 -4.384 -7.413 -7.349 119 HD13 ILE 19 3HD1 ILE 19 -4.985 -6.862 -8.913 120 H ARG 20 H ARG 20 -7.004 -4.004 -10.074 121 HA ARG 20 HA ARG 20 -6.710 -1.115 -10.478 122 HB2 ARG 20 1HB ARG 20 -8.429 -2.942 -12.165 123 HB3 ARG 20 2HB ARG 20 -8.506 -1.186 -12.202 124 HG2 ARG 20 1HG ARG 20 -6.482 -0.981 -13.271 125 HG3 ARG 20 2HG ARG 20 -5.898 -2.543 -12.691 126 HD2 ARG 20 1HD ARG 20 -8.218 -2.357 -14.580 127 HD3 ARG 20 2HD ARG 20 -6.558 -2.310 -15.172 128 HE ARG 20 HE ARG 20 -6.945 -4.521 -13.443 129 HH11 ARG 20 2HH1 ARG 20 -7.645 -3.386 -16.659 130 HH12 ARG 20 1HH1 ARG 20 -7.731 -4.976 -17.342 131 HH21 ARG 20 2HH2 ARG 20 -7.056 -6.619 -14.331 132 HH22 ARG 20 1HH2 ARG 20 -7.397 -6.814 -16.017 133 H MET 21 H MET 21 -7.924 -0.030 -9.081 134 HA MET 21 HA MET 21 -10.594 -0.851 -8.420 135 HB2 MET 21 1HB MET 21 -10.215 -1.037 -5.991 136 HB3 MET 21 2HB MET 21 -9.374 -2.294 -6.890 137 HG2 MET 21 1HG MET 21 -7.280 -1.218 -6.602 138 HG3 MET 21 2HG MET 21 -8.046 0.237 -5.968 139 HE1 MET 21 1HE MET 21 -7.199 -3.677 -4.914 140 HE2 MET 21 2HE MET 21 -6.007 -2.443 -5.322 141 HE3 MET 21 3HE MET 21 -6.208 -2.956 -3.646 142 H LYS 22 H LYS 22 -11.681 0.717 -7.006 143 HA LYS 22 HA LYS 22 -10.318 3.298 -6.771 144 HB2 LYS 22 1HB LYS 22 -12.254 4.473 -7.736 145 HB3 LYS 22 2HB LYS 22 -11.492 3.400 -8.903 146 HG2 LYS 22 1HG LYS 22 -13.806 2.406 -7.311 147 HG3 LYS 22 2HG LYS 22 -14.090 3.493 -8.673 148 HD2 LYS 22 1HD LYS 22 -12.771 1.936 -10.104 149 HD3 LYS 22 2HD LYS 22 -12.685 0.824 -8.736 150 HE2 LYS 22 1HE LYS 22 -14.907 0.280 -8.864 151 HE3 LYS 22 2HE LYS 22 -15.356 1.827 -9.581 152 HZ1 LYS 22 1HZ LYS 22 -14.851 1.115 -11.665 153 HZ2 LYS 22 2HZ LYS 22 -15.299 -0.369 -10.990 154 HZ3 LYS 22 3HZ LYS 22 -13.662 0.028 -11.149 155 HA PRO 23 HA PRO 23 -12.291 3.364 -2.837 156 HB2 PRO 23 1HB PRO 23 -12.186 6.031 -2.342 157 HB3 PRO 23 2HB PRO 23 -10.764 4.983 -2.265 158 HG2 PRO 23 1HG PRO 23 -11.664 6.796 -4.471 159 HG3 PRO 23 2HG PRO 23 -10.032 6.545 -3.823 160 HD2 PRO 23 1HD PRO 23 -10.884 5.382 -6.115 161 HD3 PRO 23 2HD PRO 23 -9.716 4.605 -5.027 162 H ASP 24 H ASP 24 -14.394 2.717 -3.567 163 HA ASP 24 HA ASP 24 -16.281 4.968 -3.808 164 HB2 ASP 24 1HB ASP 24 -16.021 3.612 -5.908 165 HB3 ASP 24 2HB ASP 24 -16.647 2.224 -5.022 166 H GLU 25 H GLU 25 -16.575 1.460 -3.257 167 HA GLU 25 HA GLU 25 -18.758 1.307 -1.727 168 HB2 GLU 25 1HB GLU 25 -16.138 -0.131 -1.431 169 HB3 GLU 25 2HB GLU 25 -17.477 -0.482 -0.348 170 HG2 GLU 25 1HG GLU 25 -17.847 -2.061 -1.933 171 HG3 GLU 25 2HG GLU 25 -18.796 -0.740 -2.612 172 H ASN 26 H ASN 26 -15.547 1.819 -0.251 173 HA ASN 26 HA ASN 26 -16.892 3.303 1.910 174 HB2 ASN 26 1HB ASN 26 -14.601 1.343 2.104 175 HB3 ASN 26 2HB ASN 26 -15.034 2.449 3.404 176 HD21 ASN 26 1HD2 ASN 26 -15.312 -0.613 2.480 177 HD22 ASN 26 2HD2 ASN 26 -16.827 -1.032 3.199 178 H GLY 27 H GLY 27 -15.406 4.033 -0.662 179 HA2 GLY 27 1HA GLY 27 -13.957 5.669 -1.364 180 HA3 GLY 27 2HA GLY 27 -14.276 6.426 0.189 181 H ARG 28 H ARG 28 -12.887 3.258 0.121 182 HA ARG 28 HA ARG 28 -10.160 4.202 0.263 183 HB2 ARG 28 1HB ARG 28 -9.700 3.553 2.502 184 HB3 ARG 28 2HB ARG 28 -11.136 4.566 2.565 185 HG2 ARG 28 1HG ARG 28 -12.527 2.532 2.677 186 HG3 ARG 28 2HG ARG 28 -11.054 1.560 2.711 187 HD2 ARG 28 1HD ARG 28 -11.691 1.772 4.959 188 HD3 ARG 28 2HD ARG 28 -10.387 2.939 4.744 189 HE ARG 28 HE ARG 28 -12.810 4.248 4.282 190 HH11 ARG 28 2HH1 ARG 28 -11.086 2.730 6.898 191 HH12 ARG 28 1HH1 ARG 28 -11.797 3.731 8.120 192 HH21 ARG 28 2HH2 ARG 28 -13.753 5.572 5.882 193 HH22 ARG 28 1HH2 ARG 28 -13.314 5.347 7.541 194 H PHE 29 H PHE 29 -8.609 2.486 0.266 195 HA PHE 29 HA PHE 29 -9.649 0.077 -0.986 196 HB2 PHE 29 1HB PHE 29 -6.751 0.773 -0.507 197 HB3 PHE 29 2HB PHE 29 -7.409 -0.357 -1.686 198 HD1 PHE 29 1HD PHE 29 -9.143 0.763 -3.372 199 HD2 PHE 29 2HD PHE 29 -6.066 2.820 -1.269 200 HE1 PHE 29 1HE PHE 29 -9.186 2.550 -5.063 201 HE2 PHE 29 2HE PHE 29 -6.105 4.610 -2.956 202 HZ PHE 29 HZ PHE 29 -7.667 4.477 -4.856 203 H GLY 30 H GLY 30 -9.708 -1.897 -0.078 204 HA2 GLY 30 1HA GLY 30 -9.003 -2.097 2.744 205 HA3 GLY 30 2HA GLY 30 -9.952 -3.254 1.822 206 H PHE 31 H PHE 31 -6.651 -1.995 2.177 207 HA PHE 31 HA PHE 31 -5.591 -4.671 2.157 208 HB2 PHE 31 1HB PHE 31 -4.305 -4.579 0.194 209 HB3 PHE 31 2HB PHE 31 -5.870 -3.940 -0.298 210 HD1 PHE 31 1HD PHE 31 -2.425 -2.998 0.644 211 HD2 PHE 31 2HD PHE 31 -6.084 -1.753 -1.138 212 HE1 PHE 31 1HE PHE 31 -1.325 -0.957 -0.180 213 HE2 PHE 31 2HE PHE 31 -4.991 0.289 -1.965 214 HZ PHE 31 HZ PHE 31 -2.608 0.689 -1.487 215 H ASN 32 H ASN 32 -3.909 -4.754 3.498 216 HA ASN 32 HA ASN 32 -2.663 -2.224 4.310 217 HB2 ASN 32 1HB ASN 32 -3.111 -4.850 5.675 218 HB3 ASN 32 2HB ASN 32 -1.773 -3.831 6.198 219 HD21 ASN 32 1HD2 ASN 32 -2.483 -3.135 8.117 220 HD22 ASN 32 2HD2 ASN 32 -3.937 -2.234 8.363 221 H VAL 33 H VAL 33 -0.320 -2.380 4.935 222 HA VAL 33 HA VAL 33 1.185 -4.313 3.329 223 HB VAL 33 HB VAL 33 2.658 -2.560 2.446 224 HG11 VAL 33 1HG1 VAL 33 1.180 -3.057 0.796 225 HG12 VAL 33 2HG1 VAL 33 -0.228 -2.679 1.790 226 HG13 VAL 33 3HG1 VAL 33 0.713 -1.378 1.060 227 HG21 VAL 33 1HG2 VAL 33 2.067 -0.950 4.341 228 HG22 VAL 33 2HG2 VAL 33 2.282 -0.263 2.732 229 HG23 VAL 33 3HG2 VAL 33 0.659 -0.519 3.371 230 H LYS 34 H LYS 34 3.588 -4.120 3.803 231 HA LYS 34 HA LYS 34 4.276 -2.999 6.380 232 HB2 LYS 34 1HB LYS 34 4.940 -5.083 7.406 233 HB3 LYS 34 2HB LYS 34 3.245 -5.183 6.949 234 HG2 LYS 34 1HG LYS 34 4.148 -6.298 4.792 235 HG3 LYS 34 2HG LYS 34 5.609 -6.557 5.749 236 HD2 LYS 34 1HD LYS 34 4.496 -7.919 7.292 237 HD3 LYS 34 2HD LYS 34 2.905 -7.344 6.787 238 HE2 LYS 34 1HE LYS 34 4.753 -8.957 5.036 239 HE3 LYS 34 2HE LYS 34 3.472 -9.657 6.024 240 HZ1 LYS 34 1HZ LYS 34 2.066 -9.245 4.386 241 HZ2 LYS 34 2HZ LYS 34 3.277 -8.500 3.471 242 HZ3 LYS 34 3HZ LYS 34 2.346 -7.585 4.546 243 H GLY 35 H GLY 35 6.633 -3.619 6.930 244 HA2 GLY 35 1HA GLY 35 8.846 -3.904 6.285 245 HA3 GLY 35 2HA GLY 35 8.293 -4.305 4.666 246 H GLY 36 H GLY 36 9.959 -2.988 3.791 247 HA2 GLY 36 1HA GLY 36 9.661 -0.789 2.560 248 HA3 GLY 36 2HA GLY 36 9.533 -0.092 4.168 249 H TYR 37 H TYR 37 11.401 0.916 2.504 250 HA TYR 37 HA TYR 37 13.911 -0.255 2.434 251 HB2 TYR 37 1HB TYR 37 13.230 1.843 1.250 252 HB3 TYR 37 2HB TYR 37 13.359 2.698 2.783 253 HD1 TYR 37 1HD TYR 37 15.555 3.056 3.826 254 HD2 TYR 37 2HD TYR 37 15.191 1.195 0.017 255 HE1 TYR 37 1HE TYR 37 17.950 3.438 3.417 256 HE2 TYR 37 2HE TYR 37 17.585 1.571 -0.402 257 HH TYR 37 HH TYR 37 19.371 3.097 0.367 258 H ASP 38 H ASP 38 12.191 1.047 5.104 259 HA ASP 38 HA ASP 38 14.355 1.723 6.788 260 HB2 ASP 38 1HB ASP 38 12.236 2.561 7.413 261 HB3 ASP 38 2HB ASP 38 11.488 0.969 7.322 262 H GLN 39 H GLN 39 12.609 -1.289 6.228 263 HA GLN 39 HA GLN 39 14.463 -2.661 8.054 264 HB2 GLN 39 1HB GLN 39 11.665 -3.251 7.162 265 HB3 GLN 39 2HB GLN 39 12.700 -4.563 7.708 266 HG2 GLN 39 1HG GLN 39 12.357 -2.124 9.394 267 HG3 GLN 39 2HG GLN 39 11.123 -3.383 9.385 268 HE21 GLN 39 1HE2 GLN 39 13.421 -2.327 11.233 269 HE22 GLN 39 2HE2 GLN 39 14.090 -3.792 11.857 270 H LYS 40 H LYS 40 14.947 -1.825 5.231 271 HA LYS 40 HA LYS 40 15.644 -2.687 3.215 272 HB2 LYS 40 1HB LYS 40 16.984 -4.443 5.272 273 HB3 LYS 40 2HB LYS 40 17.403 -4.479 3.564 274 HG2 LYS 40 1HG LYS 40 18.980 -3.031 4.343 275 HG3 LYS 40 2HG LYS 40 17.701 -1.893 3.913 276 HD2 LYS 40 1HD LYS 40 18.418 -1.235 6.055 277 HD3 LYS 40 2HD LYS 40 16.912 -2.115 6.324 278 HE2 LYS 40 1HE LYS 40 18.300 -2.999 7.950 279 HE3 LYS 40 2HE LYS 40 18.461 -4.169 6.641 280 HZ1 LYS 40 1HZ LYS 40 20.374 -2.130 6.312 281 HZ2 LYS 40 2HZ LYS 40 20.625 -3.781 6.578 282 HZ3 LYS 40 3HZ LYS 40 20.481 -2.725 7.892 283 H MET 41 H MET 41 13.078 -3.644 3.836 284 HA MET 41 HA MET 41 13.196 -6.296 2.570 285 HB2 MET 41 1HB MET 41 11.530 -7.182 3.970 286 HB3 MET 41 2HB MET 41 12.617 -6.336 5.063 287 HG2 MET 41 1HG MET 41 11.112 -4.564 5.365 288 HG3 MET 41 2HG MET 41 10.140 -5.046 3.977 289 HE1 MET 41 1HE MET 41 7.737 -6.796 4.555 290 HE2 MET 41 2HE MET 41 9.220 -7.310 3.751 291 HE3 MET 41 3HE MET 41 8.533 -8.291 5.046 292 HA PRO 42 HA PRO 42 10.376 -4.682 -0.385 293 HB2 PRO 42 1HB PRO 42 9.034 -6.935 -1.087 294 HB3 PRO 42 2HB PRO 42 10.705 -6.622 -1.570 295 HG2 PRO 42 1HG PRO 42 9.665 -8.319 0.666 296 HG3 PRO 42 2HG PRO 42 10.971 -8.661 -0.483 297 HD2 PRO 42 1HD PRO 42 11.441 -7.807 2.043 298 HD3 PRO 42 2HD PRO 42 12.500 -7.388 0.681 299 H VAL 43 H VAL 43 8.183 -4.152 -0.751 300 HA VAL 43 HA VAL 43 6.561 -4.200 1.659 301 HB VAL 43 HB VAL 43 5.993 -2.861 -0.989 302 HG11 VAL 43 1HG1 VAL 43 4.413 -1.505 0.327 303 HG12 VAL 43 2HG1 VAL 43 3.983 -3.216 0.316 304 HG13 VAL 43 3HG1 VAL 43 4.752 -2.508 1.737 305 HG21 VAL 43 1HG2 VAL 43 7.593 -1.418 -0.436 306 HG22 VAL 43 2HG2 VAL 43 6.593 -0.935 0.935 307 HG23 VAL 43 3HG2 VAL 43 7.823 -2.183 1.137 308 H ILE 44 H ILE 44 5.402 -5.993 1.978 309 HA ILE 44 HA ILE 44 3.912 -7.104 -0.311 310 HB ILE 44 HB ILE 44 4.879 -8.570 2.147 311 HG12 ILE 44 1HG1 ILE 44 6.122 -9.853 0.218 312 HG13 ILE 44 2HG1 ILE 44 5.893 -8.347 -0.664 313 HG21 ILE 44 1HG2 ILE 44 4.093 -10.585 0.892 314 HG22 ILE 44 2HG2 ILE 44 2.806 -9.513 1.441 315 HG23 ILE 44 3HG2 ILE 44 3.307 -9.494 -0.249 316 HD11 ILE 44 1HD1 ILE 44 6.900 -7.678 1.884 317 HD12 ILE 44 2HD1 ILE 44 7.875 -9.007 1.256 318 HD13 ILE 44 3HD1 ILE 44 7.691 -7.528 0.315 319 H VAL 45 H VAL 45 1.754 -7.531 -0.076 320 HA VAL 45 HA VAL 45 0.211 -5.999 1.623 321 HB VAL 45 HB VAL 45 -0.512 -8.619 0.307 322 HG11 VAL 45 1HG1 VAL 45 -2.373 -8.550 1.530 323 HG12 VAL 45 2HG1 VAL 45 -1.993 -6.942 2.151 324 HG13 VAL 45 3HG1 VAL 45 -2.820 -7.118 0.602 325 HG21 VAL 45 1HG2 VAL 45 -1.428 -7.303 -1.455 326 HG22 VAL 45 2HG2 VAL 45 -1.172 -5.808 -0.554 327 HG23 VAL 45 3HG2 VAL 45 0.210 -6.718 -1.164 328 H SER 46 H SER 46 -0.369 -6.119 3.693 329 HA SER 46 HA SER 46 0.598 -8.309 5.311 330 HB2 SER 46 1HB SER 46 0.855 -6.115 6.241 331 HB3 SER 46 2HB SER 46 -0.850 -5.742 5.986 332 HG SER 46 HG SER 46 -1.373 -6.869 7.715 333 H ARG 47 H ARG 47 -2.590 -6.722 5.053 334 HA ARG 47 HA ARG 47 -3.869 -9.348 5.107 335 HB2 ARG 47 1HB ARG 47 -3.692 -8.502 7.466 336 HB3 ARG 47 2HB ARG 47 -4.697 -7.139 6.992 337 HG2 ARG 47 1HG ARG 47 -6.590 -8.396 6.863 338 HG3 ARG 47 2HG ARG 47 -5.716 -9.868 6.437 339 HD2 ARG 47 1HD ARG 47 -6.293 -10.391 8.578 340 HD3 ARG 47 2HD ARG 47 -4.764 -9.571 8.889 341 HE ARG 47 HE ARG 47 -6.811 -7.667 8.947 342 HH11 ARG 47 2HH1 ARG 47 -5.704 -10.427 10.758 343 HH12 ARG 47 1HH1 ARG 47 -6.323 -9.847 12.269 344 HH21 ARG 47 2HH2 ARG 47 -7.630 -6.894 10.930 345 HH22 ARG 47 1HH2 ARG 47 -7.419 -7.838 12.365 346 H VAL 48 H VAL 48 -6.223 -9.198 4.630 347 HA VAL 48 HA VAL 48 -6.988 -6.769 3.182 348 HB VAL 48 HB VAL 48 -7.299 -9.510 1.959 349 HG11 VAL 48 1HG1 VAL 48 -7.397 -7.144 0.252 350 HG12 VAL 48 2HG1 VAL 48 -8.481 -8.534 0.329 351 HG13 VAL 48 3HG1 VAL 48 -8.678 -7.196 1.462 352 HG21 VAL 48 1HG2 VAL 48 -5.026 -9.249 1.764 353 HG22 VAL 48 2HG2 VAL 48 -5.576 -8.433 0.300 354 HG23 VAL 48 3HG2 VAL 48 -5.121 -7.489 1.718 355 H ALA 49 H ALA 49 -8.882 -6.146 3.962 356 HA ALA 49 HA ALA 49 -10.614 -8.004 5.341 357 HB1 ALA 49 1HB ALA 49 -10.393 -5.885 6.367 358 HB2 ALA 49 2HB ALA 49 -10.753 -5.037 4.863 359 HB3 ALA 49 3HB ALA 49 -12.022 -5.938 5.692 360 HA PRO 50 HA PRO 50 -13.368 -8.911 2.038 361 HB2 PRO 50 1HB PRO 50 -15.670 -9.307 3.422 362 HB3 PRO 50 2HB PRO 50 -14.327 -10.456 3.442 363 HG2 PRO 50 1HG PRO 50 -15.060 -8.366 5.455 364 HG3 PRO 50 2HG PRO 50 -14.537 -10.039 5.720 365 HD2 PRO 50 1HD PRO 50 -12.861 -7.930 5.985 366 HD3 PRO 50 2HD PRO 50 -12.310 -9.522 5.426 367 H GLY 51 H GLY 51 -15.624 -8.292 1.213 368 HA2 GLY 51 1HA GLY 51 -16.866 -6.599 0.268 369 HA3 GLY 51 2HA GLY 51 -17.063 -6.079 1.935 370 H THR 52 H THR 52 -14.249 -6.093 -0.244 371 HA THR 52 HA THR 52 -14.132 -3.165 0.016 372 HB THR 52 HB THR 52 -11.583 -3.448 0.023 373 HG1 THR 52 1HG THR 52 -11.114 -5.556 1.191 374 HG21 THR 52 1HG2 THR 52 -13.506 -3.459 2.127 375 HG22 THR 52 2HG2 THR 52 -11.874 -2.790 2.130 376 HG23 THR 52 3HG2 THR 52 -12.142 -4.465 2.611 377 HA PRO 53 HA PRO 53 -13.513 -3.062 -4.330 378 HB2 PRO 53 1HB PRO 53 -11.921 -0.879 -4.588 379 HB3 PRO 53 2HB PRO 53 -13.636 -0.773 -4.174 380 HG2 PRO 53 1HG PRO 53 -11.243 -0.636 -2.381 381 HG3 PRO 53 2HG PRO 53 -12.712 0.358 -2.364 382 HD2 PRO 53 1HD PRO 53 -12.327 -1.703 -0.650 383 HD3 PRO 53 2HD PRO 53 -13.935 -1.246 -1.248 384 H ALA 54 H ALA 54 -11.135 -3.994 -2.251 385 HA ALA 54 HA ALA 54 -9.086 -4.223 -4.347 386 HB1 ALA 54 1HB ALA 54 -7.533 -4.742 -2.489 387 HB2 ALA 54 2HB ALA 54 -8.277 -3.149 -2.350 388 HB3 ALA 54 3HB ALA 54 -8.857 -4.482 -1.352 389 H ASP 55 H ASP 55 -11.377 -6.004 -2.543 390 HA ASP 55 HA ASP 55 -10.046 -8.555 -3.082 391 HB2 ASP 55 1HB ASP 55 -11.122 -7.981 -0.827 392 HB3 ASP 55 2HB ASP 55 -12.669 -8.188 -1.644 393 H LEU 56 H LEU 56 -13.205 -6.996 -3.606 394 HA LEU 56 HA LEU 56 -14.247 -9.010 -5.279 395 HB2 LEU 56 1HB LEU 56 -14.962 -6.086 -5.332 396 HB3 LEU 56 2HB LEU 56 -15.963 -7.441 -5.850 397 HG LEU 56 HG LEU 56 -15.093 -7.278 -2.999 398 HD11 LEU 56 1HD1 LEU 56 -17.213 -5.999 -2.559 399 HD12 LEU 56 2HD1 LEU 56 -17.264 -5.638 -4.284 400 HD13 LEU 56 3HD1 LEU 56 -15.910 -5.074 -3.306 401 HD21 LEU 56 1HD2 LEU 56 -17.621 -8.122 -2.973 402 HD22 LEU 56 2HD2 LEU 56 -16.259 -9.210 -3.240 403 HD23 LEU 56 3HD2 LEU 56 -17.190 -8.608 -4.613 404 H CYS 57 H CYS 57 -11.991 -6.479 -5.848 405 HA CYS 57 HA CYS 57 -12.363 -6.117 -8.620 406 HB2 CYS 57 1HB CYS 57 -10.380 -4.888 -8.588 407 HB3 CYS 57 2HB CYS 57 -10.963 -4.727 -6.936 408 HG CYS 57 HG CYS 57 -9.179 -7.316 -6.695 409 H VAL 58 H VAL 58 -10.828 -6.789 -10.320 410 HA VAL 58 HA VAL 58 -9.785 -9.506 -9.847 411 HB VAL 58 HB VAL 58 -11.294 -8.477 -12.247 412 HG11 VAL 58 1HG1 VAL 58 -9.539 -9.675 -13.229 413 HG12 VAL 58 2HG1 VAL 58 -9.541 -10.897 -11.956 414 HG13 VAL 58 3HG1 VAL 58 -10.859 -10.838 -13.127 415 HG21 VAL 58 1HG2 VAL 58 -12.785 -10.344 -11.789 416 HG22 VAL 58 2HG2 VAL 58 -11.774 -10.840 -10.431 417 HG23 VAL 58 3HG2 VAL 58 -12.643 -9.306 -10.370 418 HA PRO 59 HA PRO 59 -8.378 -10.855 -10.282 419 HB2 PRO 59 1HB PRO 59 -5.924 -11.130 -9.154 420 HB3 PRO 59 2HB PRO 59 -6.253 -11.524 -10.846 421 HG2 PRO 59 1HG PRO 59 -5.026 -9.055 -9.680 422 HG3 PRO 59 2HG PRO 59 -4.540 -9.975 -11.116 423 HD2 PRO 59 1HD PRO 59 -5.976 -7.685 -11.270 424 HD3 PRO 59 2HD PRO 59 -6.162 -9.008 -12.438 425 H ARG 60 H ARG 60 -7.842 -11.620 -7.939 426 HA ARG 60 HA ARG 60 -8.817 -9.535 -6.161 427 HB2 ARG 60 1HB ARG 60 -9.967 -11.638 -6.030 428 HB3 ARG 60 2HB ARG 60 -8.456 -12.512 -5.815 429 HG2 ARG 60 1HG ARG 60 -8.196 -11.120 -3.671 430 HG3 ARG 60 2HG ARG 60 -9.915 -10.772 -3.867 431 HD2 ARG 60 1HD ARG 60 -10.540 -12.938 -3.458 432 HD3 ARG 60 2HD ARG 60 -9.015 -13.601 -4.044 433 HE ARG 60 HE ARG 60 -8.358 -12.224 -1.772 434 HH11 ARG 60 2HH1 ARG 60 -10.549 -14.811 -2.565 435 HH12 ARG 60 1HH1 ARG 60 -10.451 -15.549 -1.000 436 HH21 ARG 60 2HH2 ARG 60 -8.220 -13.186 0.292 437 HH22 ARG 60 1HH2 ARG 60 -9.127 -14.623 0.624 438 H LEU 61 H LEU 61 -7.518 -8.386 -4.903 439 HA LEU 61 HA LEU 61 -4.728 -8.889 -4.736 440 HB2 LEU 61 1HB LEU 61 -5.994 -6.658 -4.581 441 HB3 LEU 61 2HB LEU 61 -6.244 -7.077 -2.888 442 HG LEU 61 HG LEU 61 -3.750 -7.204 -2.647 443 HD11 LEU 61 1HD1 LEU 61 -2.336 -6.822 -4.341 444 HD12 LEU 61 2HD1 LEU 61 -3.332 -5.533 -5.016 445 HD13 LEU 61 3HD1 LEU 61 -3.716 -7.218 -5.366 446 HD21 LEU 61 1HD2 LEU 61 -3.642 -4.544 -3.174 447 HD22 LEU 61 2HD2 LEU 61 -4.357 -5.249 -1.724 448 HD23 LEU 61 3HD2 LEU 61 -5.384 -4.807 -3.089 449 H ASN 62 H ASN 62 -4.305 -10.853 -3.791 450 HA ASN 62 HA ASN 62 -5.329 -11.328 -1.086 451 HB2 ASN 62 1HB ASN 62 -4.720 -13.622 -1.378 452 HB3 ASN 62 2HB ASN 62 -5.522 -13.112 -2.860 453 HD21 ASN 62 1HD2 ASN 62 -4.197 -12.609 -4.696 454 HD22 ASN 62 2HD2 ASN 62 -2.661 -13.377 -4.884 455 H GLU 63 H GLU 63 -3.796 -12.253 0.511 456 HA GLU 63 HA GLU 63 -1.612 -10.541 0.923 457 HB2 GLU 63 1HB GLU 63 -2.278 -13.208 2.176 458 HB3 GLU 63 2HB GLU 63 -0.993 -12.152 2.743 459 HG2 GLU 63 1HG GLU 63 -2.672 -11.554 4.158 460 HG3 GLU 63 2HG GLU 63 -2.921 -10.384 2.864 461 H GLY 64 H GLY 64 0.635 -10.928 0.884 462 HA2 GLY 64 1HA GLY 64 2.532 -12.314 0.392 463 HA3 GLY 64 2HA GLY 64 1.506 -13.277 -0.661 464 H ASP 65 H ASP 65 0.287 -11.150 -2.078 465 HA ASP 65 HA ASP 65 2.021 -10.802 -4.198 466 HB2 ASP 65 1HB ASP 65 -0.332 -9.115 -3.333 467 HB3 ASP 65 2HB ASP 65 0.498 -8.907 -4.873 468 H GLN 66 H GLN 66 4.005 -9.960 -3.984 469 HA GLN 66 HA GLN 66 4.623 -7.830 -2.191 470 HB2 GLN 66 1HB GLN 66 6.352 -9.399 -2.662 471 HB3 GLN 66 2HB GLN 66 6.178 -9.173 -4.397 472 HG2 GLN 66 1HG GLN 66 6.874 -6.746 -3.948 473 HG3 GLN 66 2HG GLN 66 7.419 -7.344 -2.382 474 HE21 GLN 66 1HE2 GLN 66 8.393 -6.658 -5.421 475 HE22 GLN 66 2HE2 GLN 66 9.773 -7.692 -5.534 476 H VAL 67 H VAL 67 4.172 -5.762 -2.500 477 HA VAL 67 HA VAL 67 3.280 -4.720 -4.987 478 HB VAL 67 HB VAL 67 4.196 -3.138 -2.584 479 HG11 VAL 67 1HG1 VAL 67 3.661 -1.368 -3.812 480 HG12 VAL 67 2HG1 VAL 67 3.160 -2.408 -5.147 481 HG13 VAL 67 3HG1 VAL 67 2.001 -1.956 -3.896 482 HG21 VAL 67 1HG2 VAL 67 1.398 -4.090 -3.163 483 HG22 VAL 67 2HG2 VAL 67 2.498 -4.915 -2.059 484 HG23 VAL 67 3HG2 VAL 67 1.981 -3.263 -1.718 485 H VAL 68 H VAL 68 4.617 -4.495 -6.662 486 HA VAL 68 HA VAL 68 7.417 -3.880 -6.296 487 HB VAL 68 HB VAL 68 5.818 -4.168 -8.844 488 HG11 VAL 68 1HG1 VAL 68 8.191 -2.921 -8.634 489 HG12 VAL 68 2HG1 VAL 68 8.738 -4.588 -8.820 490 HG13 VAL 68 3HG1 VAL 68 7.704 -3.855 -10.047 491 HG21 VAL 68 1HG2 VAL 68 6.619 -6.113 -6.977 492 HG22 VAL 68 2HG2 VAL 68 5.956 -6.371 -8.590 493 HG23 VAL 68 3HG2 VAL 68 7.702 -6.271 -8.360 494 H LEU 69 H LEU 69 4.703 -2.338 -8.023 495 HA LEU 69 HA LEU 69 5.863 0.274 -7.400 496 HB2 LEU 69 1HB LEU 69 5.100 -0.676 -10.153 497 HB3 LEU 69 2HB LEU 69 5.356 1.017 -9.740 498 HG LEU 69 HG LEU 69 7.480 -1.099 -9.443 499 HD11 LEU 69 1HD1 LEU 69 8.330 0.303 -11.537 500 HD12 LEU 69 2HD1 LEU 69 6.594 0.451 -11.806 501 HD13 LEU 69 3HD1 LEU 69 7.337 -1.145 -11.706 502 HD21 LEU 69 1HD2 LEU 69 7.359 1.868 -9.151 503 HD22 LEU 69 2HD2 LEU 69 8.859 1.106 -9.683 504 HD23 LEU 69 3HD2 LEU 69 8.149 0.667 -8.129 505 H ILE 70 H ILE 70 4.379 1.913 -7.148 506 HA ILE 70 HA ILE 70 1.554 1.086 -7.246 507 HB ILE 70 HB ILE 70 2.880 3.142 -5.476 508 HG12 ILE 70 1HG1 ILE 70 1.505 0.553 -4.736 509 HG13 ILE 70 2HG1 ILE 70 3.248 0.722 -4.910 510 HG21 ILE 70 1HG2 ILE 70 0.876 4.105 -5.371 511 HG22 ILE 70 2HG2 ILE 70 0.119 2.792 -6.271 512 HG23 ILE 70 3HG2 ILE 70 0.323 2.660 -4.524 513 HD11 ILE 70 1HD1 ILE 70 2.988 0.957 -2.651 514 HD12 ILE 70 2HD1 ILE 70 2.938 2.641 -3.172 515 HD13 ILE 70 3HD1 ILE 70 1.440 1.787 -2.804 516 H ASN 71 H ASN 71 0.510 1.922 -8.921 517 HA ASN 71 HA ASN 71 -0.226 3.369 -10.514 518 HB2 ASN 71 1HB ASN 71 0.783 5.542 -8.669 519 HB3 ASN 71 2HB ASN 71 -0.464 5.691 -9.904 520 HD21 ASN 71 1HD2 ASN 71 -0.048 5.585 -6.724 521 HD22 ASN 71 2HD2 ASN 71 -1.530 4.850 -6.227 522 H GLY 72 H GLY 72 2.234 2.297 -11.047 523 HA2 GLY 72 1HA GLY 72 4.100 2.577 -12.354 524 HA3 GLY 72 2HA GLY 72 3.238 3.941 -13.051 525 H ARG 73 H ARG 73 4.176 3.720 -9.675 526 HA ARG 73 HA ARG 73 6.230 5.775 -10.154 527 HB2 ARG 73 1HB ARG 73 4.116 5.721 -7.999 528 HB3 ARG 73 2HB ARG 73 5.532 6.762 -7.935 529 HG2 ARG 73 1HG ARG 73 4.816 8.064 -9.715 530 HG3 ARG 73 2HG ARG 73 3.706 6.823 -10.301 531 HD2 ARG 73 1HD ARG 73 2.446 7.167 -8.105 532 HD3 ARG 73 2HD ARG 73 3.407 8.634 -7.924 533 HE ARG 73 HE ARG 73 2.360 8.893 -10.400 534 HH11 ARG 73 2HH1 ARG 73 0.971 8.202 -7.284 535 HH12 ARG 73 1HH1 ARG 73 -0.548 8.952 -7.649 536 HH21 ARG 73 2HH2 ARG 73 0.365 9.883 -10.893 537 HH22 ARG 73 1HH2 ARG 73 -0.892 9.907 -9.703 538 H ASP 74 H ASP 74 8.063 5.675 -8.890 539 HA ASP 74 HA ASP 74 8.622 3.108 -7.708 540 HB2 ASP 74 1HB ASP 74 10.900 3.980 -7.418 541 HB3 ASP 74 2HB ASP 74 10.321 4.245 -9.060 542 H ILE 75 H ILE 75 7.899 2.681 -5.728 543 HA ILE 75 HA ILE 75 8.066 4.802 -3.689 544 HB ILE 75 HB ILE 75 6.304 3.633 -2.463 545 HG12 ILE 75 1HG1 ILE 75 5.049 1.859 -3.969 546 HG13 ILE 75 2HG1 ILE 75 6.647 1.654 -4.678 547 HG21 ILE 75 1HG2 ILE 75 4.511 3.840 -4.395 548 HG22 ILE 75 2HG2 ILE 75 5.311 5.258 -3.718 549 HG23 ILE 75 3HG2 ILE 75 5.870 4.577 -5.245 550 HD11 ILE 75 1HD1 ILE 75 5.901 0.142 -2.717 551 HD12 ILE 75 2HD1 ILE 75 7.539 0.797 -2.737 552 HD13 ILE 75 3HD1 ILE 75 6.306 1.538 -1.718 553 H ALA 76 H ALA 76 10.023 2.637 -4.643 554 HA ALA 76 HA ALA 76 10.329 0.862 -2.419 555 HB1 ALA 76 1HB ALA 76 11.598 1.285 -4.995 556 HB2 ALA 76 2HB ALA 76 12.763 0.910 -3.724 557 HB3 ALA 76 3HB ALA 76 11.425 -0.193 -4.047 558 H GLU 77 H GLU 77 11.224 4.100 -3.047 559 HA GLU 77 HA GLU 77 13.351 4.071 -1.041 560 HB2 GLU 77 1HB GLU 77 13.871 6.310 -1.772 561 HB3 GLU 77 2HB GLU 77 13.710 5.275 -3.184 562 HG2 GLU 77 1HG GLU 77 11.732 6.256 -3.846 563 HG3 GLU 77 2HG GLU 77 11.368 6.857 -2.230 564 H HIS 78 H HIS 78 10.115 4.221 -0.980 565 HA HIS 78 HA HIS 78 9.914 6.354 1.011 566 HB2 HIS 78 1HB HIS 78 7.913 4.798 -0.595 567 HB3 HIS 78 2HB HIS 78 7.407 5.644 0.864 568 HD1 HIS 78 1HD HIS 78 6.461 6.391 -2.043 569 HD2 HIS 78 2HD HIS 78 9.491 8.282 0.079 570 HE1 HIS 78 1HE HIS 78 6.645 8.692 -3.041 571 HE2 HIS 78 2HE HIS 78 8.542 9.788 -1.797 572 H THR 79 H THR 79 9.133 6.004 3.103 573 HA THR 79 HA THR 79 9.737 3.364 4.158 574 HB THR 79 HB THR 79 9.369 4.467 6.389 575 HG1 THR 79 1HG THR 79 9.361 6.841 6.237 576 HG21 THR 79 1HG2 THR 79 11.503 5.325 6.442 577 HG22 THR 79 2HG2 THR 79 11.332 6.134 4.884 578 HG23 THR 79 3HG2 THR 79 11.572 4.389 4.950 579 H HIS 80 H HIS 80 8.308 2.255 5.624 580 HA HIS 80 HA HIS 80 5.887 1.552 4.751 581 HB2 HIS 80 1HB HIS 80 6.787 0.429 6.653 582 HB3 HIS 80 2HB HIS 80 6.747 1.898 7.624 583 HD1 HIS 80 1HD HIS 80 5.100 -1.130 7.543 584 HD2 HIS 80 2HD HIS 80 3.727 2.791 7.554 585 HE1 HIS 80 1HE HIS 80 2.733 -1.249 8.384 586 HE2 HIS 80 2HE HIS 80 1.895 1.125 8.300 587 H ASP 81 H ASP 81 6.315 4.172 7.134 588 HA ASP 81 HA ASP 81 3.660 4.993 7.254 589 HB2 ASP 81 1HB ASP 81 5.476 5.738 8.793 590 HB3 ASP 81 2HB ASP 81 6.095 6.769 7.507 591 H GLN 82 H GLN 82 6.273 6.513 5.354 592 HA GLN 82 HA GLN 82 4.774 8.344 3.958 593 HB2 GLN 82 1HB GLN 82 7.233 6.793 3.187 594 HB3 GLN 82 2HB GLN 82 6.523 7.981 2.102 595 HG2 GLN 82 1HG GLN 82 6.682 9.550 4.179 596 HG3 GLN 82 2HG GLN 82 7.886 8.381 4.719 597 HE21 GLN 82 1HE2 GLN 82 7.226 11.024 2.690 598 HE22 GLN 82 2HE2 GLN 82 8.760 11.106 1.899 599 H VAL 83 H VAL 83 5.741 5.165 2.652 600 HA VAL 83 HA VAL 83 4.342 5.072 0.348 601 HB VAL 83 HB VAL 83 4.675 2.858 2.368 602 HG11 VAL 83 1HG1 VAL 83 3.089 2.921 -0.066 603 HG12 VAL 83 2HG1 VAL 83 4.325 1.661 -0.093 604 HG13 VAL 83 3HG1 VAL 83 3.145 1.713 1.217 605 HG21 VAL 83 1HG2 VAL 83 6.133 3.597 -0.164 606 HG22 VAL 83 2HG2 VAL 83 6.760 3.646 1.484 607 HG23 VAL 83 3HG2 VAL 83 6.392 2.097 0.727 608 H VAL 84 H VAL 84 2.980 4.056 3.485 609 HA VAL 84 HA VAL 84 0.425 3.435 2.732 610 HB VAL 84 HB VAL 84 1.393 4.788 5.244 611 HG11 VAL 84 1HG1 VAL 84 -1.048 3.563 5.799 612 HG12 VAL 84 2HG1 VAL 84 -0.715 5.295 5.746 613 HG13 VAL 84 3HG1 VAL 84 -1.318 4.468 4.309 614 HG21 VAL 84 1HG2 VAL 84 1.182 2.609 6.230 615 HG22 VAL 84 2HG2 VAL 84 0.442 1.966 4.763 616 HG23 VAL 84 3HG2 VAL 84 2.134 2.463 4.753 617 H LEU 85 H LEU 85 1.686 6.663 3.504 618 HA LEU 85 HA LEU 85 -0.794 7.993 3.060 619 HB2 LEU 85 1HB LEU 85 2.025 8.803 3.515 620 HB3 LEU 85 2HB LEU 85 0.941 9.988 2.790 621 HG LEU 85 HG LEU 85 -0.587 9.535 4.800 622 HD11 LEU 85 1HD1 LEU 85 0.990 8.933 6.812 623 HD12 LEU 85 2HD1 LEU 85 1.882 8.060 5.566 624 HD13 LEU 85 3HD1 LEU 85 0.190 7.671 5.875 625 HD21 LEU 85 1HD2 LEU 85 1.298 10.880 6.235 626 HD22 LEU 85 2HD2 LEU 85 0.222 11.611 5.043 627 HD23 LEU 85 3HD2 LEU 85 1.857 11.134 4.582 628 H PHE 86 H PHE 86 1.946 7.153 1.053 629 HA PHE 86 HA PHE 86 1.495 8.840 -1.120 630 HB2 PHE 86 1HB PHE 86 3.423 7.128 -0.613 631 HB3 PHE 86 2HB PHE 86 2.424 6.027 -1.556 632 HD1 PHE 86 1HD PHE 86 3.566 9.575 -1.815 633 HD2 PHE 86 2HD PHE 86 3.026 5.822 -3.751 634 HE1 PHE 86 1HE PHE 86 4.500 10.514 -3.889 635 HE2 PHE 86 2HE PHE 86 3.960 6.755 -5.827 636 HZ PHE 86 HZ PHE 86 4.700 9.103 -5.898 637 H ILE 87 H ILE 87 0.140 5.657 -0.379 638 HA ILE 87 HA ILE 87 -1.307 5.376 -2.799 639 HB ILE 87 HB ILE 87 -1.907 4.109 -0.124 640 HG12 ILE 87 1HG1 ILE 87 -0.330 2.897 -2.392 641 HG13 ILE 87 2HG1 ILE 87 0.443 3.791 -1.088 642 HG21 ILE 87 1HG2 ILE 87 -3.520 4.119 -2.270 643 HG22 ILE 87 2HG2 ILE 87 -2.509 2.730 -2.662 644 HG23 ILE 87 3HG2 ILE 87 -3.409 2.765 -1.146 645 HD11 ILE 87 1HD1 ILE 87 0.361 2.034 0.255 646 HD12 ILE 87 2HD1 ILE 87 -1.359 1.796 -0.054 647 HD13 ILE 87 3HD1 ILE 87 -0.162 1.088 -1.138 648 H LYS 88 H LYS 88 -2.092 6.752 0.346 649 HA LYS 88 HA LYS 88 -4.845 7.054 0.045 650 HB2 LYS 88 1HB LYS 88 -2.802 8.676 1.555 651 HB3 LYS 88 2HB LYS 88 -4.522 9.038 1.624 652 HG2 LYS 88 1HG LYS 88 -4.787 6.569 2.313 653 HG3 LYS 88 2HG LYS 88 -3.057 6.643 2.655 654 HD2 LYS 88 1HD LYS 88 -4.923 8.715 3.753 655 HD3 LYS 88 2HD LYS 88 -4.739 7.154 4.557 656 HE2 LYS 88 1HE LYS 88 -2.249 7.588 4.545 657 HE3 LYS 88 2HE LYS 88 -2.625 9.233 4.037 658 HZ1 LYS 88 1HZ LYS 88 -2.974 7.967 6.628 659 HZ2 LYS 88 2HZ LYS 88 -4.223 8.999 6.143 660 HZ3 LYS 88 3HZ LYS 88 -2.638 9.581 6.247 661 H ALA 89 H ALA 89 -2.205 9.215 -0.919 662 HA ALA 89 HA ALA 89 -3.437 11.469 -1.715 663 HB1 ALA 89 1HB ALA 89 -1.631 10.335 -3.765 664 HB2 ALA 89 2HB ALA 89 -1.607 11.912 -2.976 665 HB3 ALA 89 3HB ALA 89 -0.985 10.494 -2.132 666 H SER 90 H SER 90 -3.363 8.462 -3.607 667 HA SER 90 HA SER 90 -4.506 9.071 -5.939 668 HB2 SER 90 1HB SER 90 -4.984 6.767 -4.091 669 HB3 SER 90 2HB SER 90 -5.968 6.905 -5.548 670 HG SER 90 HG SER 90 -3.884 7.119 -6.677 671 H CYS 91 H CYS 91 -6.294 8.825 -2.889 672 HA CYS 91 HA CYS 91 -8.875 9.107 -3.682 673 HB2 CYS 91 1HB CYS 91 -8.022 8.970 -1.314 674 HB3 CYS 91 2HB CYS 91 -7.688 10.695 -1.403 675 HG CYS 91 HG CYS 91 -10.359 11.428 -1.764 676 H GLU 92 H GLU 92 -6.651 11.831 -3.092 677 HA GLU 92 HA GLU 92 -8.488 13.580 -4.565 678 HB2 GLU 92 1HB GLU 92 -7.831 14.376 -2.360 679 HB3 GLU 92 2HB GLU 92 -6.132 14.235 -2.788 680 HG2 GLU 92 1HG GLU 92 -6.441 15.955 -4.513 681 HG3 GLU 92 2HG GLU 92 -8.126 16.120 -4.024 682 H ARG 93 H ARG 93 -7.845 12.602 -6.606 683 HA ARG 93 HA ARG 93 -5.698 14.078 -7.829 684 HB2 ARG 93 1HB ARG 93 -4.771 11.865 -6.758 685 HB3 ARG 93 2HB ARG 93 -5.498 11.113 -8.172 686 HG2 ARG 93 1HG ARG 93 -3.285 11.491 -8.787 687 HG3 ARG 93 2HG ARG 93 -4.176 12.816 -9.539 688 HD2 ARG 93 1HD ARG 93 -3.318 14.387 -8.104 689 HD3 ARG 93 2HD ARG 93 -3.056 13.218 -6.811 690 HE ARG 93 HE ARG 93 -1.200 13.972 -8.840 691 HH11 ARG 93 2HH1 ARG 93 -2.214 11.331 -6.811 692 HH12 ARG 93 1HH1 ARG 93 -0.668 10.551 -6.830 693 HH21 ARG 93 2HH2 ARG 93 0.842 12.954 -8.872 694 HH22 ARG 93 1HH2 ARG 93 1.070 11.475 -8.002 695 H HIS 94 H HIS 94 -6.168 14.512 -9.903 696 HA HIS 94 HA HIS 94 -8.579 14.233 -11.060 697 HB2 HIS 94 1HB HIS 94 -7.436 14.400 -13.286 698 HB3 HIS 94 2HB HIS 94 -6.895 15.591 -12.106 699 HD1 HIS 94 1HD HIS 94 -4.528 15.072 -10.960 700 HD2 HIS 94 2HD HIS 94 -5.459 12.824 -14.328 701 HE1 HIS 94 1HE HIS 94 -2.349 14.079 -11.729 702 HE2 HIS 94 2HE HIS 94 -2.924 12.793 -13.817 703 H SER 95 H SER 95 -5.887 11.986 -11.724 704 HA SER 95 HA SER 95 -7.149 10.179 -13.335 705 HB2 SER 95 1HB SER 95 -4.712 10.225 -12.356 706 HB3 SER 95 2HB SER 95 -5.386 9.132 -11.148 707 HG SER 95 HG SER 95 -4.854 8.708 -13.824 708 H GLY 96 H GLY 96 -6.746 9.543 -9.847 709 HA2 GLY 96 1HA GLY 96 -8.481 8.954 -8.348 710 HA3 GLY 96 2HA GLY 96 -9.525 8.629 -9.723 711 H GLU 97 H GLU 97 -9.248 6.656 -10.891 712 HA GLU 97 HA GLU 97 -9.097 4.375 -9.423 713 HB2 GLU 97 1HB GLU 97 -9.925 4.289 -11.665 714 HB3 GLU 97 2HB GLU 97 -8.377 4.800 -12.322 715 HG2 GLU 97 1HG GLU 97 -8.287 2.569 -12.758 716 HG3 GLU 97 2HG GLU 97 -7.521 2.605 -11.171 717 H LEU 98 H LEU 98 -7.552 3.515 -8.218 718 HA LEU 98 HA LEU 98 -4.761 4.163 -8.755 719 HB2 LEU 98 1HB LEU 98 -5.056 4.423 -6.517 720 HB3 LEU 98 2HB LEU 98 -6.314 3.192 -6.430 721 HG LEU 98 HG LEU 98 -3.492 2.342 -6.895 722 HD11 LEU 98 1HD1 LEU 98 -4.040 4.023 -4.806 723 HD12 LEU 98 2HD1 LEU 98 -2.737 2.835 -4.852 724 HD13 LEU 98 3HD1 LEU 98 -4.273 2.430 -4.085 725 HD21 LEU 98 1HD2 LEU 98 -5.150 0.635 -7.012 726 HD22 LEU 98 2HD2 LEU 98 -5.904 1.181 -5.514 727 HD23 LEU 98 3HD2 LEU 98 -4.302 0.443 -5.477 728 H MET 99 H MET 99 -3.121 2.539 -8.847 729 HA MET 99 HA MET 99 -4.051 -0.172 -9.467 730 HB2 MET 99 1HB MET 99 -2.283 1.549 -11.204 731 HB3 MET 99 2HB MET 99 -2.375 -0.199 -11.372 732 HG2 MET 99 1HG MET 99 -4.521 -0.147 -12.189 733 HG3 MET 99 2HG MET 99 -4.880 1.408 -11.443 734 HE1 MET 99 1HE MET 99 -4.847 1.314 -15.600 735 HE2 MET 99 2HE MET 99 -4.510 -0.206 -14.772 736 HE3 MET 99 3HE MET 99 -5.847 0.812 -14.237 737 H LEU 100 H LEU 100 -2.665 -1.800 -8.883 738 HA LEU 100 HA LEU 100 -0.125 -0.986 -7.632 739 HB2 LEU 100 1HB LEU 100 -1.708 -3.323 -6.645 740 HB3 LEU 100 2HB LEU 100 -0.465 -2.391 -5.814 741 HG LEU 100 HG LEU 100 -3.058 -1.079 -6.500 742 HD11 LEU 100 1HD1 LEU 100 -2.681 -2.693 -3.993 743 HD12 LEU 100 2HD1 LEU 100 -3.515 -3.317 -5.415 744 HD13 LEU 100 3HD1 LEU 100 -4.144 -1.900 -4.575 745 HD21 LEU 100 1HD2 LEU 100 -1.033 -0.804 -4.284 746 HD22 LEU 100 2HD2 LEU 100 -2.550 0.093 -4.364 747 HD23 LEU 100 3HD2 LEU 100 -1.323 0.319 -5.612 748 H LEU 101 H LEU 101 1.502 -1.777 -8.780 749 HA LEU 101 HA LEU 101 1.161 -4.127 -10.436 750 HB2 LEU 101 1HB LEU 101 2.449 -1.996 -11.040 751 HB3 LEU 101 2HB LEU 101 3.725 -2.628 -10.001 752 HG LEU 101 HG LEU 101 3.909 -4.605 -11.448 753 HD11 LEU 101 1HD1 LEU 101 1.599 -3.303 -12.800 754 HD12 LEU 101 2HD1 LEU 101 1.893 -5.007 -12.454 755 HD13 LEU 101 3HD1 LEU 101 2.755 -4.214 -13.773 756 HD21 LEU 101 1HD2 LEU 101 5.448 -3.475 -12.577 757 HD22 LEU 101 2HD2 LEU 101 4.714 -1.973 -12.015 758 HD23 LEU 101 3HD2 LEU 101 4.209 -2.682 -13.550 759 H VAL 102 H VAL 102 1.108 -5.971 -9.269 760 HA VAL 102 HA VAL 102 3.227 -6.423 -7.280 761 HB VAL 102 HB VAL 102 1.871 -8.145 -6.325 762 HG11 VAL 102 1HG1 VAL 102 1.194 -5.511 -6.283 763 HG12 VAL 102 2HG1 VAL 102 -0.329 -6.259 -6.767 764 HG13 VAL 102 3HG1 VAL 102 0.461 -6.754 -5.270 765 HG21 VAL 102 1HG2 VAL 102 0.344 -9.321 -7.443 766 HG22 VAL 102 2HG2 VAL 102 -0.518 -7.865 -7.941 767 HG23 VAL 102 3HG2 VAL 102 0.852 -8.445 -8.887 768 H ARG 103 H ARG 103 3.945 -8.771 -7.136 769 HA ARG 103 HA ARG 103 4.503 -9.735 -9.859 770 HB2 ARG 103 1HB ARG 103 6.430 -9.013 -8.390 771 HB3 ARG 103 2HB ARG 103 6.052 -10.380 -7.351 772 HG2 ARG 103 1HG ARG 103 6.379 -11.871 -9.328 773 HG3 ARG 103 2HG ARG 103 6.955 -10.460 -10.218 774 HD2 ARG 103 1HD ARG 103 8.539 -10.205 -8.133 775 HD3 ARG 103 2HD ARG 103 8.215 -11.929 -7.952 776 HE ARG 103 HE ARG 103 9.623 -12.304 -9.700 777 HH11 ARG 103 2HH1 ARG 103 8.475 -9.024 -9.898 778 HH12 ARG 103 1HH1 ARG 103 9.469 -8.620 -11.258 779 HH21 ARG 103 2HH2 ARG 103 10.937 -11.785 -11.491 780 HH22 ARG 103 1HH2 ARG 103 10.869 -10.191 -12.163 781 HA PRO 104 HA PRO 104 2.065 -13.316 -9.005 782 HB2 PRO 104 1HB PRO 104 2.992 -14.885 -11.017 783 HB3 PRO 104 2HB PRO 104 1.882 -13.536 -11.284 784 HG2 PRO 104 1HG PRO 104 4.851 -13.645 -11.645 785 HG3 PRO 104 2HG PRO 104 3.623 -12.913 -12.694 786 HD2 PRO 104 1HD PRO 104 5.135 -11.456 -10.984 787 HD3 PRO 104 2HD PRO 104 3.465 -11.015 -11.396 788 H ASN 105 H ASN 105 2.266 -15.186 -7.866 789 HA ASN 105 HA ASN 105 4.988 -16.225 -7.432 790 HB2 ASN 105 1HB ASN 105 4.167 -14.959 -5.465 791 HB3 ASN 105 2HB ASN 105 2.785 -16.046 -5.366 792 HD21 ASN 105 1HD2 ASN 105 3.028 -17.374 -3.731 793 HD22 ASN 105 2HD2 ASN 105 4.488 -18.180 -3.278 794 H ALA 106 H ALA 106 3.137 -17.162 -9.377 795 HA ALA 106 HA ALA 106 2.206 -19.710 -8.251 796 HB1 ALA 106 1HB ALA 106 1.549 -18.416 -10.895 797 HB2 ALA 106 2HB ALA 106 0.878 -19.933 -10.294 798 HB3 ALA 106 3HB ALA 106 0.528 -18.420 -9.457 799 H VAL 107 H VAL 107 2.392 -21.604 -9.822 800 HA VAL 107 HA VAL 107 4.932 -21.527 -11.299 801 HB VAL 107 HB VAL 107 4.118 -23.658 -9.319 802 HG11 VAL 107 1HG1 VAL 107 6.155 -24.820 -9.930 803 HG12 VAL 107 2HG1 VAL 107 5.130 -24.615 -11.351 804 HG13 VAL 107 3HG1 VAL 107 6.536 -23.576 -11.120 805 HG21 VAL 107 1HG2 VAL 107 5.095 -22.073 -7.996 806 HG22 VAL 107 2HG2 VAL 107 6.535 -22.951 -8.512 807 HG23 VAL 107 3HG2 VAL 107 6.095 -21.437 -9.302 808 H TYR 108 H TYR 108 4.902 -22.551 -13.216 809 HA TYR 108 HA TYR 108 2.387 -23.615 -14.151 810 HB2 TYR 108 1HB TYR 108 5.012 -23.468 -15.640 811 HB3 TYR 108 2HB TYR 108 3.404 -23.645 -16.333 812 HD1 TYR 108 1HD TYR 108 1.733 -21.670 -15.478 813 HD2 TYR 108 2HD TYR 108 5.961 -21.385 -15.851 814 HE1 TYR 108 1HE TYR 108 1.544 -19.226 -15.677 815 HE2 TYR 108 2HE TYR 108 5.785 -18.940 -16.049 816 HH TYR 108 HH TYR 108 3.923 -17.154 -15.204 817 H ASP 109 H ASP 109 1.823 -25.679 -14.102 818 HA ASP 109 HA ASP 109 3.836 -27.761 -14.406 819 HB2 ASP 109 1HB ASP 109 2.874 -29.015 -12.439 820 HB3 ASP 109 2HB ASP 109 3.808 -27.580 -12.023 821 H VAL 110 H VAL 110 3.004 -29.749 -15.121 822 HA VAL 110 HA VAL 110 1.113 -29.852 -16.995 823 HB VAL 110 HB VAL 110 2.376 -31.822 -16.582 824 HG11 VAL 110 1HG1 VAL 110 2.890 -32.285 -14.461 825 HG12 VAL 110 2HG1 VAL 110 1.477 -31.424 -13.848 826 HG13 VAL 110 3HG1 VAL 110 1.330 -33.103 -14.371 827 HG21 VAL 110 1HG2 VAL 110 -0.504 -32.452 -15.943 828 HG22 VAL 110 2HG2 VAL 110 0.138 -32.156 -17.559 829 HG23 VAL 110 3HG2 VAL 110 0.683 -33.557 -16.636 830 H VAL 111 H VAL 111 -1.099 -30.335 -17.187 831 HA VAL 111 HA VAL 111 -2.677 -29.768 -14.762 832 HB VAL 111 HB VAL 111 -3.364 -29.137 -17.636 833 HG11 VAL 111 1HG1 VAL 111 -5.025 -27.918 -15.600 834 HG12 VAL 111 2HG1 VAL 111 -5.488 -28.824 -17.043 835 HG13 VAL 111 3HG1 VAL 111 -5.105 -29.679 -15.548 836 HG21 VAL 111 1HG2 VAL 111 -2.717 -27.002 -17.282 837 HG22 VAL 111 2HG2 VAL 111 -3.216 -27.017 -15.590 838 HG23 VAL 111 3HG2 VAL 111 -1.680 -27.743 -16.063 839 H GLU 112 H GLU 112 -2.793 -32.000 -14.232 840 HA GLU 112 HA GLU 112 -4.442 -33.611 -16.064 841 HB2 GLU 112 1HB GLU 112 -2.230 -34.571 -15.577 842 HB3 GLU 112 2HB GLU 112 -2.594 -34.537 -13.858 843 HG2 GLU 112 1HG GLU 112 -4.551 -36.044 -14.368 844 HG3 GLU 112 2HG GLU 112 -3.872 -36.228 -15.984 845 H GLU 113 H GLU 113 -6.502 -33.752 -15.500 846 HA GLU 113 HA GLU 113 -7.301 -34.489 -12.861 847 HB2 GLU 113 1HB GLU 113 -6.887 -31.911 -12.854 848 HB3 GLU 113 2HB GLU 113 -8.411 -31.842 -13.727 849 HG2 GLU 113 1HG GLU 113 -9.546 -32.947 -11.897 850 HG3 GLU 113 2HG GLU 113 -8.022 -33.114 -11.028 851 H SER 114 H SER 114 -8.669 -36.042 -13.455 852 HA SER 114 HA SER 114 -10.330 -35.773 -15.805 853 HB2 SER 114 1HB SER 114 -10.915 -38.059 -15.470 854 HB3 SER 114 2HB SER 114 -9.203 -37.930 -15.064 855 HG SER 114 HG SER 114 -9.728 -37.983 -12.902 856 H GLY 115 H GLY 115 -12.582 -35.725 -15.853 857 HA2 GLY 115 1HA GLY 115 -14.216 -35.808 -13.538 858 HA3 GLY 115 2HA GLY 115 -13.870 -34.139 -13.966 859 HA PRO 116 HA PRO 116 -17.500 -35.944 -16.433 860 HB2 PRO 116 1HB PRO 116 -19.491 -34.545 -15.228 861 HB3 PRO 116 2HB PRO 116 -18.964 -36.139 -14.673 862 HG2 PRO 116 1HG PRO 116 -18.252 -33.432 -13.611 863 HG3 PRO 116 2HG PRO 116 -18.664 -34.910 -12.722 864 HD2 PRO 116 1HD PRO 116 -16.110 -34.077 -13.059 865 HD3 PRO 116 2HD PRO 116 -16.550 -35.795 -12.962 866 H SER 117 H SER 117 -17.136 -34.892 -18.309 867 HA SER 117 HA SER 117 -17.273 -31.966 -18.358 868 HB2 SER 117 1HB SER 117 -16.102 -32.038 -20.411 869 HB3 SER 117 2HB SER 117 -15.347 -33.288 -19.422 870 HG SER 117 HG SER 117 -16.749 -33.516 -21.756 871 H SER 118 H SER 118 -18.446 -30.924 -20.130 872 HA SER 118 HA SER 118 -20.837 -32.458 -20.918 873 HB2 SER 118 1HB SER 118 -21.889 -30.052 -20.948 874 HB3 SER 118 2HB SER 118 -21.728 -30.922 -19.422 875 HG SER 118 HG SER 118 -19.842 -29.048 -20.415 876 H GLY 119 H GLY 119 -20.416 -32.974 -22.996 877 HA2 GLY 119 1HA GLY 119 -20.867 -31.992 -25.234 878 HA3 GLY 119 2HA GLY 119 -19.703 -30.746 -24.805 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.698 -18.075 -33.947 2 HA2 GLY 1 1HA GLY 1 0.254 -16.636 -31.861 3 HA3 GLY 1 2HA GLY 1 2.008 -16.542 -31.800 4 H SER 2 H SER 2 -0.583 -16.110 -34.215 5 HA SER 2 HA SER 2 0.852 -13.717 -35.162 6 HB2 SER 2 1HB SER 2 -0.796 -15.775 -36.596 7 HB3 SER 2 2HB SER 2 -0.652 -14.147 -37.260 8 HG SER 2 HG SER 2 1.747 -14.625 -36.824 9 H SER 3 H SER 3 -0.239 -11.806 -35.419 10 HA SER 3 HA SER 3 -3.107 -11.698 -34.967 11 HB2 SER 3 1HB SER 3 -2.908 -10.049 -33.139 12 HB3 SER 3 2HB SER 3 -2.213 -11.606 -32.688 13 HG SER 3 HG SER 3 -0.607 -10.316 -32.146 14 H GLY 4 H GLY 4 -3.794 -9.259 -34.976 15 HA2 GLY 4 1HA GLY 4 -2.390 -8.042 -37.261 16 HA3 GLY 4 2HA GLY 4 -4.080 -7.782 -36.853 17 H SER 5 H SER 5 -0.877 -6.677 -36.475 18 HA SER 5 HA SER 5 -1.718 -4.744 -34.422 19 HB2 SER 5 1HB SER 5 0.320 -6.283 -34.053 20 HB3 SER 5 2HB SER 5 1.138 -5.255 -35.229 21 HG SER 5 HG SER 5 -0.091 -4.365 -32.829 22 H SER 6 H SER 6 -1.406 -2.553 -34.730 23 HA SER 6 HA SER 6 -1.341 -1.701 -37.489 24 HB2 SER 6 1HB SER 6 -2.963 -0.599 -36.146 25 HB3 SER 6 2HB SER 6 -1.787 -0.251 -34.879 26 HG SER 6 HG SER 6 -1.667 0.808 -37.509 27 H GLY 7 H GLY 7 0.388 -0.991 -38.550 28 HA2 GLY 7 1HA GLY 7 2.577 -0.424 -38.972 29 HA3 GLY 7 2HA GLY 7 2.340 0.733 -37.671 30 H ASN 8 H ASN 8 4.709 0.280 -37.449 31 HA ASN 8 HA ASN 8 5.492 -2.257 -36.356 32 HB2 ASN 8 1HB ASN 8 6.919 0.390 -36.633 33 HB3 ASN 8 2HB ASN 8 7.665 -1.026 -35.898 34 HD21 ASN 8 1HD2 ASN 8 8.524 0.371 -38.239 35 HD22 ASN 8 2HD2 ASN 8 8.465 -0.751 -39.552 36 H GLY 9 H GLY 9 5.866 -2.805 -34.249 37 HA2 GLY 9 1HA GLY 9 6.361 -1.958 -31.961 38 HA3 GLY 9 2HA GLY 9 5.067 -0.800 -32.230 39 H GLY 10 H GLY 10 5.673 -4.309 -32.172 40 HA2 GLY 10 1HA GLY 10 2.963 -5.046 -31.852 41 HA3 GLY 10 2HA GLY 10 4.353 -6.054 -31.474 42 H ILE 11 H ILE 11 2.204 -6.319 -29.897 43 HA ILE 11 HA ILE 11 2.395 -4.580 -27.596 44 HB ILE 11 HB ILE 11 0.783 -7.100 -28.014 45 HG12 ILE 11 1HG1 ILE 11 -0.265 -4.281 -27.909 46 HG13 ILE 11 2HG1 ILE 11 0.310 -4.981 -29.418 47 HG21 ILE 11 1HG2 ILE 11 -0.280 -6.728 -25.983 48 HG22 ILE 11 2HG2 ILE 11 1.408 -6.376 -25.619 49 HG23 ILE 11 3HG2 ILE 11 0.270 -5.056 -25.888 50 HD11 ILE 11 1HD1 ILE 11 -1.448 -6.417 -29.578 51 HD12 ILE 11 2HD1 ILE 11 -1.685 -6.501 -27.832 52 HD13 ILE 11 3HD1 ILE 11 -2.220 -5.080 -28.728 53 HA PRO 12 HA PRO 12 5.464 -6.920 -25.457 54 HB2 PRO 12 1HB PRO 12 4.995 -5.977 -22.955 55 HB3 PRO 12 2HB PRO 12 5.807 -5.025 -24.204 56 HG2 PRO 12 1HG PRO 12 2.950 -4.939 -23.314 57 HG3 PRO 12 2HG PRO 12 4.047 -3.596 -23.685 58 HD2 PRO 12 1HD PRO 12 2.175 -4.474 -25.434 59 HD3 PRO 12 2HD PRO 12 3.732 -3.802 -25.959 60 H HIS 13 H HIS 13 5.664 -8.714 -24.117 61 HA HIS 13 HA HIS 13 3.239 -10.230 -23.724 62 HB2 HIS 13 1HB HIS 13 5.286 -11.309 -24.577 63 HB3 HIS 13 2HB HIS 13 6.106 -10.938 -23.063 64 HD1 HIS 13 1HD HIS 13 5.285 -12.257 -20.932 65 HD2 HIS 13 2HD HIS 13 3.697 -13.564 -24.542 66 HE1 HIS 13 1HE HIS 13 4.292 -14.517 -20.451 67 HE2 HIS 13 2HE HIS 13 3.413 -15.325 -22.669 68 H ASP 14 H ASP 14 2.117 -9.182 -22.087 69 HA ASP 14 HA ASP 14 2.893 -8.096 -19.757 70 HB2 ASP 14 1HB ASP 14 0.611 -10.073 -19.891 71 HB3 ASP 14 2HB ASP 14 0.773 -8.702 -18.796 72 H ASN 15 H ASN 15 4.505 -8.773 -18.488 73 HA ASN 15 HA ASN 15 4.673 -11.613 -17.782 74 HB2 ASN 15 1HB ASN 15 6.627 -9.353 -17.837 75 HB3 ASN 15 2HB ASN 15 6.908 -10.677 -16.711 76 HD21 ASN 15 1HD2 ASN 15 7.439 -9.571 -19.787 77 HD22 ASN 15 2HD2 ASN 15 7.890 -11.058 -20.541 78 H LEU 16 H LEU 16 4.654 -8.394 -16.283 79 HA LEU 16 HA LEU 16 4.338 -9.560 -13.640 80 HB2 LEU 16 1HB LEU 16 4.730 -6.788 -14.694 81 HB3 LEU 16 2HB LEU 16 4.157 -7.038 -13.047 82 HG LEU 16 HG LEU 16 6.740 -8.165 -14.118 83 HD11 LEU 16 1HD1 LEU 16 7.204 -6.151 -12.205 84 HD12 LEU 16 2HD1 LEU 16 6.096 -5.478 -13.400 85 HD13 LEU 16 3HD1 LEU 16 7.643 -6.153 -13.913 86 HD21 LEU 16 1HD2 LEU 16 7.088 -9.049 -12.077 87 HD22 LEU 16 2HD2 LEU 16 5.329 -8.984 -11.968 88 HD23 LEU 16 3HD2 LEU 16 6.305 -7.706 -11.243 89 H VAL 17 H VAL 17 2.592 -8.858 -12.212 90 HA VAL 17 HA VAL 17 0.055 -8.758 -13.666 91 HB VAL 17 HB VAL 17 0.760 -9.504 -10.838 92 HG11 VAL 17 1HG1 VAL 17 -1.196 -8.301 -10.458 93 HG12 VAL 17 2HG1 VAL 17 -1.916 -8.801 -11.990 94 HG13 VAL 17 3HG1 VAL 17 -1.769 -9.956 -10.664 95 HG21 VAL 17 1HG2 VAL 17 0.614 -10.985 -13.136 96 HG22 VAL 17 2HG2 VAL 17 0.466 -11.624 -11.499 97 HG23 VAL 17 3HG2 VAL 17 -0.982 -11.230 -12.427 98 H LEU 18 H LEU 18 -1.567 -7.253 -13.188 99 HA LEU 18 HA LEU 18 -0.679 -4.885 -11.677 100 HB2 LEU 18 1HB LEU 18 -0.588 -4.203 -13.913 101 HB3 LEU 18 2HB LEU 18 -2.059 -5.078 -14.331 102 HG LEU 18 HG LEU 18 -3.190 -3.355 -12.718 103 HD11 LEU 18 1HD1 LEU 18 -1.933 -1.114 -13.137 104 HD12 LEU 18 2HD1 LEU 18 -0.517 -2.154 -13.280 105 HD13 LEU 18 3HD1 LEU 18 -1.461 -2.151 -11.791 106 HD21 LEU 18 1HD2 LEU 18 -3.799 -2.071 -14.576 107 HD22 LEU 18 2HD2 LEU 18 -3.390 -3.648 -15.251 108 HD23 LEU 18 3HD2 LEU 18 -2.242 -2.313 -15.368 109 H ILE 19 H ILE 19 -2.170 -3.885 -10.375 110 HA ILE 19 HA ILE 19 -4.683 -5.355 -9.972 111 HB ILE 19 HB ILE 19 -3.153 -3.550 -8.097 112 HG12 ILE 19 1HG1 ILE 19 -2.406 -5.981 -8.584 113 HG13 ILE 19 2HG1 ILE 19 -2.565 -5.476 -6.905 114 HG21 ILE 19 1HG2 ILE 19 -5.907 -4.662 -7.974 115 HG22 ILE 19 2HG2 ILE 19 -4.966 -4.588 -6.486 116 HG23 ILE 19 3HG2 ILE 19 -5.285 -3.115 -7.400 117 HD11 ILE 19 1HD1 ILE 19 -4.285 -6.873 -6.513 118 HD12 ILE 19 2HD1 ILE 19 -4.959 -6.676 -8.132 119 HD13 ILE 19 3HD1 ILE 19 -3.584 -7.749 -7.873 120 H ARG 20 H ARG 20 -6.616 -4.383 -10.198 121 HA ARG 20 HA ARG 20 -6.689 -1.465 -10.531 122 HB2 ARG 20 1HB ARG 20 -7.754 -3.562 -12.400 123 HB3 ARG 20 2HB ARG 20 -8.493 -1.968 -12.327 124 HG2 ARG 20 1HG ARG 20 -6.019 -1.155 -12.649 125 HG3 ARG 20 2HG ARG 20 -5.810 -2.773 -13.323 126 HD2 ARG 20 1HD ARG 20 -7.827 -0.715 -14.217 127 HD3 ARG 20 2HD ARG 20 -6.349 -1.159 -15.069 128 HE ARG 20 HE ARG 20 -8.832 -2.601 -15.039 129 HH11 ARG 20 2HH1 ARG 20 -5.388 -2.851 -15.479 130 HH12 ARG 20 1HH1 ARG 20 -5.484 -4.279 -16.455 131 HH21 ARG 20 2HH2 ARG 20 -8.972 -4.481 -16.323 132 HH22 ARG 20 1HH2 ARG 20 -7.524 -5.205 -16.935 133 H MET 21 H MET 21 -8.194 -0.530 -9.313 134 HA MET 21 HA MET 21 -10.710 -1.842 -8.760 135 HB2 MET 21 1HB MET 21 -10.522 -1.836 -6.366 136 HB3 MET 21 2HB MET 21 -9.154 -2.728 -7.019 137 HG2 MET 21 1HG MET 21 -8.818 0.169 -6.453 138 HG3 MET 21 2HG MET 21 -8.860 -0.959 -5.100 139 HE1 MET 21 1HE MET 21 -6.917 -2.116 -4.223 140 HE2 MET 21 2HE MET 21 -7.268 -3.378 -5.404 141 HE3 MET 21 3HE MET 21 -5.613 -2.807 -5.189 142 H LYS 22 H LYS 22 -12.021 -0.374 -7.177 143 HA LYS 22 HA LYS 22 -11.456 2.444 -7.825 144 HB2 LYS 22 1HB LYS 22 -13.768 2.854 -8.248 145 HB3 LYS 22 2HB LYS 22 -13.315 1.442 -9.193 146 HG2 LYS 22 1HG LYS 22 -15.270 0.686 -8.334 147 HG3 LYS 22 2HG LYS 22 -14.188 0.179 -7.035 148 HD2 LYS 22 1HD LYS 22 -15.955 1.228 -5.922 149 HD3 LYS 22 2HD LYS 22 -14.699 2.466 -5.985 150 HE2 LYS 22 1HE LYS 22 -16.684 2.340 -8.199 151 HE3 LYS 22 2HE LYS 22 -17.201 2.995 -6.646 152 HZ1 LYS 22 1HZ LYS 22 -15.549 4.179 -8.650 153 HZ2 LYS 22 2HZ LYS 22 -14.799 4.202 -7.134 154 HZ3 LYS 22 3HZ LYS 22 -16.326 4.902 -7.332 155 HA PRO 23 HA PRO 23 -11.866 3.270 -3.528 156 HB2 PRO 23 1HB PRO 23 -12.685 5.857 -3.615 157 HB3 PRO 23 2HB PRO 23 -11.030 5.360 -3.989 158 HG2 PRO 23 1HG PRO 23 -13.285 5.994 -5.853 159 HG3 PRO 23 2HG PRO 23 -11.578 6.462 -5.962 160 HD2 PRO 23 1HD PRO 23 -12.620 4.412 -7.391 161 HD3 PRO 23 2HD PRO 23 -10.941 4.417 -6.814 162 H ASP 24 H ASP 24 -13.398 2.773 -2.095 163 HA ASP 24 HA ASP 24 -16.038 2.244 -2.715 164 HB2 ASP 24 1HB ASP 24 -14.603 2.777 -0.140 165 HB3 ASP 24 2HB ASP 24 -16.356 2.605 -0.135 166 H GLU 25 H GLU 25 -17.833 3.398 -1.179 167 HA GLU 25 HA GLU 25 -18.515 5.760 -2.465 168 HB2 GLU 25 1HB GLU 25 -19.424 4.438 0.058 169 HB3 GLU 25 2HB GLU 25 -19.986 6.065 -0.299 170 HG2 GLU 25 1HG GLU 25 -21.658 4.867 -1.255 171 HG3 GLU 25 2HG GLU 25 -20.563 4.988 -2.631 172 H ASN 26 H ASN 26 -17.396 5.450 0.911 173 HA ASN 26 HA ASN 26 -17.020 8.235 1.264 174 HB2 ASN 26 1HB ASN 26 -16.063 5.820 2.794 175 HB3 ASN 26 2HB ASN 26 -15.643 7.460 3.281 176 HD21 ASN 26 1HD2 ASN 26 -17.099 8.667 4.352 177 HD22 ASN 26 2HD2 ASN 26 -18.690 8.137 4.767 178 H GLY 27 H GLY 27 -15.147 5.827 -0.272 179 HA2 GLY 27 1HA GLY 27 -13.288 6.297 -1.644 180 HA3 GLY 27 2HA GLY 27 -13.030 7.785 -0.745 181 H ARG 28 H ARG 28 -13.336 4.415 0.349 182 HA ARG 28 HA ARG 28 -10.578 4.569 1.357 183 HB2 ARG 28 1HB ARG 28 -11.294 3.404 3.414 184 HB3 ARG 28 2HB ARG 28 -12.039 4.988 3.247 185 HG2 ARG 28 1HG ARG 28 -14.101 3.954 2.473 186 HG3 ARG 28 2HG ARG 28 -13.355 2.359 2.594 187 HD2 ARG 28 1HD ARG 28 -14.460 2.448 4.598 188 HD3 ARG 28 2HD ARG 28 -12.899 3.120 5.068 189 HE ARG 28 HE ARG 28 -14.329 5.308 4.374 190 HH11 ARG 28 2HH1 ARG 28 -14.937 2.634 6.518 191 HH12 ARG 28 1HH1 ARG 28 -15.925 3.558 7.601 192 HH21 ARG 28 2HH2 ARG 28 -15.629 6.534 5.791 193 HH22 ARG 28 1HH2 ARG 28 -16.319 5.776 7.185 194 H PHE 29 H PHE 29 -9.454 2.607 1.463 195 HA PHE 29 HA PHE 29 -10.595 0.502 -0.228 196 HB2 PHE 29 1HB PHE 29 -7.722 0.945 0.611 197 HB3 PHE 29 2HB PHE 29 -8.291 -0.258 -0.542 198 HD1 PHE 29 1HD PHE 29 -9.612 0.686 -2.587 199 HD2 PHE 29 2HD PHE 29 -6.966 2.975 -0.164 200 HE1 PHE 29 1HE PHE 29 -9.350 2.312 -4.415 201 HE2 PHE 29 2HE PHE 29 -6.700 4.605 -1.987 202 HZ PHE 29 HZ PHE 29 -7.893 4.275 -4.116 203 H GLY 30 H GLY 30 -9.375 -1.730 0.400 204 HA2 GLY 30 1HA GLY 30 -9.669 -2.113 3.306 205 HA3 GLY 30 2HA GLY 30 -10.548 -3.149 2.192 206 H PHE 31 H PHE 31 -7.202 -1.926 2.244 207 HA PHE 31 HA PHE 31 -6.211 -4.645 2.566 208 HB2 PHE 31 1HB PHE 31 -4.931 -4.703 0.586 209 HB3 PHE 31 2HB PHE 31 -6.512 -4.120 0.078 210 HD1 PHE 31 1HD PHE 31 -3.072 -3.046 0.908 211 HD2 PHE 31 2HD PHE 31 -6.754 -2.039 -0.975 212 HE1 PHE 31 1HE PHE 31 -2.011 -1.069 -0.102 213 HE2 PHE 31 2HE PHE 31 -5.699 -0.061 -1.988 214 HZ PHE 31 HZ PHE 31 -3.325 0.426 -1.553 215 H ASN 32 H ASN 32 -4.523 -4.670 3.900 216 HA ASN 32 HA ASN 32 -3.223 -2.125 4.542 217 HB2 ASN 32 1HB ASN 32 -3.695 -4.670 6.019 218 HB3 ASN 32 2HB ASN 32 -2.256 -3.742 6.429 219 HD21 ASN 32 1HD2 ASN 32 -4.883 -4.329 7.804 220 HD22 ASN 32 2HD2 ASN 32 -5.439 -2.778 8.325 221 H VAL 33 H VAL 33 -0.882 -2.145 4.965 222 HA VAL 33 HA VAL 33 0.577 -4.159 3.398 223 HB VAL 33 HB VAL 33 1.960 -2.491 2.350 224 HG11 VAL 33 1HG1 VAL 33 -0.916 -2.586 1.970 225 HG12 VAL 33 2HG1 VAL 33 -0.217 -1.064 1.414 226 HG13 VAL 33 3HG1 VAL 33 0.382 -2.597 0.777 227 HG21 VAL 33 1HG2 VAL 33 1.539 -0.091 2.624 228 HG22 VAL 33 2HG2 VAL 33 0.310 -0.447 3.837 229 HG23 VAL 33 3HG2 VAL 33 1.998 -0.848 4.150 230 H LYS 34 H LYS 34 2.908 -4.189 3.864 231 HA LYS 34 HA LYS 34 3.771 -2.925 6.328 232 HB2 LYS 34 1HB LYS 34 4.429 -5.067 7.372 233 HB3 LYS 34 2HB LYS 34 2.686 -4.916 7.187 234 HG2 LYS 34 1HG LYS 34 2.628 -6.463 5.426 235 HG3 LYS 34 2HG LYS 34 4.373 -6.374 5.180 236 HD2 LYS 34 1HD LYS 34 4.711 -7.412 7.391 237 HD3 LYS 34 2HD LYS 34 2.961 -7.546 7.578 238 HE2 LYS 34 1HE LYS 34 2.877 -8.961 5.567 239 HE3 LYS 34 2HE LYS 34 4.631 -8.851 5.430 240 HZ1 LYS 34 1HZ LYS 34 3.380 -9.856 7.904 241 HZ2 LYS 34 2HZ LYS 34 4.940 -10.134 7.314 242 HZ3 LYS 34 3HZ LYS 34 3.613 -10.886 6.582 243 H GLY 35 H GLY 35 6.089 -3.369 6.784 244 HA2 GLY 35 1HA GLY 35 8.286 -3.645 6.139 245 HA3 GLY 35 2HA GLY 35 7.715 -4.577 4.763 246 H GLY 36 H GLY 36 9.849 -2.654 4.766 247 HA2 GLY 36 1HA GLY 36 9.133 -1.190 2.440 248 HA3 GLY 36 2HA GLY 36 9.175 -0.126 3.839 249 H TYR 37 H TYR 37 10.906 1.014 2.822 250 HA TYR 37 HA TYR 37 13.375 -0.297 2.219 251 HB2 TYR 37 1HB TYR 37 12.487 1.897 1.228 252 HB3 TYR 37 2HB TYR 37 13.046 2.657 2.714 253 HD1 TYR 37 2HD TYR 37 14.268 0.469 -0.053 254 HD2 TYR 37 1HD TYR 37 15.219 3.460 2.821 255 HE1 TYR 37 2HE TYR 37 16.525 0.663 -1.010 256 HE2 TYR 37 1HE TYR 37 17.478 3.663 1.870 257 HH TYR 37 HH TYR 37 18.485 3.131 -0.611 258 H ASP 38 H ASP 38 12.100 1.512 4.957 259 HA ASP 38 HA ASP 38 14.500 1.770 6.402 260 HB2 ASP 38 1HB ASP 38 12.161 2.865 6.783 261 HB3 ASP 38 2HB ASP 38 11.851 1.439 7.770 262 H GLN 39 H GLN 39 12.634 -0.961 5.685 263 HA GLN 39 HA GLN 39 13.901 -2.474 7.872 264 HB2 GLN 39 1HB GLN 39 11.243 -2.778 6.518 265 HB3 GLN 39 2HB GLN 39 12.013 -4.170 7.268 266 HG2 GLN 39 1HG GLN 39 11.661 -1.638 8.810 267 HG3 GLN 39 2HG GLN 39 10.314 -2.759 8.614 268 HE21 GLN 39 1HE2 GLN 39 11.445 -2.096 11.081 269 HE22 GLN 39 2HE2 GLN 39 12.184 -3.510 11.743 270 H LYS 40 H LYS 40 14.442 -1.771 4.819 271 HA LYS 40 HA LYS 40 15.451 -2.767 3.036 272 HB2 LYS 40 1HB LYS 40 16.407 -4.563 5.269 273 HB3 LYS 40 2HB LYS 40 17.030 -4.640 3.626 274 HG2 LYS 40 1HG LYS 40 17.094 -2.118 5.252 275 HG3 LYS 40 2HG LYS 40 18.387 -3.318 5.303 276 HD2 LYS 40 1HD LYS 40 19.037 -2.905 3.130 277 HD3 LYS 40 2HD LYS 40 17.450 -2.292 2.661 278 HE2 LYS 40 1HE LYS 40 17.824 -0.222 3.717 279 HE3 LYS 40 2HE LYS 40 19.207 -0.840 4.618 280 HZ1 LYS 40 1HZ LYS 40 20.022 -1.231 2.115 281 HZ2 LYS 40 2HZ LYS 40 20.350 0.177 2.992 282 HZ3 LYS 40 3HZ LYS 40 19.064 0.146 1.895 283 H MET 41 H MET 41 12.732 -3.654 3.784 284 HA MET 41 HA MET 41 12.765 -6.225 2.355 285 HB2 MET 41 1HB MET 41 11.110 -7.147 3.748 286 HB3 MET 41 2HB MET 41 12.248 -6.389 4.854 287 HG2 MET 41 1HG MET 41 10.798 -4.594 5.286 288 HG3 MET 41 2HG MET 41 9.772 -4.989 3.909 289 HE1 MET 41 1HE MET 41 7.520 -7.384 4.579 290 HE2 MET 41 2HE MET 41 8.988 -7.308 3.605 291 HE3 MET 41 3HE MET 41 8.826 -8.535 4.862 292 HA PRO 42 HA PRO 42 9.901 -4.419 -0.441 293 HB2 PRO 42 1HB PRO 42 8.477 -6.603 -1.198 294 HB3 PRO 42 2HB PRO 42 10.142 -6.315 -1.716 295 HG2 PRO 42 1HG PRO 42 9.119 -8.078 0.476 296 HG3 PRO 42 2HG PRO 42 10.382 -8.405 -0.726 297 HD2 PRO 42 1HD PRO 42 10.947 -7.674 1.820 298 HD3 PRO 42 2HD PRO 42 11.978 -7.224 0.446 299 H VAL 43 H VAL 43 7.700 -3.843 -0.736 300 HA VAL 43 HA VAL 43 6.159 -3.907 1.723 301 HB VAL 43 HB VAL 43 5.741 -2.459 -0.890 302 HG11 VAL 43 1HG1 VAL 43 3.574 -3.074 0.077 303 HG12 VAL 43 2HG1 VAL 43 4.046 -2.321 1.602 304 HG13 VAL 43 3HG1 VAL 43 3.852 -1.334 0.152 305 HG21 VAL 43 1HG2 VAL 43 5.961 -0.945 1.599 306 HG22 VAL 43 2HG2 VAL 43 7.403 -1.881 1.208 307 HG23 VAL 43 3HG2 VAL 43 6.773 -0.708 0.052 308 H ILE 44 H ILE 44 5.020 -5.716 2.055 309 HA ILE 44 HA ILE 44 3.436 -6.785 -0.190 310 HB ILE 44 HB ILE 44 4.405 -8.275 2.252 311 HG12 ILE 44 1HG1 ILE 44 5.694 -9.543 0.384 312 HG13 ILE 44 2HG1 ILE 44 5.418 -8.091 -0.572 313 HG21 ILE 44 1HG2 ILE 44 2.421 -9.317 1.622 314 HG22 ILE 44 2HG2 ILE 44 2.714 -9.052 -0.095 315 HG23 ILE 44 3HG2 ILE 44 3.658 -10.253 0.785 316 HD11 ILE 44 1HD1 ILE 44 6.409 -7.249 1.923 317 HD12 ILE 44 2HD1 ILE 44 7.414 -8.597 1.389 318 HD13 ILE 44 3HD1 ILE 44 7.206 -7.187 0.351 319 H VAL 45 H VAL 45 1.300 -7.446 0.209 320 HA VAL 45 HA VAL 45 -0.212 -5.802 1.884 321 HB VAL 45 HB VAL 45 -0.877 -8.400 0.515 322 HG11 VAL 45 1HG1 VAL 45 -2.336 -7.059 2.634 323 HG12 VAL 45 2HG1 VAL 45 -3.284 -7.194 1.152 324 HG13 VAL 45 3HG1 VAL 45 -2.606 -8.640 1.901 325 HG21 VAL 45 1HG2 VAL 45 -1.767 -7.130 -1.159 326 HG22 VAL 45 2HG2 VAL 45 -2.181 -5.797 -0.081 327 HG23 VAL 45 3HG2 VAL 45 -0.511 -6.025 -0.599 328 H SER 46 H SER 46 -0.698 -5.872 3.978 329 HA SER 46 HA SER 46 0.351 -7.994 5.620 330 HB2 SER 46 1HB SER 46 0.553 -5.783 6.504 331 HB3 SER 46 2HB SER 46 -1.162 -5.457 6.254 332 HG SER 46 HG SER 46 -1.605 -7.057 7.839 333 H ARG 47 H ARG 47 -2.900 -6.540 5.363 334 HA ARG 47 HA ARG 47 -4.079 -9.205 5.513 335 HB2 ARG 47 1HB ARG 47 -3.873 -8.299 7.852 336 HB3 ARG 47 2HB ARG 47 -4.954 -6.996 7.377 337 HG2 ARG 47 1HG ARG 47 -6.308 -8.571 8.461 338 HG3 ARG 47 2HG ARG 47 -6.616 -8.801 6.739 339 HD2 ARG 47 1HD ARG 47 -4.949 -10.654 6.762 340 HD3 ARG 47 2HD ARG 47 -4.844 -10.474 8.513 341 HE ARG 47 HE ARG 47 -7.520 -10.805 7.944 342 HH11 ARG 47 2HH1 ARG 47 -4.585 -12.622 7.492 343 HH12 ARG 47 1HH1 ARG 47 -5.370 -14.163 7.587 344 HH21 ARG 47 2HH2 ARG 47 -8.566 -12.828 8.070 345 HH22 ARG 47 1HH2 ARG 47 -7.635 -14.280 7.915 346 H VAL 48 H VAL 48 -6.309 -9.268 4.864 347 HA VAL 48 HA VAL 48 -7.328 -6.844 3.570 348 HB VAL 48 HB VAL 48 -7.296 -9.506 2.151 349 HG11 VAL 48 1HG1 VAL 48 -7.777 -7.958 0.183 350 HG12 VAL 48 2HG1 VAL 48 -9.082 -8.212 1.343 351 HG13 VAL 48 3HG1 VAL 48 -8.135 -6.724 1.390 352 HG21 VAL 48 1HG2 VAL 48 -5.654 -8.061 0.647 353 HG22 VAL 48 2HG2 VAL 48 -5.306 -7.303 2.201 354 HG23 VAL 48 3HG2 VAL 48 -5.070 -9.039 1.993 355 H ALA 49 H ALA 49 -9.258 -6.509 4.442 356 HA ALA 49 HA ALA 49 -10.805 -8.661 5.576 357 HB1 ALA 49 1HB ALA 49 -12.407 -6.859 6.164 358 HB2 ALA 49 2HB ALA 49 -10.767 -6.559 6.740 359 HB3 ALA 49 3HB ALA 49 -11.370 -5.711 5.317 360 HA PRO 50 HA PRO 50 -13.409 -9.559 2.153 361 HB2 PRO 50 1HB PRO 50 -15.690 -10.273 3.441 362 HB3 PRO 50 2HB PRO 50 -14.244 -11.290 3.411 363 HG2 PRO 50 1HG PRO 50 -15.214 -9.438 5.554 364 HG3 PRO 50 2HG PRO 50 -14.539 -11.071 5.708 365 HD2 PRO 50 1HD PRO 50 -13.077 -8.840 6.174 366 HD3 PRO 50 2HD PRO 50 -12.366 -10.326 5.514 367 H GLY 51 H GLY 51 -15.509 -8.991 1.147 368 HA2 GLY 51 1HA GLY 51 -16.998 -7.418 0.388 369 HA3 GLY 51 2HA GLY 51 -17.198 -6.966 2.075 370 H THR 52 H THR 52 -14.186 -6.763 0.270 371 HA THR 52 HA THR 52 -14.336 -3.828 0.505 372 HB THR 52 HB THR 52 -11.792 -3.936 0.487 373 HG1 THR 52 1HG THR 52 -12.276 -6.645 1.229 374 HG21 THR 52 1HG2 THR 52 -12.633 -3.349 2.551 375 HG22 THR 52 2HG2 THR 52 -11.798 -4.851 2.949 376 HG23 THR 52 3HG2 THR 52 -13.547 -4.847 2.723 377 HA PRO 53 HA PRO 53 -13.812 -3.452 -3.839 378 HB2 PRO 53 1HB PRO 53 -12.364 -1.161 -3.998 379 HB3 PRO 53 2HB PRO 53 -14.075 -1.187 -3.554 380 HG2 PRO 53 1HG PRO 53 -11.663 -0.996 -1.791 381 HG3 PRO 53 2HG PRO 53 -13.191 -0.101 -1.698 382 HD2 PRO 53 1HD PRO 53 -12.646 -2.223 -0.107 383 HD3 PRO 53 2HD PRO 53 -14.290 -1.838 -0.655 384 H ALA 54 H ALA 54 -11.256 -4.161 -1.800 385 HA ALA 54 HA ALA 54 -9.302 -4.267 -3.992 386 HB1 ALA 54 1HB ALA 54 -7.864 -4.942 -1.808 387 HB2 ALA 54 2HB ALA 54 -8.076 -3.286 -2.379 388 HB3 ALA 54 3HB ALA 54 -9.093 -3.908 -1.079 389 H ASP 55 H ASP 55 -11.487 -6.193 -2.356 390 HA ASP 55 HA ASP 55 -9.906 -8.637 -2.744 391 HB2 ASP 55 1HB ASP 55 -11.004 -8.208 -0.519 392 HB3 ASP 55 2HB ASP 55 -12.561 -8.363 -1.328 393 H LEU 56 H LEU 56 -13.163 -7.344 -3.375 394 HA LEU 56 HA LEU 56 -13.930 -9.472 -5.089 395 HB2 LEU 56 1HB LEU 56 -15.044 -6.674 -5.008 396 HB3 LEU 56 2HB LEU 56 -15.838 -8.112 -5.646 397 HG LEU 56 HG LEU 56 -15.067 -7.976 -2.757 398 HD11 LEU 56 1HD1 LEU 56 -17.474 -7.181 -2.414 399 HD12 LEU 56 2HD1 LEU 56 -17.395 -6.634 -4.088 400 HD13 LEU 56 3HD1 LEU 56 -16.273 -5.981 -2.894 401 HD21 LEU 56 1HD2 LEU 56 -16.377 -9.791 -2.532 402 HD22 LEU 56 2HD2 LEU 56 -16.106 -9.964 -4.267 403 HD23 LEU 56 3HD2 LEU 56 -17.580 -9.195 -3.676 404 H CYS 57 H CYS 57 -11.796 -6.919 -5.523 405 HA CYS 57 HA CYS 57 -12.271 -6.345 -8.273 406 HB2 CYS 57 1HB CYS 57 -10.405 -4.963 -8.162 407 HB3 CYS 57 2HB CYS 57 -10.953 -4.976 -6.490 408 HG CYS 57 HG CYS 57 -8.161 -6.324 -7.837 409 H VAL 58 H VAL 58 -10.324 -6.658 -9.850 410 HA VAL 58 HA VAL 58 -9.120 -9.308 -9.566 411 HB VAL 58 HB VAL 58 -11.148 -9.809 -10.759 412 HG11 VAL 58 1HG1 VAL 58 -11.652 -8.728 -12.934 413 HG12 VAL 58 2HG1 VAL 58 -11.744 -7.619 -11.564 414 HG13 VAL 58 3HG1 VAL 58 -10.340 -7.589 -12.633 415 HG21 VAL 58 1HG2 VAL 58 -9.859 -10.120 -13.170 416 HG22 VAL 58 2HG2 VAL 58 -8.529 -10.021 -12.015 417 HG23 VAL 58 3HG2 VAL 58 -9.788 -11.239 -11.808 418 HA PRO 59 HA PRO 59 -7.637 -10.519 -10.278 419 HB2 PRO 59 1HB PRO 59 -5.074 -10.603 -9.387 420 HB3 PRO 59 2HB PRO 59 -5.517 -10.917 -11.069 421 HG2 PRO 59 1HG PRO 59 -4.443 -8.413 -9.829 422 HG3 PRO 59 2HG PRO 59 -4.002 -9.179 -11.367 423 HD2 PRO 59 1HD PRO 59 -5.671 -7.050 -11.224 424 HD3 PRO 59 2HD PRO 59 -5.829 -8.306 -12.469 425 H ARG 60 H ARG 60 -8.293 -11.058 -8.285 426 HA ARG 60 HA ARG 60 -8.708 -9.234 -6.252 427 HB2 ARG 60 1HB ARG 60 -9.967 -11.183 -6.078 428 HB3 ARG 60 2HB ARG 60 -8.572 -12.225 -6.323 429 HG2 ARG 60 1HG ARG 60 -7.756 -11.683 -4.095 430 HG3 ARG 60 2HG ARG 60 -9.132 -10.605 -3.848 431 HD2 ARG 60 1HD ARG 60 -10.667 -12.458 -4.005 432 HD3 ARG 60 2HD ARG 60 -9.351 -13.558 -4.413 433 HE ARG 60 HE ARG 60 -9.074 -12.210 -1.873 434 HH11 ARG 60 2HH1 ARG 60 -10.250 -15.019 -3.559 435 HH12 ARG 60 1HH1 ARG 60 -10.253 -16.025 -2.149 436 HH21 ARG 60 2HH2 ARG 60 -9.073 -13.525 -0.009 437 HH22 ARG 60 1HH2 ARG 60 -9.585 -15.174 -0.130 438 H LEU 61 H LEU 61 -7.398 -8.232 -4.883 439 HA LEU 61 HA LEU 61 -4.617 -8.920 -4.726 440 HB2 LEU 61 1HB LEU 61 -5.409 -6.593 -4.708 441 HB3 LEU 61 2HB LEU 61 -6.205 -6.889 -3.163 442 HG LEU 61 HG LEU 61 -3.857 -7.447 -2.285 443 HD11 LEU 61 1HD1 LEU 61 -3.004 -5.773 -4.630 444 HD12 LEU 61 2HD1 LEU 61 -2.904 -7.533 -4.629 445 HD13 LEU 61 3HD1 LEU 61 -1.991 -6.598 -3.445 446 HD21 LEU 61 1HD2 LEU 61 -4.014 -4.578 -3.038 447 HD22 LEU 61 2HD2 LEU 61 -3.692 -5.323 -1.472 448 HD23 LEU 61 3HD2 LEU 61 -5.340 -5.263 -2.098 449 H ASN 62 H ASN 62 -4.235 -10.806 -3.680 450 HA ASN 62 HA ASN 62 -5.386 -11.146 -0.995 451 HB2 ASN 62 1HB ASN 62 -4.691 -13.547 -1.268 452 HB3 ASN 62 2HB ASN 62 -5.916 -13.008 -2.413 453 HD21 ASN 62 1HD2 ASN 62 -5.486 -14.422 -4.024 454 HD22 ASN 62 2HD2 ASN 62 -4.002 -14.455 -4.909 455 H GLU 63 H GLU 63 -3.984 -12.091 0.662 456 HA GLU 63 HA GLU 63 -1.708 -10.638 1.158 457 HB2 GLU 63 1HB GLU 63 -2.254 -13.454 2.115 458 HB3 GLU 63 2HB GLU 63 -1.148 -12.306 2.857 459 HG2 GLU 63 1HG GLU 63 -2.878 -10.961 3.645 460 HG3 GLU 63 2HG GLU 63 -4.056 -11.671 2.543 461 H GLY 64 H GLY 64 0.456 -10.841 0.775 462 HA2 GLY 64 1HA GLY 64 2.381 -12.177 0.171 463 HA3 GLY 64 2HA GLY 64 1.326 -13.144 -0.848 464 H ASP 65 H ASP 65 -0.046 -10.858 -1.998 465 HA ASP 65 HA ASP 65 1.466 -10.449 -4.279 466 HB2 ASP 65 1HB ASP 65 -0.869 -9.036 -3.061 467 HB3 ASP 65 2HB ASP 65 -0.061 -8.297 -4.441 468 H GLN 66 H GLN 66 3.585 -9.880 -3.799 469 HA GLN 66 HA GLN 66 4.280 -7.667 -2.161 470 HB2 GLN 66 1HB GLN 66 5.935 -9.331 -2.427 471 HB3 GLN 66 2HB GLN 66 5.795 -9.307 -4.179 472 HG2 GLN 66 1HG GLN 66 6.727 -7.003 -4.159 473 HG3 GLN 66 2HG GLN 66 6.996 -7.179 -2.426 474 HE21 GLN 66 1HE2 GLN 66 8.687 -7.018 -5.026 475 HE22 GLN 66 2HE2 GLN 66 9.887 -8.234 -4.773 476 H VAL 67 H VAL 67 4.050 -5.588 -2.613 477 HA VAL 67 HA VAL 67 3.422 -4.695 -5.274 478 HB VAL 67 HB VAL 67 4.001 -2.919 -2.912 479 HG11 VAL 67 1HG1 VAL 67 3.468 -2.293 -5.502 480 HG12 VAL 67 2HG1 VAL 67 1.849 -2.278 -4.800 481 HG13 VAL 67 3HG1 VAL 67 3.115 -1.250 -4.125 482 HG21 VAL 67 1HG2 VAL 67 2.412 -4.265 -1.936 483 HG22 VAL 67 2HG2 VAL 67 1.392 -3.057 -2.718 484 HG23 VAL 67 3HG2 VAL 67 1.625 -4.634 -3.471 485 H VAL 68 H VAL 68 4.798 -3.989 -6.762 486 HA VAL 68 HA VAL 68 7.592 -3.548 -6.000 487 HB VAL 68 HB VAL 68 6.403 -3.841 -8.762 488 HG11 VAL 68 1HG1 VAL 68 9.225 -4.439 -8.424 489 HG12 VAL 68 2HG1 VAL 68 8.421 -3.404 -9.606 490 HG13 VAL 68 3HG1 VAL 68 8.837 -2.768 -8.014 491 HG21 VAL 68 1HG2 VAL 68 7.897 -6.057 -8.399 492 HG22 VAL 68 2HG2 VAL 68 7.306 -5.804 -6.757 493 HG23 VAL 68 3HG2 VAL 68 6.162 -5.982 -8.087 494 H LEU 69 H LEU 69 5.161 -2.064 -8.150 495 HA LEU 69 HA LEU 69 6.208 0.570 -7.405 496 HB2 LEU 69 1HB LEU 69 5.566 -0.181 -10.248 497 HB3 LEU 69 2HB LEU 69 6.258 1.333 -9.668 498 HG LEU 69 HG LEU 69 7.688 -1.307 -9.444 499 HD11 LEU 69 1HD1 LEU 69 7.584 -1.175 -11.726 500 HD12 LEU 69 2HD1 LEU 69 9.016 -0.193 -11.416 501 HD13 LEU 69 3HD1 LEU 69 7.465 0.585 -11.732 502 HD21 LEU 69 1HD2 LEU 69 9.600 -0.028 -8.974 503 HD22 LEU 69 2HD2 LEU 69 8.316 0.697 -8.007 504 HD23 LEU 69 3HD2 LEU 69 8.835 1.469 -9.507 505 H ILE 70 H ILE 70 4.690 2.160 -7.244 506 HA ILE 70 HA ILE 70 1.901 1.318 -7.624 507 HB ILE 70 HB ILE 70 3.070 3.483 -5.876 508 HG12 ILE 70 1HG1 ILE 70 1.518 1.016 -5.086 509 HG13 ILE 70 2HG1 ILE 70 3.276 1.059 -5.161 510 HG21 ILE 70 1HG2 ILE 70 1.093 4.487 -5.897 511 HG22 ILE 70 2HG2 ILE 70 0.454 3.262 -6.993 512 HG23 ILE 70 3HG2 ILE 70 0.361 3.019 -5.249 513 HD11 ILE 70 1HD1 ILE 70 1.741 3.020 -3.502 514 HD12 ILE 70 2HD1 ILE 70 2.157 1.416 -2.897 515 HD13 ILE 70 3HD1 ILE 70 3.433 2.538 -3.372 516 H ASN 71 H ASN 71 0.907 2.073 -9.363 517 HA ASN 71 HA ASN 71 0.308 3.387 -11.121 518 HB2 ASN 71 1HB ASN 71 0.885 5.329 -8.932 519 HB3 ASN 71 2HB ASN 71 0.649 5.967 -10.557 520 HD21 ASN 71 1HD2 ASN 71 -0.872 5.311 -7.756 521 HD22 ASN 71 2HD2 ASN 71 -2.488 5.101 -8.331 522 H GLY 72 H GLY 72 3.112 2.448 -10.871 523 HA2 GLY 72 1HA GLY 72 4.900 2.557 -12.344 524 HA3 GLY 72 2HA GLY 72 4.176 3.985 -13.068 525 H ARG 73 H ARG 73 4.981 3.515 -9.662 526 HA ARG 73 HA ARG 73 7.113 5.523 -9.943 527 HB2 ARG 73 1HB ARG 73 5.059 6.585 -9.060 528 HB3 ARG 73 2HB ARG 73 5.059 5.439 -7.727 529 HG2 ARG 73 1HG ARG 73 5.980 7.426 -6.876 530 HG3 ARG 73 2HG ARG 73 7.343 6.333 -7.125 531 HD2 ARG 73 1HD ARG 73 7.989 8.480 -7.931 532 HD3 ARG 73 2HD ARG 73 7.720 7.445 -9.333 533 HE ARG 73 HE ARG 73 5.343 8.644 -9.083 534 HH11 ARG 73 2HH1 ARG 73 8.583 9.918 -9.045 535 HH12 ARG 73 1HH1 ARG 73 8.128 11.452 -9.708 536 HH21 ARG 73 2HH2 ARG 73 4.731 10.660 -9.957 537 HH22 ARG 73 1HH2 ARG 73 5.936 11.874 -10.226 538 H ASP 74 H ASP 74 8.830 5.360 -8.475 539 HA ASP 74 HA ASP 74 9.267 2.685 -7.471 540 HB2 ASP 74 1HB ASP 74 11.527 3.704 -6.808 541 HB3 ASP 74 2HB ASP 74 11.160 3.602 -8.528 542 H ILE 75 H ILE 75 7.748 2.578 -5.769 543 HA ILE 75 HA ILE 75 8.018 4.430 -3.546 544 HB ILE 75 HB ILE 75 6.165 3.199 -2.529 545 HG12 ILE 75 1HG1 ILE 75 5.073 1.499 -4.261 546 HG13 ILE 75 2HG1 ILE 75 6.750 1.310 -4.762 547 HG21 ILE 75 1HG2 ILE 75 4.912 3.415 -5.094 548 HG22 ILE 75 2HG2 ILE 75 4.800 4.494 -3.704 549 HG23 ILE 75 3HG2 ILE 75 6.085 4.717 -4.892 550 HD11 ILE 75 1HD1 ILE 75 6.702 -0.307 -3.198 551 HD12 ILE 75 2HD1 ILE 75 7.054 1.046 -2.122 552 HD13 ILE 75 3HD1 ILE 75 5.400 0.457 -2.287 553 H ALA 76 H ALA 76 9.258 1.404 -4.512 554 HA ALA 76 HA ALA 76 9.643 0.137 -2.037 555 HB1 ALA 76 1HB ALA 76 11.770 -0.726 -3.480 556 HB2 ALA 76 2HB ALA 76 10.135 -1.371 -3.628 557 HB3 ALA 76 3HB ALA 76 10.704 -0.145 -4.760 558 H GLU 77 H GLU 77 11.332 2.750 -3.591 559 HA GLU 77 HA GLU 77 13.642 2.584 -1.866 560 HB2 GLU 77 1HB GLU 77 12.772 4.745 -3.795 561 HB3 GLU 77 2HB GLU 77 14.324 4.686 -2.971 562 HG2 GLU 77 1HG GLU 77 14.490 2.332 -4.101 563 HG3 GLU 77 2HG GLU 77 13.301 3.015 -5.209 564 H HIS 78 H HIS 78 10.524 3.667 -1.478 565 HA HIS 78 HA HIS 78 11.271 5.793 0.400 566 HB2 HIS 78 1HB HIS 78 8.553 5.034 -0.693 567 HB3 HIS 78 2HB HIS 78 8.882 6.394 0.377 568 HD1 HIS 78 1HD HIS 78 10.166 5.204 -3.012 569 HD2 HIS 78 2HD HIS 78 9.128 8.692 -1.007 570 HE1 HIS 78 1HE HIS 78 10.466 7.057 -4.686 571 HE2 HIS 78 2HE HIS 78 9.914 9.166 -3.425 572 H THR 79 H THR 79 10.518 5.793 2.542 573 HA THR 79 HA THR 79 10.548 3.282 3.829 574 HB THR 79 HB THR 79 10.010 4.509 5.887 575 HG1 THR 79 1HG THR 79 8.598 6.050 4.568 576 HG21 THR 79 1HG2 THR 79 12.270 4.793 4.335 577 HG22 THR 79 2HG2 THR 79 12.110 5.281 6.022 578 HG23 THR 79 3HG2 THR 79 11.848 6.457 4.734 579 H HIS 80 H HIS 80 8.844 2.476 5.304 580 HA HIS 80 HA HIS 80 6.489 1.878 3.955 581 HB2 HIS 80 1HB HIS 80 7.174 0.442 5.725 582 HB3 HIS 80 2HB HIS 80 7.185 1.764 6.889 583 HD1 HIS 80 1HD HIS 80 5.168 -0.994 5.808 584 HD2 HIS 80 2HD HIS 80 4.408 2.808 7.300 585 HE1 HIS 80 1HE HIS 80 2.794 -1.058 6.635 586 HE2 HIS 80 2HE HIS 80 2.329 1.277 7.455 587 H ASP 81 H ASP 81 6.849 4.056 6.760 588 HA ASP 81 HA ASP 81 4.344 5.041 7.016 589 HB2 ASP 81 1HB ASP 81 5.855 5.924 8.540 590 HB3 ASP 81 2HB ASP 81 7.023 6.350 7.291 591 H GLN 82 H GLN 82 6.760 6.736 5.009 592 HA GLN 82 HA GLN 82 5.149 8.544 3.769 593 HB2 GLN 82 1HB GLN 82 7.717 7.952 3.494 594 HB3 GLN 82 2HB GLN 82 7.136 7.126 2.055 595 HG2 GLN 82 1HG GLN 82 6.480 9.079 1.031 596 HG3 GLN 82 2HG GLN 82 6.333 9.952 2.556 597 HE21 GLN 82 1HE2 GLN 82 8.628 9.768 3.775 598 HE22 GLN 82 2HE2 GLN 82 9.937 10.364 2.818 599 H VAL 83 H VAL 83 5.871 5.298 2.477 600 HA VAL 83 HA VAL 83 4.329 5.273 0.235 601 HB VAL 83 HB VAL 83 4.849 3.086 2.230 602 HG11 VAL 83 1HG1 VAL 83 4.033 1.588 0.272 603 HG12 VAL 83 2HG1 VAL 83 2.849 2.293 1.375 604 HG13 VAL 83 3HG1 VAL 83 3.121 3.018 -0.210 605 HG21 VAL 83 1HG2 VAL 83 6.803 3.533 1.072 606 HG22 VAL 83 2HG2 VAL 83 6.092 2.232 0.115 607 HG23 VAL 83 3HG2 VAL 83 5.952 3.905 -0.427 608 H VAL 84 H VAL 84 3.164 4.194 3.433 609 HA VAL 84 HA VAL 84 0.546 3.697 2.878 610 HB VAL 84 HB VAL 84 1.590 5.108 5.337 611 HG11 VAL 84 1HG1 VAL 84 -0.450 5.031 6.237 612 HG12 VAL 84 2HG1 VAL 84 -1.044 4.760 4.597 613 HG13 VAL 84 3HG1 VAL 84 -0.731 3.388 5.661 614 HG21 VAL 84 1HG2 VAL 84 1.719 2.902 6.325 615 HG22 VAL 84 2HG2 VAL 84 1.093 2.172 4.847 616 HG23 VAL 84 3HG2 VAL 84 2.677 2.947 4.845 617 H LEU 85 H LEU 85 1.972 6.873 3.562 618 HA LEU 85 HA LEU 85 -0.489 8.291 3.341 619 HB2 LEU 85 1HB LEU 85 2.386 9.003 3.546 620 HB3 LEU 85 2HB LEU 85 1.280 10.229 2.930 621 HG LEU 85 HG LEU 85 -0.057 9.950 5.033 622 HD11 LEU 85 1HD1 LEU 85 0.638 7.767 5.727 623 HD12 LEU 85 2HD1 LEU 85 1.147 8.927 6.954 624 HD13 LEU 85 3HD1 LEU 85 2.324 8.278 5.813 625 HD21 LEU 85 1HD2 LEU 85 2.080 10.895 6.421 626 HD22 LEU 85 2HD2 LEU 85 1.104 11.850 5.304 627 HD23 LEU 85 3HD2 LEU 85 2.616 11.124 4.756 628 H PHE 86 H PHE 86 1.879 7.174 1.081 629 HA PHE 86 HA PHE 86 1.435 8.942 -1.045 630 HB2 PHE 86 1HB PHE 86 3.237 7.122 -0.794 631 HB3 PHE 86 2HB PHE 86 2.024 6.013 -1.425 632 HD1 PHE 86 2HD PHE 86 0.931 6.664 -3.676 633 HD2 PHE 86 1HD PHE 86 4.595 8.294 -2.248 634 HE1 PHE 86 2HE PHE 86 1.536 7.307 -5.973 635 HE2 PHE 86 1HE PHE 86 5.205 8.941 -4.542 636 HZ PHE 86 HZ PHE 86 3.676 8.446 -6.408 637 H ILE 87 H ILE 87 0.035 5.698 -0.542 638 HA ILE 87 HA ILE 87 -1.812 5.891 -2.667 639 HB ILE 87 HB ILE 87 -1.995 4.161 -0.199 640 HG12 ILE 87 1HG1 ILE 87 -1.011 3.221 -2.868 641 HG13 ILE 87 2HG1 ILE 87 0.093 4.069 -1.791 642 HG21 ILE 87 1HG2 ILE 87 -3.110 3.185 -2.720 643 HG22 ILE 87 2HG2 ILE 87 -3.779 3.142 -1.090 644 HG23 ILE 87 3HG2 ILE 87 -3.933 4.601 -2.067 645 HD11 ILE 87 1HD1 ILE 87 0.319 2.301 -0.453 646 HD12 ILE 87 2HD1 ILE 87 -1.404 1.926 -0.496 647 HD13 ILE 87 3HD1 ILE 87 -0.351 1.386 -1.803 648 H LYS 88 H LYS 88 -1.999 6.728 0.742 649 HA LYS 88 HA LYS 88 -4.751 7.079 0.996 650 HB2 LYS 88 1HB LYS 88 -2.369 8.272 2.362 651 HB3 LYS 88 2HB LYS 88 -3.970 8.913 2.708 652 HG2 LYS 88 1HG LYS 88 -4.551 6.382 3.089 653 HG3 LYS 88 2HG LYS 88 -2.811 6.251 3.350 654 HD2 LYS 88 1HD LYS 88 -4.631 8.183 4.786 655 HD3 LYS 88 2HD LYS 88 -4.083 6.637 5.440 656 HE2 LYS 88 1HE LYS 88 -1.715 7.514 5.003 657 HE3 LYS 88 2HE LYS 88 -2.473 9.096 4.823 658 HZ1 LYS 88 1HZ LYS 88 -2.813 9.267 7.014 659 HZ2 LYS 88 2HZ LYS 88 -1.629 8.067 7.153 660 HZ3 LYS 88 3HZ LYS 88 -3.267 7.647 7.192 661 H ALA 89 H ALA 89 -2.267 9.327 -0.149 662 HA ALA 89 HA ALA 89 -3.546 11.694 -0.336 663 HB1 ALA 89 1HB ALA 89 -1.264 11.290 -1.147 664 HB2 ALA 89 2HB ALA 89 -1.923 10.478 -2.568 665 HB3 ALA 89 3HB ALA 89 -2.231 12.196 -2.312 666 H SER 90 H SER 90 -3.983 8.969 -2.564 667 HA SER 90 HA SER 90 -5.490 9.911 -4.556 668 HB2 SER 90 1HB SER 90 -6.786 7.797 -4.530 669 HB3 SER 90 2HB SER 90 -5.062 7.525 -4.282 670 HG SER 90 HG SER 90 -5.610 6.562 -2.509 671 H CYS 91 H CYS 91 -6.632 9.471 -1.245 672 HA CYS 91 HA CYS 91 -9.300 9.829 -1.395 673 HB2 CYS 91 1HB CYS 91 -7.424 11.204 0.538 674 HB3 CYS 91 2HB CYS 91 -9.166 11.082 0.757 675 HG CYS 91 HG CYS 91 -7.066 9.126 2.002 676 H GLU 92 H GLU 92 -6.932 12.487 -1.450 677 HA GLU 92 HA GLU 92 -8.881 14.514 -1.865 678 HB2 GLU 92 1HB GLU 92 -6.453 14.716 -0.976 679 HB3 GLU 92 2HB GLU 92 -6.000 14.780 -2.674 680 HG2 GLU 92 1HG GLU 92 -6.984 16.824 -3.006 681 HG3 GLU 92 2HG GLU 92 -8.119 16.615 -1.674 682 H ARG 93 H ARG 93 -6.816 12.623 -4.011 683 HA ARG 93 HA ARG 93 -7.222 14.006 -6.388 684 HB2 ARG 93 1HB ARG 93 -5.606 12.139 -6.056 685 HB3 ARG 93 2HB ARG 93 -6.956 11.011 -6.075 686 HG2 ARG 93 1HG ARG 93 -7.270 11.203 -8.323 687 HG3 ARG 93 2HG ARG 93 -6.654 12.856 -8.379 688 HD2 ARG 93 1HD ARG 93 -4.878 10.508 -7.783 689 HD3 ARG 93 2HD ARG 93 -5.219 11.026 -9.433 690 HE ARG 93 HE ARG 93 -4.331 13.201 -7.838 691 HH11 ARG 93 2HH1 ARG 93 -3.218 10.371 -9.533 692 HH12 ARG 93 1HH1 ARG 93 -1.626 10.998 -9.802 693 HH21 ARG 93 2HH2 ARG 93 -2.238 14.038 -8.186 694 HH22 ARG 93 1HH2 ARG 93 -1.069 13.084 -9.035 695 H HIS 94 H HIS 94 -9.371 14.726 -6.480 696 HA HIS 94 HA HIS 94 -11.714 13.427 -6.151 697 HB2 HIS 94 1HB HIS 94 -12.717 15.054 -7.445 698 HB3 HIS 94 2HB HIS 94 -11.168 15.820 -7.103 699 HD1 HIS 94 1HD HIS 94 -13.255 14.526 -9.860 700 HD2 HIS 94 2HD HIS 94 -9.357 15.856 -9.315 701 HE1 HIS 94 1HE HIS 94 -12.353 14.929 -12.173 702 HE2 HIS 94 2HE HIS 94 -9.966 15.652 -11.820 703 H SER 95 H SER 95 -9.555 13.102 -8.921 704 HA SER 95 HA SER 95 -10.965 10.645 -9.659 705 HB2 SER 95 1HB SER 95 -10.329 12.915 -11.554 706 HB3 SER 95 2HB SER 95 -10.769 11.292 -12.085 707 HG SER 95 HG SER 95 -12.675 11.719 -10.579 708 H GLY 96 H GLY 96 -9.610 9.011 -10.053 709 HA2 GLY 96 1HA GLY 96 -7.315 8.905 -11.483 710 HA3 GLY 96 2HA GLY 96 -6.764 9.492 -9.921 711 H GLU 97 H GLU 97 -8.186 6.798 -11.643 712 HA GLU 97 HA GLU 97 -8.724 4.998 -9.658 713 HB2 GLU 97 1HB GLU 97 -8.407 3.261 -11.245 714 HB3 GLU 97 2HB GLU 97 -8.969 4.660 -12.149 715 HG2 GLU 97 1HG GLU 97 -6.438 5.105 -12.521 716 HG3 GLU 97 2HG GLU 97 -6.266 3.403 -12.098 717 H LEU 98 H LEU 98 -7.359 2.963 -9.187 718 HA LEU 98 HA LEU 98 -4.660 3.845 -8.405 719 HB2 LEU 98 1HB LEU 98 -6.415 3.337 -6.614 720 HB3 LEU 98 2HB LEU 98 -6.214 1.648 -7.074 721 HG LEU 98 HG LEU 98 -3.744 1.959 -6.537 722 HD11 LEU 98 1HD1 LEU 98 -3.914 4.470 -6.541 723 HD12 LEU 98 2HD1 LEU 98 -3.088 3.765 -5.152 724 HD13 LEU 98 3HD1 LEU 98 -4.748 4.338 -4.993 725 HD21 LEU 98 1HD2 LEU 98 -4.653 0.667 -4.932 726 HD22 LEU 98 2HD2 LEU 98 -6.031 1.742 -4.696 727 HD23 LEU 98 3HD2 LEU 98 -4.480 2.117 -3.943 728 H MET 99 H MET 99 -3.235 3.016 -9.796 729 HA MET 99 HA MET 99 -3.593 0.232 -10.680 730 HB2 MET 99 1HB MET 99 -2.062 2.519 -11.922 731 HB3 MET 99 2HB MET 99 -1.969 0.859 -12.497 732 HG2 MET 99 1HG MET 99 -4.310 0.869 -13.050 733 HG3 MET 99 2HG MET 99 -4.503 2.474 -12.347 734 HE1 MET 99 1HE MET 99 -4.516 1.435 -16.250 735 HE2 MET 99 2HE MET 99 -2.818 0.973 -16.131 736 HE3 MET 99 3HE MET 99 -3.994 0.314 -14.992 737 H LEU 100 H LEU 100 -2.582 -0.960 -9.140 738 HA LEU 100 HA LEU 100 0.154 -0.212 -8.381 739 HB2 LEU 100 1HB LEU 100 -1.398 -2.417 -7.092 740 HB3 LEU 100 2HB LEU 100 -0.107 -1.422 -6.421 741 HG LEU 100 HG LEU 100 -2.755 -0.197 -7.088 742 HD11 LEU 100 1HD1 LEU 100 -3.690 -1.728 -5.713 743 HD12 LEU 100 2HD1 LEU 100 -3.044 -0.658 -4.470 744 HD13 LEU 100 3HD1 LEU 100 -2.162 -2.117 -4.922 745 HD21 LEU 100 1HD2 LEU 100 -1.090 1.378 -6.533 746 HD22 LEU 100 2HD2 LEU 100 -0.498 0.397 -5.192 747 HD23 LEU 100 3HD2 LEU 100 -2.071 1.189 -5.080 748 H LEU 101 H LEU 101 1.816 -1.285 -9.211 749 HA LEU 101 HA LEU 101 1.321 -3.674 -10.797 750 HB2 LEU 101 1HB LEU 101 2.749 -1.686 -11.525 751 HB3 LEU 101 2HB LEU 101 3.964 -2.302 -10.407 752 HG LEU 101 HG LEU 101 3.885 -4.465 -11.724 753 HD11 LEU 101 1HD1 LEU 101 2.748 -4.652 -13.681 754 HD12 LEU 101 2HD1 LEU 101 2.819 -2.923 -14.020 755 HD13 LEU 101 3HD1 LEU 101 1.660 -3.544 -12.845 756 HD21 LEU 101 1HD2 LEU 101 5.180 -3.390 -13.670 757 HD22 LEU 101 2HD2 LEU 101 5.793 -3.168 -12.032 758 HD23 LEU 101 3HD2 LEU 101 4.901 -1.868 -12.824 759 H VAL 102 H VAL 102 1.122 -5.427 -9.508 760 HA VAL 102 HA VAL 102 3.160 -5.885 -7.443 761 HB VAL 102 HB VAL 102 1.689 -7.461 -6.432 762 HG11 VAL 102 1HG1 VAL 102 1.096 -5.281 -5.782 763 HG12 VAL 102 2HG1 VAL 102 0.301 -4.949 -7.323 764 HG13 VAL 102 3HG1 VAL 102 -0.430 -6.073 -6.177 765 HG21 VAL 102 1HG2 VAL 102 0.470 -8.764 -7.765 766 HG22 VAL 102 2HG2 VAL 102 -0.692 -7.440 -7.860 767 HG23 VAL 102 3HG2 VAL 102 0.557 -7.607 -9.094 768 H ARG 103 H ARG 103 4.105 -8.005 -7.239 769 HA ARG 103 HA ARG 103 4.490 -9.274 -9.856 770 HB2 ARG 103 1HB ARG 103 6.456 -8.374 -8.519 771 HB3 ARG 103 2HB ARG 103 6.164 -9.683 -7.381 772 HG2 ARG 103 1HG ARG 103 6.426 -11.274 -9.311 773 HG3 ARG 103 2HG ARG 103 6.980 -9.896 -10.264 774 HD2 ARG 103 1HD ARG 103 8.632 -9.535 -8.291 775 HD3 ARG 103 2HD ARG 103 8.270 -11.218 -7.912 776 HE ARG 103 HE ARG 103 9.034 -10.744 -10.652 777 HH11 ARG 103 2HH1 ARG 103 10.129 -11.487 -7.432 778 HH12 ARG 103 1HH1 ARG 103 11.608 -12.216 -7.963 779 HH21 ARG 103 2HH2 ARG 103 10.978 -11.702 -11.363 780 HH22 ARG 103 1HH2 ARG 103 12.091 -12.337 -10.199 781 HA PRO 104 HA PRO 104 2.175 -12.800 -8.556 782 HB2 PRO 104 1HB PRO 104 3.066 -14.548 -10.431 783 HB3 PRO 104 2HB PRO 104 1.918 -13.255 -10.793 784 HG2 PRO 104 1HG PRO 104 4.875 -13.344 -11.249 785 HG3 PRO 104 2HG PRO 104 3.596 -12.746 -12.321 786 HD2 PRO 104 1HD PRO 104 5.132 -11.094 -10.824 787 HD3 PRO 104 2HD PRO 104 3.440 -10.729 -11.217 788 H ASN 105 H ASN 105 2.507 -15.049 -7.863 789 HA ASN 105 HA ASN 105 5.257 -15.551 -6.933 790 HB2 ASN 105 1HB ASN 105 2.660 -15.883 -5.428 791 HB3 ASN 105 2HB ASN 105 4.165 -16.640 -4.912 792 HD21 ASN 105 1HD2 ASN 105 5.205 -15.560 -3.418 793 HD22 ASN 105 2HD2 ASN 105 5.199 -13.846 -3.202 794 H ALA 106 H ALA 106 4.359 -16.580 -9.317 795 HA ALA 106 HA ALA 106 3.375 -19.271 -8.882 796 HB1 ALA 106 1HB ALA 106 3.293 -19.471 -11.250 797 HB2 ALA 106 2HB ALA 106 2.707 -17.858 -10.844 798 HB3 ALA 106 3HB ALA 106 4.343 -18.071 -11.468 799 H VAL 107 H VAL 107 6.084 -18.272 -7.922 800 HA VAL 107 HA VAL 107 8.171 -19.407 -9.362 801 HB VAL 107 HB VAL 107 9.430 -19.470 -7.271 802 HG11 VAL 107 1HG1 VAL 107 8.847 -17.049 -6.516 803 HG12 VAL 107 2HG1 VAL 107 9.460 -17.332 -8.147 804 HG13 VAL 107 3HG1 VAL 107 7.733 -17.087 -7.882 805 HG21 VAL 107 1HG2 VAL 107 8.360 -18.880 -5.145 806 HG22 VAL 107 2HG2 VAL 107 6.787 -18.870 -5.943 807 HG23 VAL 107 3HG2 VAL 107 7.701 -20.373 -5.812 808 H TYR 108 H TYR 108 9.415 -21.358 -8.890 809 HA TYR 108 HA TYR 108 8.222 -23.701 -9.320 810 HB2 TYR 108 1HB TYR 108 10.733 -23.160 -8.897 811 HB3 TYR 108 2HB TYR 108 10.393 -23.665 -7.245 812 HD1 TYR 108 2HD TYR 108 9.618 -24.919 -10.688 813 HD2 TYR 108 1HD TYR 108 10.990 -25.832 -6.766 814 HE1 TYR 108 2HE TYR 108 9.927 -27.267 -11.349 815 HE2 TYR 108 1HE TYR 108 11.305 -28.183 -7.416 816 HH TYR 108 HH TYR 108 10.450 -29.755 -9.109 817 H ASP 109 H ASP 109 6.933 -25.134 -8.329 818 HA ASP 109 HA ASP 109 6.768 -25.480 -5.523 819 HB2 ASP 109 1HB ASP 109 4.682 -24.498 -4.998 820 HB3 ASP 109 2HB ASP 109 5.565 -23.257 -5.884 821 H VAL 110 H VAL 110 5.574 -27.290 -4.961 822 HA VAL 110 HA VAL 110 4.514 -28.827 -7.238 823 HB VAL 110 HB VAL 110 5.634 -29.813 -4.611 824 HG11 VAL 110 1HG1 VAL 110 4.664 -31.440 -6.956 825 HG12 VAL 110 2HG1 VAL 110 5.275 -32.047 -5.416 826 HG13 VAL 110 3HG1 VAL 110 3.742 -31.177 -5.477 827 HG21 VAL 110 1HG2 VAL 110 7.588 -30.222 -5.657 828 HG22 VAL 110 2HG2 VAL 110 6.806 -30.658 -7.177 829 HG23 VAL 110 3HG2 VAL 110 7.036 -28.960 -6.758 830 H VAL 111 H VAL 111 2.460 -29.542 -7.219 831 HA VAL 111 HA VAL 111 0.936 -29.566 -4.737 832 HB VAL 111 HB VAL 111 0.058 -27.944 -7.131 833 HG11 VAL 111 1HG1 VAL 111 -1.849 -29.030 -6.169 834 HG12 VAL 111 2HG1 VAL 111 -1.341 -28.585 -4.539 835 HG13 VAL 111 3HG1 VAL 111 -1.868 -27.339 -5.670 836 HG21 VAL 111 1HG2 VAL 111 0.207 -26.026 -5.648 837 HG22 VAL 111 2HG2 VAL 111 0.754 -27.062 -4.330 838 HG23 VAL 111 3HG2 VAL 111 1.769 -26.839 -5.755 839 H GLU 112 H GLU 112 -0.627 -31.103 -4.701 840 HA GLU 112 HA GLU 112 -1.759 -32.212 -7.090 841 HB2 GLU 112 1HB GLU 112 0.444 -33.339 -7.045 842 HB3 GLU 112 2HB GLU 112 0.076 -33.960 -5.442 843 HG2 GLU 112 1HG GLU 112 -1.805 -35.216 -6.351 844 HG3 GLU 112 2HG GLU 112 -1.451 -34.586 -7.959 845 H GLU 113 H GLU 113 -3.499 -33.640 -6.673 846 HA GLU 113 HA GLU 113 -4.612 -33.311 -3.998 847 HB2 GLU 113 1HB GLU 113 -5.876 -32.850 -6.194 848 HB3 GLU 113 2HB GLU 113 -6.000 -34.598 -6.337 849 HG2 GLU 113 1HG GLU 113 -7.159 -34.690 -4.187 850 HG3 GLU 113 2HG GLU 113 -7.045 -32.936 -4.055 851 H SER 114 H SER 114 -3.071 -34.839 -3.060 852 HA SER 114 HA SER 114 -3.567 -37.649 -3.719 853 HB2 SER 114 1HB SER 114 -1.374 -36.178 -2.321 854 HB3 SER 114 2HB SER 114 -1.649 -37.869 -1.903 855 HG SER 114 HG SER 114 -0.139 -37.367 -3.705 856 H GLY 115 H GLY 115 -5.074 -38.697 -2.614 857 HA2 GLY 115 1HA GLY 115 -5.255 -39.246 -0.006 858 HA3 GLY 115 2HA GLY 115 -6.005 -37.658 -0.063 859 HA PRO 116 HA PRO 116 -8.764 -40.791 -2.565 860 HB2 PRO 116 1HB PRO 116 -8.409 -43.392 -1.874 861 HB3 PRO 116 2HB PRO 116 -7.532 -42.623 -3.202 862 HG2 PRO 116 1HG PRO 116 -6.633 -43.157 -0.397 863 HG3 PRO 116 2HG PRO 116 -5.745 -43.372 -1.917 864 HD2 PRO 116 1HD PRO 116 -5.374 -41.229 -0.304 865 HD3 PRO 116 2HD PRO 116 -5.214 -41.134 -2.069 866 H SER 117 H SER 117 -7.795 -41.358 0.765 867 HA SER 117 HA SER 117 -9.000 -41.980 2.626 868 HB2 SER 117 1HB SER 117 -10.422 -39.669 1.357 869 HB3 SER 117 2HB SER 117 -11.103 -40.410 2.805 870 HG SER 117 HG SER 117 -9.369 -38.584 2.858 871 H SER 118 H SER 118 -9.463 -43.837 0.648 872 HA SER 118 HA SER 118 -12.231 -44.246 0.132 873 HB2 SER 118 1HB SER 118 -10.213 -45.207 -1.148 874 HB3 SER 118 2HB SER 118 -10.153 -46.428 0.123 875 HG SER 118 HG SER 118 -12.550 -46.598 -0.458 876 H GLY 119 H GLY 119 -13.752 -45.339 1.251 877 HA2 GLY 119 1HA GLY 119 -14.422 -47.070 2.784 878 HA3 GLY 119 2HA GLY 119 -12.903 -46.843 3.637 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.551 30.523 -6.463 2 HA2 GLY 1 1HA GLY 1 4.545 28.299 -4.908 3 HA3 GLY 1 2HA GLY 1 3.333 29.093 -5.903 4 H SER 2 H SER 2 4.178 26.384 -6.155 5 HA SER 2 HA SER 2 4.838 26.394 -8.966 6 HB2 SER 2 1HB SER 2 7.051 26.407 -7.668 7 HB3 SER 2 2HB SER 2 6.625 24.776 -7.152 8 HG SER 2 HG SER 2 6.534 24.184 -9.355 9 H SER 3 H SER 3 3.394 25.061 -9.809 10 HA SER 3 HA SER 3 2.734 22.589 -8.346 11 HB2 SER 3 1HB SER 3 0.889 24.311 -8.366 12 HB3 SER 3 2HB SER 3 0.825 24.126 -10.119 13 HG SER 3 HG SER 3 0.389 21.882 -9.749 14 H GLY 4 H GLY 4 3.378 20.838 -9.399 15 HA2 GLY 4 1HA GLY 4 3.116 20.764 -12.323 16 HA3 GLY 4 2HA GLY 4 4.678 20.396 -11.608 17 H SER 5 H SER 5 4.278 18.356 -12.835 18 HA SER 5 HA SER 5 3.206 16.372 -11.013 19 HB2 SER 5 1HB SER 5 1.833 15.294 -12.799 20 HB3 SER 5 2HB SER 5 1.222 16.874 -12.310 21 HG SER 5 HG SER 5 1.608 17.613 -14.243 22 H SER 6 H SER 6 3.942 14.245 -11.449 23 HA SER 6 HA SER 6 6.275 14.175 -13.243 24 HB2 SER 6 1HB SER 6 5.692 12.621 -10.714 25 HB3 SER 6 2HB SER 6 7.063 12.294 -11.774 26 HG SER 6 HG SER 6 7.469 14.684 -11.425 27 H GLY 7 H GLY 7 6.782 12.007 -14.167 28 HA2 GLY 7 1HA GLY 7 5.386 9.766 -14.387 29 HA3 GLY 7 2HA GLY 7 4.330 10.863 -15.264 30 H ASN 8 H ASN 8 5.944 8.488 -16.115 31 HA ASN 8 HA ASN 8 6.876 9.604 -18.589 32 HB2 ASN 8 1HB ASN 8 8.814 8.654 -16.513 33 HB3 ASN 8 2HB ASN 8 9.177 8.382 -18.215 34 HD21 ASN 8 1HD2 ASN 8 8.903 10.696 -15.681 35 HD22 ASN 8 2HD2 ASN 8 9.517 12.051 -16.559 36 H GLY 9 H GLY 9 5.931 8.240 -19.957 37 HA2 GLY 9 1HA GLY 9 4.990 5.708 -19.476 38 HA3 GLY 9 2HA GLY 9 5.470 6.278 -21.068 39 H GLY 10 H GLY 10 5.927 3.863 -18.921 40 HA2 GLY 10 1HA GLY 10 8.284 2.929 -20.292 41 HA3 GLY 10 2HA GLY 10 8.574 3.337 -18.608 42 H ILE 11 H ILE 11 6.517 1.359 -20.711 43 HA ILE 11 HA ILE 11 5.324 -0.236 -18.781 44 HB ILE 11 HB ILE 11 5.079 -1.953 -20.535 45 HG12 ILE 11 1HG1 ILE 11 6.501 -0.153 -22.462 46 HG13 ILE 11 2HG1 ILE 11 7.435 -1.287 -21.492 47 HG21 ILE 11 1HG2 ILE 11 4.596 0.759 -21.735 48 HG22 ILE 11 2HG2 ILE 11 3.637 -0.708 -21.917 49 HG23 ILE 11 3HG2 ILE 11 3.657 0.146 -20.375 50 HD11 ILE 11 1HD1 ILE 11 5.461 -2.885 -22.463 51 HD12 ILE 11 2HD1 ILE 11 5.709 -1.758 -23.796 52 HD13 ILE 11 3HD1 ILE 11 7.064 -2.700 -23.174 53 HA PRO 12 HA PRO 12 8.567 -2.682 -17.087 54 HB2 PRO 12 1HB PRO 12 7.112 -4.817 -16.251 55 HB3 PRO 12 2HB PRO 12 7.074 -3.250 -15.435 56 HG2 PRO 12 1HG PRO 12 5.138 -4.409 -17.402 57 HG3 PRO 12 2HG PRO 12 4.812 -3.519 -15.904 58 HD2 PRO 12 1HD PRO 12 4.680 -2.357 -18.346 59 HD3 PRO 12 2HD PRO 12 5.181 -1.470 -16.893 60 H HIS 13 H HIS 13 9.508 -4.899 -17.219 61 HA HIS 13 HA HIS 13 9.490 -5.788 -19.982 62 HB2 HIS 13 1HB HIS 13 11.199 -6.577 -17.616 63 HB3 HIS 13 2HB HIS 13 11.395 -7.236 -19.237 64 HD1 HIS 13 1HD HIS 13 11.817 -5.239 -21.126 65 HD2 HIS 13 2HD HIS 13 12.751 -4.415 -17.162 66 HE1 HIS 13 1HE HIS 13 13.388 -3.276 -21.200 67 HE2 HIS 13 2HE HIS 13 14.006 -2.850 -18.795 68 H ASP 14 H ASP 14 9.528 -7.593 -16.907 69 HA ASP 14 HA ASP 14 8.400 -9.925 -18.043 70 HB2 ASP 14 1HB ASP 14 9.756 -10.055 -16.034 71 HB3 ASP 14 2HB ASP 14 8.608 -9.047 -15.156 72 H ASN 15 H ASN 15 6.347 -10.925 -17.115 73 HA ASN 15 HA ASN 15 4.176 -9.094 -17.642 74 HB2 ASN 15 1HB ASN 15 3.912 -11.986 -16.827 75 HB3 ASN 15 2HB ASN 15 2.781 -11.011 -17.761 76 HD21 ASN 15 1HD2 ASN 15 4.947 -13.416 -17.989 77 HD22 ASN 15 2HD2 ASN 15 5.424 -13.244 -19.641 78 H LEU 16 H LEU 16 4.435 -7.731 -15.775 79 HA LEU 16 HA LEU 16 4.115 -8.782 -13.134 80 HB2 LEU 16 1HB LEU 16 4.228 -6.063 -14.351 81 HB3 LEU 16 2HB LEU 16 3.613 -6.239 -12.709 82 HG LEU 16 HG LEU 16 5.959 -5.620 -12.689 83 HD11 LEU 16 1HD1 LEU 16 6.028 -8.483 -11.891 84 HD12 LEU 16 2HD1 LEU 16 4.859 -7.418 -11.112 85 HD13 LEU 16 3HD1 LEU 16 6.582 -7.051 -11.023 86 HD21 LEU 16 1HD2 LEU 16 6.224 -7.997 -14.489 87 HD22 LEU 16 2HD2 LEU 16 7.579 -7.472 -13.490 88 HD23 LEU 16 3HD2 LEU 16 6.882 -6.371 -14.679 89 H VAL 17 H VAL 17 2.333 -8.353 -11.706 90 HA VAL 17 HA VAL 17 -0.231 -8.552 -13.088 91 HB VAL 17 HB VAL 17 0.496 -9.007 -10.191 92 HG11 VAL 17 1HG1 VAL 17 -1.876 -10.106 -10.286 93 HG12 VAL 17 2HG1 VAL 17 -1.709 -8.371 -10.009 94 HG13 VAL 17 3HG1 VAL 17 -2.127 -8.973 -11.614 95 HG21 VAL 17 1HG2 VAL 17 -0.331 -11.378 -10.977 96 HG22 VAL 17 2HG2 VAL 17 0.148 -10.775 -12.564 97 HG23 VAL 17 3HG2 VAL 17 1.331 -10.857 -11.258 98 H LEU 18 H LEU 18 -1.498 -6.841 -13.317 99 HA LEU 18 HA LEU 18 -1.029 -4.480 -11.653 100 HB2 LEU 18 1HB LEU 18 -1.041 -4.285 -14.132 101 HB3 LEU 18 2HB LEU 18 -2.738 -4.759 -14.119 102 HG LEU 18 HG LEU 18 -3.133 -2.706 -12.660 103 HD11 LEU 18 1HD1 LEU 18 -0.431 -2.582 -12.535 104 HD12 LEU 18 2HD1 LEU 18 -1.506 -1.214 -12.253 105 HD13 LEU 18 3HD1 LEU 18 -0.760 -1.437 -13.835 106 HD21 LEU 18 1HD2 LEU 18 -2.339 -1.433 -15.076 107 HD22 LEU 18 2HD2 LEU 18 -3.954 -1.920 -14.563 108 HD23 LEU 18 3HD2 LEU 18 -2.938 -3.046 -15.465 109 H ILE 19 H ILE 19 -2.464 -3.742 -10.202 110 HA ILE 19 HA ILE 19 -4.958 -5.264 -9.881 111 HB ILE 19 HB ILE 19 -3.560 -3.499 -7.867 112 HG12 ILE 19 1HG1 ILE 19 -2.327 -5.599 -8.504 113 HG13 ILE 19 2HG1 ILE 19 -2.786 -5.506 -6.807 114 HG21 ILE 19 1HG2 ILE 19 -5.728 -3.495 -7.133 115 HG22 ILE 19 2HG2 ILE 19 -6.087 -5.069 -7.842 116 HG23 ILE 19 3HG2 ILE 19 -5.140 -4.966 -6.358 117 HD11 ILE 19 1HD1 ILE 19 -3.111 -7.721 -8.052 118 HD12 ILE 19 2HD1 ILE 19 -4.429 -7.127 -7.040 119 HD13 ILE 19 3HD1 ILE 19 -4.506 -6.935 -8.791 120 H ARG 20 H ARG 20 -6.544 -4.270 -10.978 121 HA ARG 20 HA ARG 20 -6.745 -1.349 -10.865 122 HB2 ARG 20 1HB ARG 20 -8.186 -3.365 -12.597 123 HB3 ARG 20 2HB ARG 20 -8.433 -1.626 -12.665 124 HG2 ARG 20 1HG ARG 20 -6.029 -1.371 -13.250 125 HG3 ARG 20 2HG ARG 20 -5.917 -3.130 -13.337 126 HD2 ARG 20 1HD ARG 20 -7.981 -1.637 -14.913 127 HD3 ARG 20 2HD ARG 20 -6.329 -1.793 -15.508 128 HE ARG 20 HE ARG 20 -6.940 -4.335 -14.976 129 HH11 ARG 20 2HH1 ARG 20 -8.717 -1.855 -16.653 130 HH12 ARG 20 1HH1 ARG 20 -9.535 -2.967 -17.700 131 HH21 ARG 20 2HH2 ARG 20 -8.011 -5.809 -16.349 132 HH22 ARG 20 1HH2 ARG 20 -9.133 -5.215 -17.526 133 H MET 21 H MET 21 -8.005 -0.489 -9.362 134 HA MET 21 HA MET 21 -10.598 -1.684 -8.794 135 HB2 MET 21 1HB MET 21 -10.278 -1.649 -6.383 136 HB3 MET 21 2HB MET 21 -9.077 -2.689 -7.136 137 HG2 MET 21 1HG MET 21 -7.407 -0.937 -6.936 138 HG3 MET 21 2HG MET 21 -8.607 0.140 -6.226 139 HE1 MET 21 1HE MET 21 -5.897 -1.909 -5.905 140 HE2 MET 21 2HE MET 21 -5.659 -2.112 -4.170 141 HE3 MET 21 3HE MET 21 -6.457 -3.378 -5.105 142 H LYS 22 H LYS 22 -11.775 -0.203 -7.116 143 HA LYS 22 HA LYS 22 -11.125 2.608 -7.703 144 HB2 LYS 22 1HB LYS 22 -13.471 3.110 -8.006 145 HB3 LYS 22 2HB LYS 22 -13.010 1.819 -9.108 146 HG2 LYS 22 1HG LYS 22 -14.190 0.213 -7.925 147 HG3 LYS 22 2HG LYS 22 -14.225 1.183 -6.451 148 HD2 LYS 22 1HD LYS 22 -15.618 2.839 -7.904 149 HD3 LYS 22 2HD LYS 22 -15.891 1.424 -8.924 150 HE2 LYS 22 1HE LYS 22 -17.693 1.341 -7.479 151 HE3 LYS 22 2HE LYS 22 -16.539 0.263 -6.695 152 HZ1 LYS 22 1HZ LYS 22 -17.167 1.557 -4.945 153 HZ2 LYS 22 2HZ LYS 22 -17.429 2.935 -5.889 154 HZ3 LYS 22 3HZ LYS 22 -15.851 2.467 -5.496 155 HA PRO 23 HA PRO 23 -11.484 3.325 -3.384 156 HB2 PRO 23 1HB PRO 23 -12.282 5.920 -3.379 157 HB3 PRO 23 2HB PRO 23 -10.638 5.422 -3.795 158 HG2 PRO 23 1HG PRO 23 -12.917 6.131 -5.602 159 HG3 PRO 23 2HG PRO 23 -11.208 6.588 -5.724 160 HD2 PRO 23 1HD PRO 23 -12.290 4.591 -7.198 161 HD3 PRO 23 2HD PRO 23 -10.602 4.566 -6.648 162 H ASP 24 H ASP 24 -12.990 2.876 -1.901 163 HA ASP 24 HA ASP 24 -15.619 2.292 -2.453 164 HB2 ASP 24 1HB ASP 24 -14.198 1.823 -0.330 165 HB3 ASP 24 2HB ASP 24 -14.838 3.360 0.244 166 H GLU 25 H GLU 25 -17.476 3.455 -1.082 167 HA GLU 25 HA GLU 25 -18.168 5.759 -2.451 168 HB2 GLU 25 1HB GLU 25 -19.589 4.166 -0.956 169 HB3 GLU 25 2HB GLU 25 -19.164 5.279 0.337 170 HG2 GLU 25 1HG GLU 25 -20.260 7.083 -0.725 171 HG3 GLU 25 2HG GLU 25 -20.437 6.180 -2.228 172 H ASN 26 H ASN 26 -17.050 5.560 0.932 173 HA ASN 26 HA ASN 26 -16.774 8.378 1.207 174 HB2 ASN 26 1HB ASN 26 -15.344 6.346 2.910 175 HB3 ASN 26 2HB ASN 26 -15.935 7.940 3.370 176 HD21 ASN 26 1HD2 ASN 26 -16.420 5.079 4.293 177 HD22 ASN 26 2HD2 ASN 26 -18.142 4.969 4.391 178 H GLY 27 H GLY 27 -14.784 5.919 -0.126 179 HA2 GLY 27 1HA GLY 27 -12.942 6.508 -1.540 180 HA3 GLY 27 2HA GLY 27 -12.652 7.907 -0.517 181 H ARG 28 H ARG 28 -13.129 4.508 0.383 182 HA ARG 28 HA ARG 28 -10.383 4.495 1.449 183 HB2 ARG 28 1HB ARG 28 -12.869 3.355 2.737 184 HB3 ARG 28 2HB ARG 28 -11.232 3.078 3.316 185 HG2 ARG 28 1HG ARG 28 -10.954 5.419 3.798 186 HG3 ARG 28 2HG ARG 28 -12.525 5.786 3.085 187 HD2 ARG 28 1HD ARG 28 -13.061 5.725 5.317 188 HD3 ARG 28 2HD ARG 28 -13.393 4.058 4.846 189 HE ARG 28 HE ARG 28 -10.732 4.238 5.706 190 HH11 ARG 28 2HH1 ARG 28 -13.966 4.453 6.977 191 HH12 ARG 28 1HH1 ARG 28 -13.521 3.902 8.558 192 HH21 ARG 28 2HH2 ARG 28 -10.134 3.511 7.784 193 HH22 ARG 28 1HH2 ARG 28 -11.341 3.367 9.016 194 H PHE 29 H PHE 29 -9.389 2.392 1.610 195 HA PHE 29 HA PHE 29 -10.483 0.491 -0.356 196 HB2 PHE 29 1HB PHE 29 -7.599 0.978 0.421 197 HB3 PHE 29 2HB PHE 29 -8.150 -0.224 -0.741 198 HD1 PHE 29 1HD PHE 29 -8.946 0.432 -2.931 199 HD2 PHE 29 2HD PHE 29 -7.579 3.326 -0.126 200 HE1 PHE 29 1HE PHE 29 -8.807 2.104 -4.730 201 HE2 PHE 29 2HE PHE 29 -7.438 5.004 -1.920 202 HZ PHE 29 HZ PHE 29 -8.053 4.394 -4.226 203 H GLY 30 H GLY 30 -9.311 -1.779 0.042 204 HA2 GLY 30 1HA GLY 30 -9.503 -2.385 2.924 205 HA3 GLY 30 2HA GLY 30 -10.365 -3.356 1.739 206 H PHE 31 H PHE 31 -7.062 -2.151 2.341 207 HA PHE 31 HA PHE 31 -5.978 -4.792 2.354 208 HB2 PHE 31 1HB PHE 31 -4.771 -4.817 0.336 209 HB3 PHE 31 2HB PHE 31 -6.370 -4.243 -0.126 210 HD1 PHE 31 1HD PHE 31 -2.910 -3.166 0.599 211 HD2 PHE 31 2HD PHE 31 -6.664 -2.135 -1.121 212 HE1 PHE 31 1HE PHE 31 -1.893 -1.169 -0.416 213 HE2 PHE 31 2HE PHE 31 -5.653 -0.137 -2.140 214 HZ PHE 31 HZ PHE 31 -3.264 0.348 -1.789 215 H ASN 32 H ASN 32 -4.230 -4.781 3.612 216 HA ASN 32 HA ASN 32 -2.952 -2.195 4.173 217 HB2 ASN 32 1HB ASN 32 -3.324 -4.701 5.782 218 HB3 ASN 32 2HB ASN 32 -2.022 -3.584 6.181 219 HD21 ASN 32 1HD2 ASN 32 -3.705 -3.913 8.120 220 HD22 ASN 32 2HD2 ASN 32 -4.815 -2.598 8.277 221 H VAL 33 H VAL 33 -0.596 -2.292 4.692 222 HA VAL 33 HA VAL 33 0.818 -4.358 3.152 223 HB VAL 33 HB VAL 33 2.376 -2.599 2.304 224 HG11 VAL 33 1HG1 VAL 33 -0.076 -3.415 1.314 225 HG12 VAL 33 2HG1 VAL 33 -0.105 -1.660 1.130 226 HG13 VAL 33 3HG1 VAL 33 1.201 -2.602 0.410 227 HG21 VAL 33 1HG2 VAL 33 2.104 -0.384 2.684 228 HG22 VAL 33 2HG2 VAL 33 0.344 -0.496 2.734 229 HG23 VAL 33 3HG2 VAL 33 1.298 -0.967 4.140 230 H LYS 34 H LYS 34 3.156 -4.433 3.643 231 HA LYS 34 HA LYS 34 4.014 -3.209 6.126 232 HB2 LYS 34 1HB LYS 34 4.447 -5.247 7.307 233 HB3 LYS 34 2HB LYS 34 2.764 -5.275 6.797 234 HG2 LYS 34 1HG LYS 34 3.515 -6.654 4.821 235 HG3 LYS 34 2HG LYS 34 5.076 -6.798 5.632 236 HD2 LYS 34 1HD LYS 34 4.024 -7.850 7.542 237 HD3 LYS 34 2HD LYS 34 2.428 -7.616 6.827 238 HE2 LYS 34 1HE LYS 34 2.964 -9.853 6.376 239 HE3 LYS 34 2HE LYS 34 3.287 -9.000 4.867 240 HZ1 LYS 34 1HZ LYS 34 5.259 -9.952 6.864 241 HZ2 LYS 34 2HZ LYS 34 5.658 -8.879 5.619 242 HZ3 LYS 34 3HZ LYS 34 5.103 -10.434 5.249 243 H GLY 35 H GLY 35 6.194 -2.956 6.229 244 HA2 GLY 35 1HA GLY 35 8.428 -3.807 5.723 245 HA3 GLY 35 2HA GLY 35 7.799 -4.337 4.170 246 H GLY 36 H GLY 36 9.845 -3.077 3.588 247 HA2 GLY 36 1HA GLY 36 9.656 -1.108 1.949 248 HA3 GLY 36 2HA GLY 36 9.269 -0.194 3.399 249 H TYR 37 H TYR 37 11.306 0.770 2.052 250 HA TYR 37 HA TYR 37 13.843 -0.288 2.380 251 HB2 TYR 37 1HB TYR 37 13.329 1.704 1.011 252 HB3 TYR 37 2HB TYR 37 13.069 2.636 2.482 253 HD1 TYR 37 2HD TYR 37 15.622 0.830 0.504 254 HD2 TYR 37 1HD TYR 37 14.890 3.574 3.671 255 HE1 TYR 37 2HE TYR 37 18.016 1.392 0.562 256 HE2 TYR 37 1HE TYR 37 17.282 4.145 3.738 257 HH TYR 37 HH TYR 37 19.491 2.900 3.051 258 H ASP 38 H ASP 38 11.823 1.425 4.670 259 HA ASP 38 HA ASP 38 13.677 2.115 6.611 260 HB2 ASP 38 1HB ASP 38 11.235 2.707 6.598 261 HB3 ASP 38 2HB ASP 38 10.893 1.073 7.162 262 H GLN 39 H GLN 39 12.236 -1.000 5.897 263 HA GLN 39 HA GLN 39 13.911 -2.197 8.005 264 HB2 GLN 39 1HB GLN 39 11.187 -2.978 6.991 265 HB3 GLN 39 2HB GLN 39 12.211 -4.117 7.856 266 HG2 GLN 39 1HG GLN 39 12.301 -2.482 9.740 267 HG3 GLN 39 2HG GLN 39 11.101 -1.518 8.882 268 HE21 GLN 39 1HE2 GLN 39 9.610 -1.761 10.549 269 HE22 GLN 39 2HE2 GLN 39 8.769 -3.246 10.818 270 H LYS 40 H LYS 40 14.617 -1.582 5.222 271 HA LYS 40 HA LYS 40 15.360 -2.595 3.281 272 HB2 LYS 40 1HB LYS 40 16.616 -4.235 5.487 273 HB3 LYS 40 2HB LYS 40 17.149 -4.263 3.812 274 HG2 LYS 40 1HG LYS 40 18.626 -2.776 4.744 275 HG3 LYS 40 2HG LYS 40 17.379 -1.690 4.126 276 HD2 LYS 40 1HD LYS 40 17.753 -0.894 6.279 277 HD3 LYS 40 2HD LYS 40 16.333 -1.923 6.476 278 HE2 LYS 40 1HE LYS 40 17.734 -2.498 8.263 279 HE3 LYS 40 2HE LYS 40 17.977 -3.780 7.078 280 HZ1 LYS 40 1HZ LYS 40 19.760 -1.428 7.409 281 HZ2 LYS 40 2HZ LYS 40 20.010 -2.741 6.373 282 HZ3 LYS 40 3HZ LYS 40 20.064 -2.965 8.049 283 H MET 41 H MET 41 12.782 -3.513 3.805 284 HA MET 41 HA MET 41 12.969 -6.231 2.719 285 HB2 MET 41 1HB MET 41 11.347 -7.119 4.167 286 HB3 MET 41 2HB MET 41 12.410 -6.194 5.219 287 HG2 MET 41 1HG MET 41 10.845 -4.452 5.442 288 HG3 MET 41 2HG MET 41 9.870 -5.055 4.104 289 HE1 MET 41 1HE MET 41 8.603 -8.193 4.981 290 HE2 MET 41 2HE MET 41 7.356 -6.986 5.298 291 HE3 MET 41 3HE MET 41 8.506 -6.742 3.982 292 HA PRO 42 HA PRO 42 10.077 -4.815 -0.267 293 HB2 PRO 42 1HB PRO 42 8.800 -7.132 -0.874 294 HB3 PRO 42 2HB PRO 42 10.457 -6.786 -1.383 295 HG2 PRO 42 1HG PRO 42 9.488 -8.431 0.923 296 HG3 PRO 42 2HG PRO 42 10.795 -8.774 -0.226 297 HD2 PRO 42 1HD PRO 42 11.258 -7.814 2.264 298 HD3 PRO 42 2HD PRO 42 12.293 -7.413 0.878 299 H VAL 43 H VAL 43 8.037 -4.007 -0.379 300 HA VAL 43 HA VAL 43 6.373 -4.232 1.962 301 HB VAL 43 HB VAL 43 5.792 -2.763 -0.613 302 HG11 VAL 43 1HG1 VAL 43 4.342 -1.386 0.889 303 HG12 VAL 43 2HG1 VAL 43 3.798 -3.051 0.672 304 HG13 VAL 43 3HG1 VAL 43 4.623 -2.578 2.158 305 HG21 VAL 43 1HG2 VAL 43 6.863 -1.492 1.879 306 HG22 VAL 43 2HG2 VAL 43 7.953 -2.179 0.675 307 HG23 VAL 43 3HG2 VAL 43 6.856 -0.873 0.228 308 H ILE 44 H ILE 44 5.165 -6.003 2.198 309 HA ILE 44 HA ILE 44 3.686 -7.001 -0.148 310 HB ILE 44 HB ILE 44 4.642 -8.525 2.277 311 HG12 ILE 44 1HG1 ILE 44 5.676 -9.875 0.248 312 HG13 ILE 44 2HG1 ILE 44 5.513 -8.328 -0.575 313 HG21 ILE 44 1HG2 ILE 44 2.643 -9.175 0.181 314 HG22 ILE 44 2HG2 ILE 44 3.724 -10.459 0.719 315 HG23 ILE 44 3HG2 ILE 44 2.689 -9.633 1.883 316 HD11 ILE 44 1HD1 ILE 44 7.324 -7.541 0.419 317 HD12 ILE 44 2HD1 ILE 44 6.716 -7.986 2.014 318 HD13 ILE 44 3HD1 ILE 44 7.605 -9.164 1.049 319 H VAL 45 H VAL 45 1.522 -7.610 0.116 320 HA VAL 45 HA VAL 45 -0.080 -5.995 1.683 321 HB VAL 45 HB VAL 45 -0.693 -8.713 0.523 322 HG11 VAL 45 1HG1 VAL 45 -2.235 -8.295 2.335 323 HG12 VAL 45 2HG1 VAL 45 -2.569 -6.675 1.719 324 HG13 VAL 45 3HG1 VAL 45 -3.069 -8.093 0.795 325 HG21 VAL 45 1HG2 VAL 45 -0.090 -6.861 -1.043 326 HG22 VAL 45 2HG2 VAL 45 -1.711 -7.515 -1.279 327 HG23 VAL 45 3HG2 VAL 45 -1.493 -5.974 -0.448 328 H SER 46 H SER 46 -0.539 -5.938 3.777 329 HA SER 46 HA SER 46 0.443 -7.974 5.550 330 HB2 SER 46 1HB SER 46 0.599 -5.719 6.327 331 HB3 SER 46 2HB SER 46 -1.110 -5.422 6.008 332 HG SER 46 HG SER 46 -0.159 -7.325 7.883 333 H ARG 47 H ARG 47 -2.810 -6.537 5.253 334 HA ARG 47 HA ARG 47 -3.979 -9.209 5.431 335 HB2 ARG 47 1HB ARG 47 -3.842 -8.353 7.747 336 HB3 ARG 47 2HB ARG 47 -4.771 -6.940 7.266 337 HG2 ARG 47 1HG ARG 47 -6.288 -8.397 8.318 338 HG3 ARG 47 2HG ARG 47 -6.608 -8.530 6.588 339 HD2 ARG 47 1HD ARG 47 -6.622 -10.734 7.497 340 HD3 ARG 47 2HD ARG 47 -5.143 -10.553 6.555 341 HE ARG 47 HE ARG 47 -3.944 -10.883 8.467 342 HH11 ARG 47 2HH1 ARG 47 -7.194 -9.979 9.327 343 HH12 ARG 47 1HH1 ARG 47 -6.958 -10.242 11.023 344 HH21 ARG 47 2HH2 ARG 47 -3.620 -11.233 10.698 345 HH22 ARG 47 1HH2 ARG 47 -4.925 -10.954 11.802 346 H VAL 48 H VAL 48 -6.194 -9.305 4.750 347 HA VAL 48 HA VAL 48 -7.185 -6.920 3.354 348 HB VAL 48 HB VAL 48 -7.015 -9.677 2.129 349 HG11 VAL 48 1HG1 VAL 48 -8.968 -8.910 1.218 350 HG12 VAL 48 2HG1 VAL 48 -8.505 -7.214 1.377 351 HG13 VAL 48 3HG1 VAL 48 -7.810 -8.203 0.092 352 HG21 VAL 48 1HG2 VAL 48 -5.387 -7.223 1.895 353 HG22 VAL 48 2HG2 VAL 48 -4.929 -8.913 1.688 354 HG23 VAL 48 3HG2 VAL 48 -5.764 -8.061 0.390 355 H ALA 49 H ALA 49 -9.103 -6.490 4.212 356 HA ALA 49 HA ALA 49 -10.686 -8.503 5.512 357 HB1 ALA 49 1HB ALA 49 -12.230 -6.690 6.007 358 HB2 ALA 49 2HB ALA 49 -10.572 -6.213 6.374 359 HB3 ALA 49 3HB ALA 49 -11.354 -5.625 4.907 360 HA PRO 50 HA PRO 50 -13.245 -9.748 2.162 361 HB2 PRO 50 1HB PRO 50 -15.516 -10.387 3.506 362 HB3 PRO 50 2HB PRO 50 -14.054 -11.378 3.565 363 HG2 PRO 50 1HG PRO 50 -15.058 -9.365 5.539 364 HG3 PRO 50 2HG PRO 50 -14.357 -10.966 5.833 365 HD2 PRO 50 1HD PRO 50 -12.933 -8.679 6.107 366 HD3 PRO 50 2HD PRO 50 -12.196 -10.205 5.577 367 H GLY 51 H GLY 51 -15.253 -9.250 1.030 368 HA2 GLY 51 1HA GLY 51 -16.658 -7.708 0.065 369 HA3 GLY 51 2HA GLY 51 -17.118 -7.333 1.719 370 H THR 52 H THR 52 -14.237 -6.773 -0.310 371 HA THR 52 HA THR 52 -14.498 -3.902 0.259 372 HB THR 52 HB THR 52 -11.885 -3.939 0.296 373 HG1 THR 52 1HG THR 52 -12.586 -6.615 0.957 374 HG21 THR 52 1HG2 THR 52 -12.252 -3.333 2.408 375 HG22 THR 52 2HG2 THR 52 -12.571 -5.007 2.862 376 HG23 THR 52 3HG2 THR 52 -13.886 -3.983 2.286 377 HA PRO 53 HA PRO 53 -13.699 -3.266 -4.010 378 HB2 PRO 53 1HB PRO 53 -12.322 -0.926 -3.970 379 HB3 PRO 53 2HB PRO 53 -14.054 -1.028 -3.631 380 HG2 PRO 53 1HG PRO 53 -11.757 -0.853 -1.719 381 HG3 PRO 53 2HG PRO 53 -13.316 -0.011 -1.673 382 HD2 PRO 53 1HD PRO 53 -12.795 -2.194 -0.159 383 HD3 PRO 53 2HD PRO 53 -14.416 -1.832 -0.785 384 H ALA 54 H ALA 54 -11.282 -4.090 -1.888 385 HA ALA 54 HA ALA 54 -9.173 -3.967 -3.933 386 HB1 ALA 54 1HB ALA 54 -8.074 -3.112 -2.169 387 HB2 ALA 54 2HB ALA 54 -9.178 -3.833 -0.998 388 HB3 ALA 54 3HB ALA 54 -7.885 -4.803 -1.704 389 H ASP 55 H ASP 55 -11.359 -6.081 -2.449 390 HA ASP 55 HA ASP 55 -9.722 -8.439 -3.067 391 HB2 ASP 55 1HB ASP 55 -10.918 -8.100 -0.798 392 HB3 ASP 55 2HB ASP 55 -12.388 -8.511 -1.677 393 H LEU 56 H LEU 56 -13.077 -7.295 -3.464 394 HA LEU 56 HA LEU 56 -13.884 -9.251 -5.288 395 HB2 LEU 56 1HB LEU 56 -14.864 -6.406 -5.223 396 HB3 LEU 56 2HB LEU 56 -15.733 -7.826 -5.802 397 HG LEU 56 HG LEU 56 -14.904 -7.586 -2.929 398 HD11 LEU 56 1HD1 LEU 56 -17.188 -6.257 -4.322 399 HD12 LEU 56 2HD1 LEU 56 -16.121 -5.629 -3.067 400 HD13 LEU 56 3HD1 LEU 56 -17.364 -6.811 -2.657 401 HD21 LEU 56 1HD2 LEU 56 -15.945 -9.656 -4.306 402 HD22 LEU 56 2HD2 LEU 56 -17.424 -8.857 -3.774 403 HD23 LEU 56 3HD2 LEU 56 -16.227 -9.379 -2.588 404 H CYS 57 H CYS 57 -11.788 -6.584 -5.694 405 HA CYS 57 HA CYS 57 -12.182 -6.064 -8.444 406 HB2 CYS 57 1HB CYS 57 -10.063 -4.898 -8.356 407 HB3 CYS 57 2HB CYS 57 -10.970 -4.549 -6.889 408 HG CYS 57 HG CYS 57 -7.940 -5.312 -6.972 409 H VAL 58 H VAL 58 -11.029 -6.762 -10.256 410 HA VAL 58 HA VAL 58 -9.622 -9.328 -9.896 411 HB VAL 58 HB VAL 58 -11.249 -8.380 -12.259 412 HG11 VAL 58 1HG1 VAL 58 -10.362 -9.990 -13.526 413 HG12 VAL 58 2HG1 VAL 58 -9.070 -10.062 -12.326 414 HG13 VAL 58 3HG1 VAL 58 -10.436 -11.174 -12.221 415 HG21 VAL 58 1HG2 VAL 58 -12.688 -10.312 -11.683 416 HG22 VAL 58 2HG2 VAL 58 -11.722 -10.561 -10.229 417 HG23 VAL 58 3HG2 VAL 58 -12.653 -9.077 -10.425 418 HA PRO 59 HA PRO 59 -8.139 -10.548 -10.440 419 HB2 PRO 59 1HB PRO 59 -5.609 -10.645 -9.460 420 HB3 PRO 59 2HB PRO 59 -6.004 -11.032 -11.139 421 HG2 PRO 59 1HG PRO 59 -4.912 -8.494 -9.986 422 HG3 PRO 59 2HG PRO 59 -4.439 -9.344 -11.469 423 HD2 PRO 59 1HD PRO 59 -6.060 -7.175 -11.486 424 HD3 PRO 59 2HD PRO 59 -6.207 -8.486 -12.674 425 H ARG 60 H ARG 60 -7.946 -11.326 -8.224 426 HA ARG 60 HA ARG 60 -8.741 -9.312 -6.334 427 HB2 ARG 60 1HB ARG 60 -9.877 -11.416 -6.232 428 HB3 ARG 60 2HB ARG 60 -8.359 -12.297 -6.114 429 HG2 ARG 60 1HG ARG 60 -8.068 -10.877 -3.929 430 HG3 ARG 60 2HG ARG 60 -9.825 -10.755 -4.037 431 HD2 ARG 60 1HD ARG 60 -10.135 -13.017 -3.730 432 HD3 ARG 60 2HD ARG 60 -8.528 -13.424 -4.330 433 HE ARG 60 HE ARG 60 -8.315 -11.950 -1.934 434 HH11 ARG 60 2HH1 ARG 60 -9.229 -15.092 -3.122 435 HH12 ARG 60 1HH1 ARG 60 -8.811 -15.913 -1.654 436 HH21 ARG 60 2HH2 ARG 60 -7.762 -13.018 0.004 437 HH22 ARG 60 1HH2 ARG 60 -7.978 -14.732 0.123 438 H LEU 61 H LEU 61 -7.577 -8.417 -4.729 439 HA LEU 61 HA LEU 61 -4.719 -8.961 -4.677 440 HB2 LEU 61 1HB LEU 61 -5.506 -6.648 -4.801 441 HB3 LEU 61 2HB LEU 61 -6.352 -6.853 -3.268 442 HG LEU 61 HG LEU 61 -3.999 -7.369 -2.315 443 HD11 LEU 61 1HD1 LEU 61 -3.378 -6.206 -4.997 444 HD12 LEU 61 2HD1 LEU 61 -2.613 -7.552 -4.154 445 HD13 LEU 61 3HD1 LEU 61 -2.315 -5.897 -3.625 446 HD21 LEU 61 1HD2 LEU 61 -5.558 -5.221 -2.214 447 HD22 LEU 61 2HD2 LEU 61 -4.213 -4.520 -3.114 448 HD23 LEU 61 3HD2 LEU 61 -3.933 -5.236 -1.526 449 H ASN 62 H ASN 62 -4.320 -10.777 -3.520 450 HA ASN 62 HA ASN 62 -5.461 -10.957 -0.814 451 HB2 ASN 62 1HB ASN 62 -4.688 -13.382 -0.978 452 HB3 ASN 62 2HB ASN 62 -6.029 -12.916 -2.021 453 HD21 ASN 62 1HD2 ASN 62 -5.806 -13.037 -4.188 454 HD22 ASN 62 2HD2 ASN 62 -4.385 -13.613 -4.985 455 H GLU 63 H GLU 63 -4.047 -11.809 0.884 456 HA GLU 63 HA GLU 63 -1.737 -10.339 1.229 457 HB2 GLU 63 1HB GLU 63 -2.474 -12.994 2.470 458 HB3 GLU 63 2HB GLU 63 -1.179 -11.953 3.043 459 HG2 GLU 63 1HG GLU 63 -2.833 -11.312 4.456 460 HG3 GLU 63 2HG GLU 63 -3.118 -10.172 3.142 461 H GLY 64 H GLY 64 0.342 -10.528 0.637 462 HA2 GLY 64 1HA GLY 64 2.218 -12.133 0.272 463 HA3 GLY 64 2HA GLY 64 1.116 -12.999 -0.789 464 H ASP 65 H ASP 65 -0.023 -10.878 -2.176 465 HA ASP 65 HA ASP 65 1.682 -10.500 -4.290 466 HB2 ASP 65 1HB ASP 65 -0.474 -8.581 -3.379 467 HB3 ASP 65 2HB ASP 65 0.216 -8.665 -4.998 468 H GLN 66 H GLN 66 3.722 -9.795 -4.024 469 HA GLN 66 HA GLN 66 4.447 -7.717 -2.213 470 HB2 GLN 66 1HB GLN 66 6.033 -9.465 -2.794 471 HB3 GLN 66 2HB GLN 66 5.981 -8.988 -4.485 472 HG2 GLN 66 1HG GLN 66 6.756 -6.673 -3.518 473 HG3 GLN 66 2HG GLN 66 7.320 -7.674 -2.182 474 HE21 GLN 66 1HE2 GLN 66 8.383 -6.196 -4.796 475 HE22 GLN 66 2HE2 GLN 66 9.625 -7.279 -5.315 476 H VAL 67 H VAL 67 4.183 -5.613 -2.494 477 HA VAL 67 HA VAL 67 3.418 -4.525 -5.041 478 HB VAL 67 HB VAL 67 4.088 -3.002 -2.522 479 HG11 VAL 67 1HG1 VAL 67 2.470 -2.316 -4.971 480 HG12 VAL 67 2HG1 VAL 67 2.510 -1.341 -3.500 481 HG13 VAL 67 3HG1 VAL 67 3.981 -1.574 -4.445 482 HG21 VAL 67 1HG2 VAL 67 2.012 -4.872 -2.928 483 HG22 VAL 67 2HG2 VAL 67 2.239 -3.776 -1.565 484 HG23 VAL 67 3HG2 VAL 67 1.279 -3.268 -2.955 485 H VAL 68 H VAL 68 4.814 -4.002 -6.578 486 HA VAL 68 HA VAL 68 7.588 -3.402 -5.876 487 HB VAL 68 HB VAL 68 6.348 -3.841 -8.596 488 HG11 VAL 68 1HG1 VAL 68 8.307 -3.316 -9.524 489 HG12 VAL 68 2HG1 VAL 68 8.731 -2.593 -7.971 490 HG13 VAL 68 3HG1 VAL 68 9.210 -4.251 -8.334 491 HG21 VAL 68 1HG2 VAL 68 7.522 -5.670 -6.581 492 HG22 VAL 68 2HG2 VAL 68 6.237 -5.953 -7.756 493 HG23 VAL 68 3HG2 VAL 68 7.923 -5.963 -8.273 494 H LEU 69 H LEU 69 5.045 -2.061 -7.989 495 HA LEU 69 HA LEU 69 6.000 0.627 -7.335 496 HB2 LEU 69 1HB LEU 69 5.399 -0.227 -10.158 497 HB3 LEU 69 2HB LEU 69 6.012 1.335 -9.620 498 HG LEU 69 HG LEU 69 7.597 -1.188 -9.245 499 HD11 LEU 69 1HD1 LEU 69 7.855 -1.373 -11.441 500 HD12 LEU 69 2HD1 LEU 69 8.657 0.197 -11.421 501 HD13 LEU 69 3HD1 LEU 69 6.924 0.097 -11.733 502 HD21 LEU 69 1HD2 LEU 69 9.406 0.222 -8.884 503 HD22 LEU 69 2HD2 LEU 69 8.081 1.065 -8.082 504 HD23 LEU 69 3HD2 LEU 69 8.625 1.592 -9.675 505 H ILE 70 H ILE 70 4.420 2.166 -7.236 506 HA ILE 70 HA ILE 70 1.670 1.183 -7.480 507 HB ILE 70 HB ILE 70 2.706 3.668 -6.109 508 HG12 ILE 70 1HG1 ILE 70 1.583 1.188 -4.811 509 HG13 ILE 70 2HG1 ILE 70 3.304 1.383 -5.123 510 HG21 ILE 70 1HG2 ILE 70 0.571 4.204 -5.506 511 HG22 ILE 70 2HG2 ILE 70 0.258 3.465 -7.076 512 HG23 ILE 70 3HG2 ILE 70 0.007 2.536 -5.599 513 HD11 ILE 70 1HD1 ILE 70 1.572 2.703 -3.130 514 HD12 ILE 70 2HD1 ILE 70 3.248 2.167 -3.008 515 HD13 ILE 70 3HD1 ILE 70 2.862 3.672 -3.843 516 H ASN 71 H ASN 71 0.439 1.784 -9.129 517 HA ASN 71 HA ASN 71 -0.140 2.763 -11.119 518 HB2 ASN 71 1HB ASN 71 -0.719 5.105 -10.909 519 HB3 ASN 71 2HB ASN 71 -1.097 4.286 -9.397 520 HD21 ASN 71 1HD2 ASN 71 -0.771 5.676 -7.818 521 HD22 ASN 71 2HD2 ASN 71 0.626 6.673 -7.617 522 H GLY 72 H GLY 72 2.654 2.122 -10.943 523 HA2 GLY 72 1HA GLY 72 4.446 2.392 -12.381 524 HA3 GLY 72 2HA GLY 72 3.597 3.737 -13.127 525 H ARG 73 H ARG 73 4.606 3.259 -9.756 526 HA ARG 73 HA ARG 73 6.474 5.504 -10.048 527 HB2 ARG 73 1HB ARG 73 4.122 6.071 -9.035 528 HB3 ARG 73 2HB ARG 73 4.775 5.310 -7.590 529 HG2 ARG 73 1HG ARG 73 5.237 7.555 -7.268 530 HG3 ARG 73 2HG ARG 73 6.759 6.919 -7.897 531 HD2 ARG 73 1HD ARG 73 4.718 8.042 -9.770 532 HD3 ARG 73 2HD ARG 73 5.770 9.128 -8.863 533 HE ARG 73 HE ARG 73 6.480 7.591 -11.135 534 HH11 ARG 73 2HH1 ARG 73 7.717 8.733 -8.088 535 HH12 ARG 73 1HH1 ARG 73 9.370 8.724 -8.606 536 HH21 ARG 73 2HH2 ARG 73 8.653 7.575 -11.830 537 HH22 ARG 73 1HH2 ARG 73 9.901 8.066 -10.736 538 H ASP 74 H ASP 74 8.266 5.443 -8.711 539 HA ASP 74 HA ASP 74 8.907 2.838 -7.637 540 HB2 ASP 74 1HB ASP 74 10.668 5.270 -7.443 541 HB3 ASP 74 2HB ASP 74 11.138 3.575 -7.535 542 H ILE 75 H ILE 75 8.225 2.312 -5.671 543 HA ILE 75 HA ILE 75 8.474 4.319 -3.529 544 HB ILE 75 HB ILE 75 6.508 3.308 -2.427 545 HG12 ILE 75 1HG1 ILE 75 5.026 2.004 -4.211 546 HG13 ILE 75 2HG1 ILE 75 6.608 1.580 -4.857 547 HG21 ILE 75 1HG2 ILE 75 6.106 5.305 -3.626 548 HG22 ILE 75 2HG2 ILE 75 6.148 4.468 -5.177 549 HG23 ILE 75 3HG2 ILE 75 4.805 4.199 -4.067 550 HD11 ILE 75 1HD1 ILE 75 5.383 0.087 -3.066 551 HD12 ILE 75 2HD1 ILE 75 7.137 0.277 -3.073 552 HD13 ILE 75 3HD1 ILE 75 6.152 1.216 -1.951 553 H ALA 76 H ALA 76 10.370 2.286 -4.357 554 HA ALA 76 HA ALA 76 10.220 0.228 -2.308 555 HB1 ALA 76 1HB ALA 76 12.720 0.218 -3.687 556 HB2 ALA 76 2HB ALA 76 11.408 -0.959 -3.756 557 HB3 ALA 76 3HB ALA 76 11.413 0.420 -4.855 558 H GLU 77 H GLU 77 12.223 3.026 -3.140 559 HA GLU 77 HA GLU 77 14.022 2.682 -0.949 560 HB2 GLU 77 1HB GLU 77 13.480 4.949 -2.855 561 HB3 GLU 77 2HB GLU 77 14.623 5.110 -1.529 562 HG2 GLU 77 1HG GLU 77 16.070 3.511 -2.426 563 HG3 GLU 77 2HG GLU 77 14.836 2.878 -3.515 564 H HIS 78 H HIS 78 10.997 4.347 -1.433 565 HA HIS 78 HA HIS 78 11.115 6.068 0.803 566 HB2 HIS 78 1HB HIS 78 8.800 4.920 -0.756 567 HB3 HIS 78 2HB HIS 78 8.580 6.055 0.573 568 HD1 HIS 78 1HD HIS 78 9.558 8.488 0.202 569 HD2 HIS 78 2HD HIS 78 9.521 6.047 -3.160 570 HE1 HIS 78 1HE HIS 78 9.891 10.033 -1.754 571 HE2 HIS 78 2HE HIS 78 9.780 8.544 -3.783 572 H THR 79 H THR 79 10.335 5.855 2.884 573 HA THR 79 HA THR 79 10.394 3.192 3.964 574 HB THR 79 HB THR 79 10.025 4.313 6.153 575 HG1 THR 79 1HG THR 79 8.884 6.157 4.910 576 HG21 THR 79 1HG2 THR 79 12.233 4.620 6.242 577 HG22 THR 79 2HG2 THR 79 12.128 6.041 5.202 578 HG23 THR 79 3HG2 THR 79 12.271 4.434 4.489 579 H HIS 80 H HIS 80 8.731 2.186 5.178 580 HA HIS 80 HA HIS 80 6.306 1.867 4.089 581 HB2 HIS 80 1HB HIS 80 6.890 0.461 5.906 582 HB3 HIS 80 2HB HIS 80 7.047 1.824 7.010 583 HD1 HIS 80 1HD HIS 80 4.526 -0.450 5.470 584 HD2 HIS 80 2HD HIS 80 4.630 2.780 8.080 585 HE1 HIS 80 1HE HIS 80 2.243 -0.360 6.519 586 HE2 HIS 80 2HE HIS 80 2.302 1.653 8.031 587 H ASP 81 H ASP 81 6.802 4.111 6.821 588 HA ASP 81 HA ASP 81 4.390 5.275 7.059 589 HB2 ASP 81 1HB ASP 81 6.990 6.820 6.955 590 HB3 ASP 81 2HB ASP 81 5.502 7.344 7.739 591 H GLN 82 H GLN 82 6.849 6.590 4.828 592 HA GLN 82 HA GLN 82 5.306 8.463 3.548 593 HB2 GLN 82 1HB GLN 82 7.830 7.726 3.256 594 HB3 GLN 82 2HB GLN 82 7.177 6.829 1.892 595 HG2 GLN 82 1HG GLN 82 6.759 9.778 2.298 596 HG3 GLN 82 2HG GLN 82 8.079 9.094 1.350 597 HE21 GLN 82 1HE2 GLN 82 5.851 10.823 0.550 598 HE22 GLN 82 2HE2 GLN 82 5.033 9.980 -0.718 599 H VAL 83 H VAL 83 5.993 5.271 2.110 600 HA VAL 83 HA VAL 83 4.298 5.206 0.036 601 HB VAL 83 HB VAL 83 4.583 2.931 2.006 602 HG11 VAL 83 1HG1 VAL 83 2.746 2.886 0.180 603 HG12 VAL 83 2HG1 VAL 83 4.093 2.632 -0.931 604 HG13 VAL 83 3HG1 VAL 83 3.797 1.484 0.375 605 HG21 VAL 83 1HG2 VAL 83 6.289 3.865 -0.281 606 HG22 VAL 83 2HG2 VAL 83 6.766 3.516 1.380 607 HG23 VAL 83 3HG2 VAL 83 6.334 2.198 0.292 608 H VAL 84 H VAL 84 3.236 3.938 3.200 609 HA VAL 84 HA VAL 84 0.623 3.518 2.828 610 HB VAL 84 HB VAL 84 1.731 5.040 5.192 611 HG11 VAL 84 1HG1 VAL 84 -0.256 4.874 6.206 612 HG12 VAL 84 2HG1 VAL 84 -0.906 4.603 4.588 613 HG13 VAL 84 3HG1 VAL 84 -0.517 3.230 5.625 614 HG21 VAL 84 1HG2 VAL 84 1.882 2.229 4.344 615 HG22 VAL 84 2HG2 VAL 84 2.930 3.147 5.426 616 HG23 VAL 84 3HG2 VAL 84 1.411 2.482 6.025 617 H LEU 85 H LEU 85 1.995 6.738 3.467 618 HA LEU 85 HA LEU 85 -0.491 8.099 3.229 619 HB2 LEU 85 1HB LEU 85 2.368 8.870 3.420 620 HB3 LEU 85 2HB LEU 85 1.243 10.066 2.780 621 HG LEU 85 HG LEU 85 -0.107 9.710 4.907 622 HD11 LEU 85 1HD1 LEU 85 2.380 8.174 5.561 623 HD12 LEU 85 2HD1 LEU 85 0.694 7.725 5.816 624 HD13 LEU 85 3HD1 LEU 85 1.437 8.967 6.823 625 HD21 LEU 85 1HD2 LEU 85 2.420 10.796 5.864 626 HD22 LEU 85 2HD2 LEU 85 0.854 11.581 5.656 627 HD23 LEU 85 3HD2 LEU 85 1.952 11.424 4.284 628 H PHE 86 H PHE 86 2.187 7.474 1.007 629 HA PHE 86 HA PHE 86 1.588 9.059 -1.123 630 HB2 PHE 86 1HB PHE 86 3.375 7.137 -0.788 631 HB3 PHE 86 2HB PHE 86 2.202 6.193 -1.702 632 HD1 PHE 86 1HD PHE 86 3.568 9.663 -1.926 633 HD2 PHE 86 2HD PHE 86 2.759 5.984 -3.909 634 HE1 PHE 86 1HE PHE 86 4.455 10.601 -4.021 635 HE2 PHE 86 2HE PHE 86 3.645 6.916 -6.006 636 HZ PHE 86 HZ PHE 86 4.496 9.226 -6.064 637 H ILE 87 H ILE 87 0.301 5.756 -0.709 638 HA ILE 87 HA ILE 87 -1.468 5.771 -2.841 639 HB ILE 87 HB ILE 87 -1.878 4.384 -0.189 640 HG12 ILE 87 1HG1 ILE 87 -0.741 3.064 -2.622 641 HG13 ILE 87 2HG1 ILE 87 0.314 4.046 -1.612 642 HG21 ILE 87 1HG2 ILE 87 -3.352 2.910 -1.311 643 HG22 ILE 87 2HG2 ILE 87 -3.849 4.542 -1.754 644 HG23 ILE 87 3HG2 ILE 87 -2.919 3.565 -2.890 645 HD11 ILE 87 1HD1 ILE 87 0.023 2.636 0.239 646 HD12 ILE 87 2HD1 ILE 87 -1.364 1.828 -0.493 647 HD13 ILE 87 3HD1 ILE 87 0.254 1.563 -1.142 648 H LYS 88 H LYS 88 -2.133 6.615 0.555 649 HA LYS 88 HA LYS 88 -4.803 7.219 0.402 650 HB2 LYS 88 1HB LYS 88 -2.552 8.258 2.055 651 HB3 LYS 88 2HB LYS 88 -4.084 9.119 2.120 652 HG2 LYS 88 1HG LYS 88 -5.214 7.286 3.017 653 HG3 LYS 88 2HG LYS 88 -3.945 6.156 2.538 654 HD2 LYS 88 1HD LYS 88 -2.484 7.674 4.135 655 HD3 LYS 88 2HD LYS 88 -4.059 8.026 4.851 656 HE2 LYS 88 1HE LYS 88 -2.997 5.243 4.385 657 HE3 LYS 88 2HE LYS 88 -2.832 6.119 5.907 658 HZ1 LYS 88 1HZ LYS 88 -5.427 5.496 4.606 659 HZ2 LYS 88 2HZ LYS 88 -5.201 6.191 6.132 660 HZ3 LYS 88 3HZ LYS 88 -4.743 4.585 5.857 661 H ALA 89 H ALA 89 -2.087 9.401 -0.310 662 HA ALA 89 HA ALA 89 -3.386 11.742 -0.836 663 HB1 ALA 89 1HB ALA 89 -1.249 12.215 -1.241 664 HB2 ALA 89 2HB ALA 89 -0.876 10.538 -1.642 665 HB3 ALA 89 3HB ALA 89 -1.521 11.618 -2.879 666 H SER 90 H SER 90 -2.960 9.025 -3.086 667 HA SER 90 HA SER 90 -3.941 9.957 -5.414 668 HB2 SER 90 1HB SER 90 -3.282 7.627 -5.131 669 HB3 SER 90 2HB SER 90 -4.694 7.325 -4.119 670 HG SER 90 HG SER 90 -5.993 7.473 -5.856 671 H CYS 91 H CYS 91 -6.020 8.702 -2.802 672 HA CYS 91 HA CYS 91 -8.497 9.043 -3.816 673 HB2 CYS 91 1HB CYS 91 -8.151 8.221 -1.562 674 HB3 CYS 91 2HB CYS 91 -7.575 9.799 -1.037 675 HG CYS 91 HG CYS 91 -9.866 10.746 -0.376 676 H GLU 92 H GLU 92 -6.487 11.626 -2.448 677 HA GLU 92 HA GLU 92 -8.416 13.679 -2.828 678 HB2 GLU 92 1HB GLU 92 -5.475 13.634 -2.240 679 HB3 GLU 92 2HB GLU 92 -6.270 15.151 -2.639 680 HG2 GLU 92 1HG GLU 92 -7.765 14.913 -0.766 681 HG3 GLU 92 2HG GLU 92 -7.101 13.321 -0.400 682 H ARG 93 H ARG 93 -5.362 13.012 -4.552 683 HA ARG 93 HA ARG 93 -5.781 14.856 -6.619 684 HB2 ARG 93 1HB ARG 93 -4.189 12.286 -6.709 685 HB3 ARG 93 2HB ARG 93 -4.036 13.632 -7.829 686 HG2 ARG 93 1HG ARG 93 -3.174 15.053 -6.113 687 HG3 ARG 93 2HG ARG 93 -3.516 13.843 -4.874 688 HD2 ARG 93 1HD ARG 93 -1.292 13.442 -5.195 689 HD3 ARG 93 2HD ARG 93 -1.966 12.352 -6.406 690 HE ARG 93 HE ARG 93 -1.535 14.842 -7.605 691 HH11 ARG 93 2HH1 ARG 93 0.283 12.206 -6.239 692 HH12 ARG 93 1HH1 ARG 93 1.669 12.469 -7.245 693 HH21 ARG 93 2HH2 ARG 93 0.283 15.198 -8.935 694 HH22 ARG 93 1HH2 ARG 93 1.668 14.172 -8.777 695 H HIS 94 H HIS 94 -7.217 14.868 -8.207 696 HA HIS 94 HA HIS 94 -8.717 12.452 -8.819 697 HB2 HIS 94 1HB HIS 94 -9.092 15.218 -9.975 698 HB3 HIS 94 2HB HIS 94 -10.243 13.885 -10.004 699 HD1 HIS 94 1HD HIS 94 -10.012 13.107 -6.981 700 HD2 HIS 94 2HD HIS 94 -10.542 16.963 -8.435 701 HE1 HIS 94 1HE HIS 94 -11.058 14.400 -5.094 702 HE2 HIS 94 2HE HIS 94 -11.448 16.707 -6.026 703 H SER 95 H SER 95 -7.418 11.149 -10.041 704 HA SER 95 HA SER 95 -6.586 12.235 -12.651 705 HB2 SER 95 1HB SER 95 -4.672 10.675 -12.605 706 HB3 SER 95 2HB SER 95 -4.613 11.815 -11.262 707 HG SER 95 HG SER 95 -5.014 9.071 -11.253 708 H GLY 96 H GLY 96 -7.211 9.156 -10.954 709 HA2 GLY 96 1HA GLY 96 -9.173 8.337 -12.848 710 HA3 GLY 96 2HA GLY 96 -7.636 7.545 -13.161 711 H GLU 97 H GLU 97 -7.680 5.541 -12.404 712 HA GLU 97 HA GLU 97 -9.089 5.023 -9.874 713 HB2 GLU 97 1HB GLU 97 -8.569 3.370 -12.309 714 HB3 GLU 97 2HB GLU 97 -8.760 2.561 -10.761 715 HG2 GLU 97 1HG GLU 97 -10.853 2.661 -12.014 716 HG3 GLU 97 2HG GLU 97 -10.956 3.529 -10.484 717 H LEU 98 H LEU 98 -8.116 3.103 -8.638 718 HA LEU 98 HA LEU 98 -5.344 3.755 -8.109 719 HB2 LEU 98 1HB LEU 98 -7.282 3.255 -6.420 720 HB3 LEU 98 2HB LEU 98 -6.824 1.577 -6.704 721 HG LEU 98 HG LEU 98 -5.748 2.331 -4.707 722 HD11 LEU 98 1HD1 LEU 98 -4.467 1.071 -6.655 723 HD12 LEU 98 2HD1 LEU 98 -3.666 1.536 -5.155 724 HD13 LEU 98 3HD1 LEU 98 -3.474 2.527 -6.601 725 HD21 LEU 98 1HD2 LEU 98 -4.751 4.628 -6.385 726 HD22 LEU 98 2HD2 LEU 98 -4.145 4.238 -4.775 727 HD23 LEU 98 3HD2 LEU 98 -5.832 4.707 -4.993 728 H MET 99 H MET 99 -3.715 2.742 -9.058 729 HA MET 99 HA MET 99 -4.102 -0.052 -9.912 730 HB2 MET 99 1HB MET 99 -2.662 2.220 -11.257 731 HB3 MET 99 2HB MET 99 -2.265 0.547 -11.626 732 HG2 MET 99 1HG MET 99 -4.230 0.168 -12.707 733 HG3 MET 99 2HG MET 99 -5.115 1.351 -11.747 734 HE1 MET 99 1HE MET 99 -4.862 0.725 -15.110 735 HE2 MET 99 2HE MET 99 -3.802 1.877 -15.922 736 HE3 MET 99 3HE MET 99 -3.113 0.599 -14.920 737 H LEU 100 H LEU 100 -2.559 -1.523 -9.379 738 HA LEU 100 HA LEU 100 -0.106 -0.561 -8.089 739 HB2 LEU 100 1HB LEU 100 -1.872 -2.737 -6.980 740 HB3 LEU 100 2HB LEU 100 -0.339 -2.191 -6.303 741 HG LEU 100 HG LEU 100 -2.559 -0.223 -6.587 742 HD11 LEU 100 1HD1 LEU 100 -2.367 -2.089 -4.238 743 HD12 LEU 100 2HD1 LEU 100 -3.496 -2.332 -5.571 744 HD13 LEU 100 3HD1 LEU 100 -3.607 -0.881 -4.574 745 HD21 LEU 100 1HD2 LEU 100 -0.849 -0.452 -4.188 746 HD22 LEU 100 2HD2 LEU 100 -1.385 0.978 -5.071 747 HD23 LEU 100 3HD2 LEU 100 -0.047 0.009 -5.690 748 H LEU 101 H LEU 101 1.679 -1.647 -8.670 749 HA LEU 101 HA LEU 101 1.340 -3.948 -10.451 750 HB2 LEU 101 1HB LEU 101 2.713 -1.811 -10.988 751 HB3 LEU 101 2HB LEU 101 3.937 -2.547 -9.956 752 HG LEU 101 HG LEU 101 3.944 -4.520 -11.469 753 HD11 LEU 101 1HD1 LEU 101 2.969 -3.865 -13.818 754 HD12 LEU 101 2HD1 LEU 101 1.878 -2.879 -12.845 755 HD13 LEU 101 3HD1 LEU 101 1.953 -4.622 -12.591 756 HD21 LEU 101 1HD2 LEU 101 4.954 -1.876 -11.978 757 HD22 LEU 101 2HD2 LEU 101 4.664 -2.731 -13.494 758 HD23 LEU 101 3HD2 LEU 101 5.713 -3.442 -12.266 759 H VAL 102 H VAL 102 1.176 -5.733 -9.193 760 HA VAL 102 HA VAL 102 3.220 -6.162 -7.122 761 HB VAL 102 HB VAL 102 1.772 -7.887 -6.210 762 HG11 VAL 102 1HG1 VAL 102 -0.381 -6.099 -6.238 763 HG12 VAL 102 2HG1 VAL 102 0.915 -6.199 -5.044 764 HG13 VAL 102 3HG1 VAL 102 1.066 -5.107 -6.421 765 HG21 VAL 102 1HG2 VAL 102 0.557 -8.949 -7.793 766 HG22 VAL 102 2HG2 VAL 102 -0.664 -7.760 -7.339 767 HG23 VAL 102 3HG2 VAL 102 0.342 -7.491 -8.762 768 H ARG 103 H ARG 103 4.343 -8.145 -7.011 769 HA ARG 103 HA ARG 103 4.791 -9.353 -9.620 770 HB2 ARG 103 1HB ARG 103 6.273 -9.283 -7.027 771 HB3 ARG 103 2HB ARG 103 6.592 -10.604 -8.144 772 HG2 ARG 103 1HG ARG 103 6.653 -7.816 -9.178 773 HG3 ARG 103 2HG ARG 103 8.006 -8.398 -8.205 774 HD2 ARG 103 1HD ARG 103 6.930 -9.778 -10.662 775 HD3 ARG 103 2HD ARG 103 8.332 -8.709 -10.644 776 HE ARG 103 HE ARG 103 8.473 -10.930 -8.804 777 HH11 ARG 103 2HH1 ARG 103 9.188 -9.760 -12.004 778 HH12 ARG 103 1HH1 ARG 103 10.446 -10.917 -12.287 779 HH21 ARG 103 2HH2 ARG 103 10.128 -12.459 -9.165 780 HH22 ARG 103 1HH2 ARG 103 10.979 -12.452 -10.672 781 HA PRO 104 HA PRO 104 2.275 -12.875 -8.721 782 HB2 PRO 104 1HB PRO 104 3.177 -14.473 -10.721 783 HB3 PRO 104 2HB PRO 104 2.082 -13.114 -10.998 784 HG2 PRO 104 1HG PRO 104 5.050 -13.261 -11.366 785 HG3 PRO 104 2HG PRO 104 3.827 -12.524 -12.418 786 HD2 PRO 104 1HD PRO 104 5.361 -11.070 -10.726 787 HD3 PRO 104 2HD PRO 104 3.695 -10.613 -11.137 788 H ASN 105 H ASN 105 2.615 -14.266 -7.115 789 HA ASN 105 HA ASN 105 5.279 -15.460 -6.803 790 HB2 ASN 105 1HB ASN 105 4.713 -15.828 -4.485 791 HB3 ASN 105 2HB ASN 105 4.337 -14.156 -4.891 792 HD21 ASN 105 1HD2 ASN 105 3.220 -16.901 -3.427 793 HD22 ASN 105 2HD2 ASN 105 1.534 -16.527 -3.384 794 H ALA 106 H ALA 106 4.730 -16.966 -8.560 795 HA ALA 106 HA ALA 106 2.716 -18.755 -8.753 796 HB1 ALA 106 1HB ALA 106 4.445 -20.403 -9.596 797 HB2 ALA 106 2HB ALA 106 4.419 -18.824 -10.382 798 HB3 ALA 106 3HB ALA 106 5.659 -19.192 -9.183 799 H VAL 107 H VAL 107 1.751 -19.552 -6.948 800 HA VAL 107 HA VAL 107 3.299 -20.746 -4.818 801 HB VAL 107 HB VAL 107 1.162 -21.167 -3.730 802 HG11 VAL 107 1HG1 VAL 107 0.694 -18.980 -3.193 803 HG12 VAL 107 2HG1 VAL 107 2.287 -18.812 -3.934 804 HG13 VAL 107 3HG1 VAL 107 0.837 -18.426 -4.861 805 HG21 VAL 107 1HG2 VAL 107 -0.046 -20.192 -6.315 806 HG22 VAL 107 2HG2 VAL 107 -0.182 -21.809 -5.625 807 HG23 VAL 107 3HG2 VAL 107 -0.945 -20.439 -4.818 808 H TYR 108 H TYR 108 3.547 -22.881 -4.383 809 HA TYR 108 HA TYR 108 3.135 -24.734 -6.525 810 HB2 TYR 108 1HB TYR 108 5.007 -24.625 -4.656 811 HB3 TYR 108 2HB TYR 108 3.876 -25.651 -3.781 812 HD1 TYR 108 2HD TYR 108 5.863 -25.394 -6.898 813 HD2 TYR 108 1HD TYR 108 3.675 -27.947 -4.291 814 HE1 TYR 108 2HE TYR 108 6.707 -27.354 -8.120 815 HE2 TYR 108 1HE TYR 108 4.514 -29.915 -5.505 816 HH TYR 108 HH TYR 108 6.735 -30.344 -7.003 817 H ASP 109 H ASP 109 2.253 -27.001 -5.884 818 HA ASP 109 HA ASP 109 -0.293 -26.638 -4.444 819 HB2 ASP 109 1HB ASP 109 -1.313 -28.232 -6.035 820 HB3 ASP 109 2HB ASP 109 -0.723 -26.779 -6.836 821 H VAL 110 H VAL 110 0.898 -27.430 -2.577 822 HA VAL 110 HA VAL 110 1.330 -30.346 -2.654 823 HB VAL 110 HB VAL 110 3.389 -29.195 -2.127 824 HG11 VAL 110 1HG1 VAL 110 2.827 -28.074 0.424 825 HG12 VAL 110 2HG1 VAL 110 3.409 -27.265 -1.032 826 HG13 VAL 110 3HG1 VAL 110 1.676 -27.415 -0.738 827 HG21 VAL 110 1HG2 VAL 110 2.366 -31.247 -0.715 828 HG22 VAL 110 2HG2 VAL 110 3.991 -30.606 -0.468 829 HG23 VAL 110 3HG2 VAL 110 2.673 -30.097 0.587 830 H VAL 111 H VAL 111 0.009 -31.572 -1.483 831 HA VAL 111 HA VAL 111 -2.033 -30.352 0.142 832 HB VAL 111 HB VAL 111 -1.453 -33.268 -0.394 833 HG11 VAL 111 1HG1 VAL 111 -4.094 -33.098 0.263 834 HG12 VAL 111 2HG1 VAL 111 -2.806 -33.585 1.367 835 HG13 VAL 111 3HG1 VAL 111 -3.373 -31.915 1.354 836 HG21 VAL 111 1HG2 VAL 111 -2.927 -31.179 -1.852 837 HG22 VAL 111 2HG2 VAL 111 -2.177 -32.662 -2.442 838 HG23 VAL 111 3HG2 VAL 111 -3.766 -32.720 -1.679 839 H GLU 112 H GLU 112 -1.020 -29.483 1.940 840 HA GLU 112 HA GLU 112 -0.383 -31.387 4.022 841 HB2 GLU 112 1HB GLU 112 1.770 -30.857 2.724 842 HB3 GLU 112 2HB GLU 112 1.655 -29.253 3.432 843 HG2 GLU 112 1HG GLU 112 1.700 -31.773 5.066 844 HG3 GLU 112 2HG GLU 112 3.150 -30.872 4.628 845 H GLU 113 H GLU 113 -1.272 -30.706 5.854 846 HA GLU 113 HA GLU 113 -1.238 -27.930 6.621 847 HB2 GLU 113 1HB GLU 113 -3.203 -28.030 5.119 848 HB3 GLU 113 2HB GLU 113 -3.895 -29.287 6.133 849 HG2 GLU 113 1HG GLU 113 -4.059 -27.756 7.990 850 HG3 GLU 113 2HG GLU 113 -3.255 -26.495 7.056 851 H SER 114 H SER 114 -0.447 -28.222 8.606 852 HA SER 114 HA SER 114 -1.698 -30.266 10.319 853 HB2 SER 114 1HB SER 114 1.089 -29.097 10.370 854 HB3 SER 114 2HB SER 114 0.437 -30.105 11.662 855 HG SER 114 HG SER 114 0.398 -31.822 10.325 856 H GLY 115 H GLY 115 -2.585 -29.686 12.233 857 HA2 GLY 115 1HA GLY 115 -2.232 -26.895 13.117 858 HA3 GLY 115 2HA GLY 115 -3.842 -27.580 12.956 859 HA PRO 116 HA PRO 116 -1.617 -29.806 16.660 860 HB2 PRO 116 1HB PRO 116 0.525 -28.480 17.673 861 HB3 PRO 116 2HB PRO 116 0.666 -29.712 16.414 862 HG2 PRO 116 1HG PRO 116 0.646 -26.730 16.153 863 HG3 PRO 116 2HG PRO 116 1.684 -27.917 15.341 864 HD2 PRO 116 1HD PRO 116 -0.463 -26.791 14.134 865 HD3 PRO 116 2HD PRO 116 0.071 -28.448 13.782 866 H SER 117 H SER 117 -1.606 -29.291 18.995 867 HA SER 117 HA SER 117 -2.694 -26.628 19.601 868 HB2 SER 117 1HB SER 117 -3.837 -29.270 20.537 869 HB3 SER 117 2HB SER 117 -4.356 -27.687 21.113 870 HG SER 117 HG SER 117 -4.608 -27.356 18.651 871 H SER 118 H SER 118 -1.503 -29.665 21.024 872 HA SER 118 HA SER 118 -0.963 -28.884 23.580 873 HB2 SER 118 1HB SER 118 -0.542 -31.146 23.031 874 HB3 SER 118 2HB SER 118 0.574 -30.710 21.737 875 HG SER 118 HG SER 118 1.076 -31.118 24.355 876 H GLY 119 H GLY 119 0.633 -27.791 24.666 877 HA2 GLY 119 1HA GLY 119 2.382 -26.337 25.004 878 HA3 GLY 119 2HA GLY 119 3.045 -26.891 23.474 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -14.528 16.790 -36.615 2 HA2 GLY 1 1HA GLY 1 -11.932 16.444 -36.153 3 HA3 GLY 1 2HA GLY 1 -12.578 16.154 -34.544 4 H SER 2 H SER 2 -11.261 14.108 -35.422 5 HA SER 2 HA SER 2 -13.333 12.183 -36.202 6 HB2 SER 2 1HB SER 2 -10.537 12.232 -37.365 7 HB3 SER 2 2HB SER 2 -11.788 11.040 -37.716 8 HG SER 2 HG SER 2 -11.571 13.700 -38.543 9 H SER 3 H SER 3 -13.281 10.292 -35.110 10 HA SER 3 HA SER 3 -10.998 9.841 -33.300 11 HB2 SER 3 1HB SER 3 -13.953 9.507 -32.787 12 HB3 SER 3 2HB SER 3 -12.728 8.741 -31.775 13 HG SER 3 HG SER 3 -13.298 11.474 -32.123 14 H GLY 4 H GLY 4 -10.042 7.905 -33.415 15 HA2 GLY 4 1HA GLY 4 -10.674 5.420 -33.551 16 HA3 GLY 4 2HA GLY 4 -11.314 5.871 -35.125 17 H SER 5 H SER 5 -8.485 5.161 -33.280 18 HA SER 5 HA SER 5 -6.918 5.149 -35.763 19 HB2 SER 5 1HB SER 5 -6.102 6.364 -33.121 20 HB3 SER 5 2HB SER 5 -4.934 5.927 -34.368 21 HG SER 5 HG SER 5 -6.547 7.280 -35.722 22 H SER 6 H SER 6 -4.718 3.991 -35.277 23 HA SER 6 HA SER 6 -5.056 1.793 -33.382 24 HB2 SER 6 1HB SER 6 -4.412 0.143 -35.162 25 HB3 SER 6 2HB SER 6 -6.005 0.864 -35.394 26 HG SER 6 HG SER 6 -5.238 1.289 -37.311 27 H GLY 7 H GLY 7 -3.088 0.637 -32.935 28 HA2 GLY 7 1HA GLY 7 -0.595 1.122 -34.052 29 HA3 GLY 7 2HA GLY 7 -0.820 2.342 -32.807 30 H ASN 8 H ASN 8 -0.295 -1.024 -33.470 31 HA ASN 8 HA ASN 8 0.893 -1.462 -30.932 32 HB2 ASN 8 1HB ASN 8 -1.521 -1.537 -30.295 33 HB3 ASN 8 2HB ASN 8 -1.730 -2.897 -31.395 34 HD21 ASN 8 1HD2 ASN 8 -1.926 -4.684 -30.268 35 HD22 ASN 8 2HD2 ASN 8 -0.970 -5.140 -28.903 36 H GLY 9 H GLY 9 2.225 -3.213 -30.979 37 HA2 GLY 9 1HA GLY 9 1.888 -5.550 -32.454 38 HA3 GLY 9 2HA GLY 9 2.768 -4.426 -33.479 39 H GLY 10 H GLY 10 2.833 -5.698 -30.146 40 HA2 GLY 10 1HA GLY 10 5.642 -6.359 -30.466 41 HA3 GLY 10 2HA GLY 10 5.303 -5.098 -29.289 42 H ILE 11 H ILE 11 6.544 -7.252 -28.347 43 HA ILE 11 HA ILE 11 4.423 -8.718 -26.919 44 HB ILE 11 HB ILE 11 7.124 -9.780 -27.758 45 HG12 ILE 11 1HG1 ILE 11 4.395 -10.802 -28.540 46 HG13 ILE 11 2HG1 ILE 11 5.258 -9.600 -29.493 47 HG21 ILE 11 1HG2 ILE 11 4.965 -11.364 -26.411 48 HG22 ILE 11 2HG2 ILE 11 6.674 -11.754 -26.600 49 HG23 ILE 11 3HG2 ILE 11 6.178 -10.487 -25.479 50 HD11 ILE 11 1HD1 ILE 11 6.976 -11.821 -28.935 51 HD12 ILE 11 2HD1 ILE 11 5.464 -12.379 -29.651 52 HD13 ILE 11 3HD1 ILE 11 6.444 -11.175 -30.487 53 HA PRO 12 HA PRO 12 6.226 -7.048 -23.255 54 HB2 PRO 12 1HB PRO 12 5.120 -8.761 -21.463 55 HB3 PRO 12 2HB PRO 12 4.202 -7.475 -22.256 56 HG2 PRO 12 1HG PRO 12 4.340 -10.390 -22.922 57 HG3 PRO 12 2HG PRO 12 2.927 -9.320 -22.870 58 HD2 PRO 12 1HD PRO 12 4.149 -10.007 -25.186 59 HD3 PRO 12 2HD PRO 12 3.366 -8.432 -24.951 60 H HIS 13 H HIS 13 7.633 -7.653 -21.473 61 HA HIS 13 HA HIS 13 9.153 -10.122 -22.003 62 HB2 HIS 13 1HB HIS 13 10.295 -7.543 -20.916 63 HB3 HIS 13 2HB HIS 13 11.187 -8.982 -21.401 64 HD1 HIS 13 1HD HIS 13 11.983 -9.056 -23.762 65 HD2 HIS 13 2HD HIS 13 9.047 -6.175 -23.181 66 HE1 HIS 13 1HE HIS 13 11.851 -7.785 -25.928 67 HE2 HIS 13 2HE HIS 13 10.128 -5.993 -25.524 68 H ASP 14 H ASP 14 8.439 -7.702 -19.489 69 HA ASP 14 HA ASP 14 8.977 -9.683 -17.418 70 HB2 ASP 14 1HB ASP 14 8.351 -7.611 -15.940 71 HB3 ASP 14 2HB ASP 14 9.909 -7.668 -16.760 72 H ASN 15 H ASN 15 7.359 -11.052 -17.025 73 HA ASN 15 HA ASN 15 4.611 -10.365 -17.452 74 HB2 ASN 15 1HB ASN 15 5.813 -12.696 -17.598 75 HB3 ASN 15 2HB ASN 15 5.453 -12.770 -15.876 76 HD21 ASN 15 1HD2 ASN 15 3.330 -12.928 -15.195 77 HD22 ASN 15 2HD2 ASN 15 2.041 -13.337 -16.270 78 H LEU 16 H LEU 16 4.194 -8.617 -16.079 79 HA LEU 16 HA LEU 16 4.293 -9.191 -13.196 80 HB2 LEU 16 1HB LEU 16 4.287 -6.630 -14.758 81 HB3 LEU 16 2HB LEU 16 3.880 -6.664 -13.043 82 HG LEU 16 HG LEU 16 6.492 -7.717 -14.102 83 HD11 LEU 16 1HD1 LEU 16 7.276 -5.667 -14.405 84 HD12 LEU 16 2HD1 LEU 16 6.742 -5.183 -12.795 85 HD13 LEU 16 3HD1 LEU 16 5.645 -5.038 -14.169 86 HD21 LEU 16 1HD2 LEU 16 5.574 -6.804 -11.377 87 HD22 LEU 16 2HD2 LEU 16 7.210 -7.325 -11.783 88 HD23 LEU 16 3HD2 LEU 16 5.870 -8.468 -11.881 89 H VAL 17 H VAL 17 2.484 -8.540 -11.882 90 HA VAL 17 HA VAL 17 -0.061 -8.808 -13.323 91 HB VAL 17 HB VAL 17 0.567 -9.256 -10.402 92 HG11 VAL 17 1HG1 VAL 17 -1.623 -8.775 -10.174 93 HG12 VAL 17 2HG1 VAL 17 -1.967 -9.033 -11.886 94 HG13 VAL 17 3HG1 VAL 17 -1.839 -10.412 -10.793 95 HG21 VAL 17 1HG2 VAL 17 0.978 -11.390 -10.893 96 HG22 VAL 17 2HG2 VAL 17 -0.464 -11.510 -11.901 97 HG23 VAL 17 3HG2 VAL 17 1.043 -10.901 -12.586 98 H LEU 18 H LEU 18 -1.600 -7.267 -13.251 99 HA LEU 18 HA LEU 18 -0.980 -4.831 -11.720 100 HB2 LEU 18 1HB LEU 18 -1.025 -4.546 -14.148 101 HB3 LEU 18 2HB LEU 18 -2.671 -5.174 -14.194 102 HG LEU 18 HG LEU 18 -3.190 -3.160 -12.622 103 HD11 LEU 18 1HD1 LEU 18 -0.497 -2.496 -13.727 104 HD12 LEU 18 2HD1 LEU 18 -1.146 -2.229 -12.109 105 HD13 LEU 18 3HD1 LEU 18 -1.676 -1.214 -13.451 106 HD21 LEU 18 1HD2 LEU 18 -4.156 -2.231 -14.422 107 HD22 LEU 18 2HD2 LEU 18 -3.536 -3.646 -15.273 108 HD23 LEU 18 3HD2 LEU 18 -2.636 -2.129 -15.311 109 H ILE 19 H ILE 19 -2.496 -3.914 -10.400 110 HA ILE 19 HA ILE 19 -4.968 -5.467 -9.993 111 HB ILE 19 HB ILE 19 -3.466 -3.819 -7.955 112 HG12 ILE 19 1HG1 ILE 19 -2.451 -6.049 -8.757 113 HG13 ILE 19 2HG1 ILE 19 -2.654 -5.817 -7.024 114 HG21 ILE 19 1HG2 ILE 19 -5.060 -5.091 -6.396 115 HG22 ILE 19 2HG2 ILE 19 -5.709 -3.738 -7.320 116 HG23 ILE 19 3HG2 ILE 19 -6.016 -5.393 -7.846 117 HD11 ILE 19 1HD1 ILE 19 -4.938 -7.072 -8.355 118 HD12 ILE 19 2HD1 ILE 19 -3.444 -8.010 -8.398 119 HD13 ILE 19 3HD1 ILE 19 -4.118 -7.496 -6.852 120 H ARG 20 H ARG 20 -6.586 -4.408 -10.954 121 HA ARG 20 HA ARG 20 -6.690 -1.480 -10.738 122 HB2 ARG 20 1HB ARG 20 -7.999 -3.418 -12.641 123 HB3 ARG 20 2HB ARG 20 -8.480 -1.730 -12.532 124 HG2 ARG 20 1HG ARG 20 -6.399 -0.975 -13.321 125 HG3 ARG 20 2HG ARG 20 -5.644 -2.550 -13.068 126 HD2 ARG 20 1HD ARG 20 -5.982 -2.630 -15.328 127 HD3 ARG 20 2HD ARG 20 -7.498 -3.334 -14.766 128 HE ARG 20 HE ARG 20 -7.793 -0.546 -15.000 129 HH11 ARG 20 2HH1 ARG 20 -7.423 -3.393 -16.970 130 HH12 ARG 20 1HH1 ARG 20 -8.283 -2.730 -18.320 131 HH21 ARG 20 2HH2 ARG 20 -8.927 0.338 -16.771 132 HH22 ARG 20 1HH2 ARG 20 -9.137 -0.608 -18.206 133 H MET 21 H MET 21 -8.177 -0.520 -9.505 134 HA MET 21 HA MET 21 -10.716 -1.756 -8.938 135 HB2 MET 21 1HB MET 21 -10.491 -1.955 -6.574 136 HB3 MET 21 2HB MET 21 -9.123 -2.798 -7.289 137 HG2 MET 21 1HG MET 21 -8.775 0.050 -6.528 138 HG3 MET 21 2HG MET 21 -8.840 -1.159 -5.248 139 HE1 MET 21 1HE MET 21 -7.367 -2.878 -4.788 140 HE2 MET 21 2HE MET 21 -5.688 -3.006 -5.312 141 HE3 MET 21 3HE MET 21 -6.202 -1.636 -4.326 142 H LYS 22 H LYS 22 -12.087 -0.333 -7.553 143 HA LYS 22 HA LYS 22 -11.354 2.491 -7.970 144 HB2 LYS 22 1HB LYS 22 -14.160 1.408 -7.737 145 HB3 LYS 22 2HB LYS 22 -13.664 3.004 -8.285 146 HG2 LYS 22 1HG LYS 22 -14.099 2.040 -10.292 147 HG3 LYS 22 2HG LYS 22 -12.402 1.586 -10.124 148 HD2 LYS 22 1HD LYS 22 -13.417 -0.413 -10.734 149 HD3 LYS 22 2HD LYS 22 -13.328 -0.539 -8.976 150 HE2 LYS 22 1HE LYS 22 -15.504 -1.227 -9.526 151 HE3 LYS 22 2HE LYS 22 -15.682 0.429 -8.949 152 HZ1 LYS 22 1HZ LYS 22 -16.318 1.153 -10.963 153 HZ2 LYS 22 2HZ LYS 22 -16.732 -0.465 -11.225 154 HZ3 LYS 22 3HZ LYS 22 -15.260 0.135 -11.804 155 HA PRO 23 HA PRO 23 -11.615 3.229 -3.648 156 HB2 PRO 23 1HB PRO 23 -12.498 5.795 -3.620 157 HB3 PRO 23 2HB PRO 23 -10.853 5.351 -4.091 158 HG2 PRO 23 1HG PRO 23 -13.215 5.978 -5.821 159 HG3 PRO 23 2HG PRO 23 -11.528 6.492 -6.002 160 HD2 PRO 23 1HD PRO 23 -12.592 4.456 -7.435 161 HD3 PRO 23 2HD PRO 23 -10.886 4.488 -6.943 162 H ASP 24 H ASP 24 -13.074 2.507 -2.244 163 HA ASP 24 HA ASP 24 -15.760 2.075 -2.777 164 HB2 ASP 24 1HB ASP 24 -14.294 1.118 -0.891 165 HB3 ASP 24 2HB ASP 24 -14.733 2.567 0.010 166 H GLU 25 H GLU 25 -17.513 3.013 -1.159 167 HA GLU 25 HA GLU 25 -18.245 5.502 -2.004 168 HB2 GLU 25 1HB GLU 25 -18.842 4.295 0.703 169 HB3 GLU 25 2HB GLU 25 -19.730 5.616 -0.041 170 HG2 GLU 25 1HG GLU 25 -19.480 2.892 -1.282 171 HG3 GLU 25 2HG GLU 25 -20.798 3.356 -0.208 172 H ASN 26 H ASN 26 -16.467 4.749 0.983 173 HA ASN 26 HA ASN 26 -16.076 7.555 1.566 174 HB2 ASN 26 1HB ASN 26 -16.333 5.498 3.217 175 HB3 ASN 26 2HB ASN 26 -14.586 5.408 3.011 176 HD21 ASN 26 1HD2 ASN 26 -14.384 5.908 5.236 177 HD22 ASN 26 2HD2 ASN 26 -14.548 7.534 5.794 178 H GLY 27 H GLY 27 -14.361 4.981 0.006 179 HA2 GLY 27 1HA GLY 27 -12.634 5.838 -1.584 180 HA3 GLY 27 2HA GLY 27 -11.992 6.735 -0.216 181 H ARG 28 H ARG 28 -12.391 4.574 1.685 182 HA ARG 28 HA ARG 28 -9.926 3.362 1.644 183 HB2 ARG 28 1HB ARG 28 -12.489 2.269 2.818 184 HB3 ARG 28 2HB ARG 28 -10.873 1.699 3.215 185 HG2 ARG 28 1HG ARG 28 -10.355 4.041 3.978 186 HG3 ARG 28 2HG ARG 28 -12.078 4.386 3.808 187 HD2 ARG 28 1HD ARG 28 -11.719 3.828 6.083 188 HD3 ARG 28 2HD ARG 28 -12.505 2.436 5.340 189 HE ARG 28 HE ARG 28 -9.617 2.322 5.415 190 HH11 ARG 28 2HH1 ARG 28 -12.605 1.519 7.011 191 HH12 ARG 28 1HH1 ARG 28 -11.911 0.238 7.949 192 HH21 ARG 28 2HH2 ARG 28 -8.691 0.638 6.644 193 HH22 ARG 28 1HH2 ARG 28 -9.685 -0.261 7.740 194 H PHE 29 H PHE 29 -9.003 1.763 0.533 195 HA PHE 29 HA PHE 29 -10.471 0.451 -1.560 196 HB2 PHE 29 1HB PHE 29 -7.629 -0.083 -0.681 197 HB3 PHE 29 2HB PHE 29 -8.352 -0.465 -2.240 198 HD1 PHE 29 1HD PHE 29 -8.777 1.286 -3.877 199 HD2 PHE 29 2HD PHE 29 -6.903 2.141 -0.152 200 HE1 PHE 29 1HE PHE 29 -8.032 3.460 -4.755 201 HE2 PHE 29 2HE PHE 29 -6.156 4.317 -1.024 202 HZ PHE 29 HZ PHE 29 -6.721 4.980 -3.327 203 H GLY 30 H GLY 30 -8.547 -0.762 1.195 204 HA2 GLY 30 1HA GLY 30 -9.726 -2.395 2.661 205 HA3 GLY 30 2HA GLY 30 -10.271 -3.163 1.178 206 H PHE 31 H PHE 31 -7.073 -1.933 2.125 207 HA PHE 31 HA PHE 31 -5.980 -4.554 2.473 208 HB2 PHE 31 1HB PHE 31 -4.603 -4.714 0.559 209 HB3 PHE 31 2HB PHE 31 -6.189 -4.263 -0.057 210 HD1 PHE 31 2HD PHE 31 -6.589 -2.050 -0.966 211 HD2 PHE 31 1HD PHE 31 -2.747 -3.183 0.472 212 HE1 PHE 31 2HE PHE 31 -5.594 -0.112 -2.109 213 HE2 PHE 31 1HE PHE 31 -1.745 -1.246 -0.668 214 HZ PHE 31 HZ PHE 31 -3.169 0.291 -1.962 215 H ASN 32 H ASN 32 -3.982 -4.517 3.459 216 HA ASN 32 HA ASN 32 -2.917 -1.838 4.066 217 HB2 ASN 32 1HB ASN 32 -3.282 -4.275 5.764 218 HB3 ASN 32 2HB ASN 32 -1.964 -3.167 6.132 219 HD21 ASN 32 1HD2 ASN 32 -4.160 -3.725 7.814 220 HD22 ASN 32 2HD2 ASN 32 -5.056 -2.262 8.018 221 H VAL 33 H VAL 33 -0.555 -1.907 4.736 222 HA VAL 33 HA VAL 33 0.952 -3.937 3.242 223 HB VAL 33 HB VAL 33 2.471 -2.199 2.366 224 HG11 VAL 33 1HG1 VAL 33 1.106 -1.533 0.547 225 HG12 VAL 33 2HG1 VAL 33 0.492 -3.098 1.085 226 HG13 VAL 33 3HG1 VAL 33 -0.359 -1.616 1.525 227 HG21 VAL 33 1HG2 VAL 33 0.746 0.068 2.576 228 HG22 VAL 33 2HG2 VAL 33 1.090 -0.549 4.192 229 HG23 VAL 33 3HG2 VAL 33 2.416 -0.109 3.115 230 H LYS 34 H LYS 34 3.197 -4.107 3.872 231 HA LYS 34 HA LYS 34 3.975 -2.786 6.349 232 HB2 LYS 34 1HB LYS 34 4.427 -4.826 7.541 233 HB3 LYS 34 2HB LYS 34 2.749 -4.853 7.014 234 HG2 LYS 34 1HG LYS 34 3.361 -6.311 5.148 235 HG3 LYS 34 2HG LYS 34 5.040 -6.293 5.690 236 HD2 LYS 34 1HD LYS 34 4.323 -7.282 7.837 237 HD3 LYS 34 2HD LYS 34 2.670 -7.362 7.223 238 HE2 LYS 34 1HE LYS 34 3.613 -8.735 5.305 239 HE3 LYS 34 2HE LYS 34 5.097 -8.850 6.250 240 HZ1 LYS 34 1HZ LYS 34 4.120 -10.185 7.797 241 HZ2 LYS 34 2HZ LYS 34 3.236 -10.659 6.435 242 HZ3 LYS 34 3HZ LYS 34 2.566 -9.567 7.540 243 H GLY 35 H GLY 35 6.263 -3.369 6.956 244 HA2 GLY 35 1HA GLY 35 8.459 -3.938 6.389 245 HA3 GLY 35 2HA GLY 35 7.902 -4.403 4.789 246 H GLY 36 H GLY 36 9.356 -3.278 3.571 247 HA2 GLY 36 1HA GLY 36 9.433 -1.211 2.277 248 HA3 GLY 36 2HA GLY 36 9.175 -0.338 3.780 249 H TYR 37 H TYR 37 11.258 0.267 2.029 250 HA TYR 37 HA TYR 37 13.702 -0.855 2.297 251 HB2 TYR 37 1HB TYR 37 13.044 1.326 1.111 252 HB3 TYR 37 2HB TYR 37 13.371 2.119 2.647 253 HD1 TYR 37 1HD TYR 37 15.716 1.705 3.681 254 HD2 TYR 37 2HD TYR 37 14.775 0.994 -0.407 255 HE1 TYR 37 1HE TYR 37 18.107 1.827 3.116 256 HE2 TYR 37 2HE TYR 37 17.163 1.113 -0.983 257 HH TYR 37 HH TYR 37 19.232 1.343 -0.220 258 H ASP 38 H ASP 38 11.980 0.965 4.749 259 HA ASP 38 HA ASP 38 14.019 1.423 6.577 260 HB2 ASP 38 1HB ASP 38 11.662 2.279 6.726 261 HB3 ASP 38 2HB ASP 38 11.176 0.680 7.284 262 H GLN 39 H GLN 39 11.964 -1.440 6.183 263 HA GLN 39 HA GLN 39 13.587 -2.858 8.169 264 HB2 GLN 39 1HB GLN 39 10.876 -3.338 6.977 265 HB3 GLN 39 2HB GLN 39 11.754 -4.658 7.738 266 HG2 GLN 39 1HG GLN 39 11.979 -2.976 9.722 267 HG3 GLN 39 2HG GLN 39 10.592 -2.202 8.956 268 HE21 GLN 39 1HE2 GLN 39 11.751 -5.327 10.133 269 HE22 GLN 39 2HE2 GLN 39 10.206 -5.908 10.643 270 H LYS 40 H LYS 40 14.542 -2.207 5.472 271 HA LYS 40 HA LYS 40 15.420 -3.191 3.585 272 HB2 LYS 40 1HB LYS 40 16.268 -4.877 5.918 273 HB3 LYS 40 2HB LYS 40 16.794 -5.291 4.291 274 HG2 LYS 40 1HG LYS 40 17.226 -2.581 5.518 275 HG3 LYS 40 2HG LYS 40 18.392 -3.900 5.637 276 HD2 LYS 40 1HD LYS 40 17.332 -3.024 2.974 277 HD3 LYS 40 2HD LYS 40 18.664 -2.159 3.745 278 HE2 LYS 40 1HE LYS 40 20.012 -4.136 3.778 279 HE3 LYS 40 2HE LYS 40 18.658 -5.131 3.244 280 HZ1 LYS 40 1HZ LYS 40 20.323 -4.515 1.492 281 HZ2 LYS 40 2HZ LYS 40 19.766 -2.923 1.609 282 HZ3 LYS 40 3HZ LYS 40 18.714 -4.153 1.116 283 H MET 41 H MET 41 12.657 -3.935 4.069 284 HA MET 41 HA MET 41 12.660 -6.500 2.634 285 HB2 MET 41 1HB MET 41 10.886 -7.375 3.916 286 HB3 MET 41 2HB MET 41 12.011 -6.709 5.092 287 HG2 MET 41 1HG MET 41 10.638 -4.845 5.505 288 HG3 MET 41 2HG MET 41 9.646 -5.165 4.084 289 HE1 MET 41 1HE MET 41 8.769 -7.446 3.707 290 HE2 MET 41 2HE MET 41 8.387 -8.650 4.938 291 HE3 MET 41 3HE MET 41 7.241 -7.356 4.583 292 HA PRO 42 HA PRO 42 10.038 -4.496 -0.265 293 HB2 PRO 42 1HB PRO 42 8.623 -6.615 -1.202 294 HB3 PRO 42 2HB PRO 42 10.323 -6.343 -1.602 295 HG2 PRO 42 1HG PRO 42 9.127 -8.171 0.445 296 HG3 PRO 42 2HG PRO 42 10.458 -8.476 -0.687 297 HD2 PRO 42 1HD PRO 42 10.872 -7.863 1.918 298 HD3 PRO 42 2HD PRO 42 11.998 -7.381 0.632 299 H VAL 43 H VAL 43 7.853 -3.899 -0.703 300 HA VAL 43 HA VAL 43 6.208 -3.808 1.645 301 HB VAL 43 HB VAL 43 5.640 -2.840 -1.160 302 HG11 VAL 43 1HG1 VAL 43 4.257 -1.797 1.265 303 HG12 VAL 43 2HG1 VAL 43 3.714 -1.836 -0.414 304 HG13 VAL 43 3HG1 VAL 43 3.709 -3.313 0.551 305 HG21 VAL 43 1HG2 VAL 43 5.984 -0.636 0.417 306 HG22 VAL 43 2HG2 VAL 43 7.179 -1.752 1.078 307 HG23 VAL 43 3HG2 VAL 43 7.216 -1.334 -0.635 308 H ILE 44 H ILE 44 5.183 -5.630 2.219 309 HA ILE 44 HA ILE 44 3.730 -7.120 0.134 310 HB ILE 44 HB ILE 44 4.420 -8.192 2.861 311 HG12 ILE 44 1HG1 ILE 44 6.530 -7.622 1.831 312 HG13 ILE 44 2HG1 ILE 44 6.315 -9.367 1.738 313 HG21 ILE 44 1HG2 ILE 44 3.288 -9.981 2.198 314 HG22 ILE 44 2HG2 ILE 44 2.850 -9.129 0.718 315 HG23 ILE 44 3HG2 ILE 44 4.303 -10.127 0.763 316 HD11 ILE 44 1HD1 ILE 44 5.223 -8.316 -0.620 317 HD12 ILE 44 2HD1 ILE 44 6.756 -7.483 -0.360 318 HD13 ILE 44 3HD1 ILE 44 6.710 -9.245 -0.430 319 H VAL 45 H VAL 45 1.577 -7.551 0.373 320 HA VAL 45 HA VAL 45 -0.045 -5.794 1.764 321 HB VAL 45 HB VAL 45 -0.696 -8.595 0.838 322 HG11 VAL 45 1HG1 VAL 45 -2.196 -6.968 2.531 323 HG12 VAL 45 2HG1 VAL 45 -2.925 -6.765 0.936 324 HG13 VAL 45 3HG1 VAL 45 -2.761 -8.377 1.634 325 HG21 VAL 45 1HG2 VAL 45 -1.722 -7.424 -1.080 326 HG22 VAL 45 2HG2 VAL 45 -1.098 -5.897 -0.454 327 HG23 VAL 45 3HG2 VAL 45 0.019 -7.159 -0.974 328 H SER 46 H SER 46 -0.575 -5.579 3.831 329 HA SER 46 HA SER 46 0.331 -7.486 5.780 330 HB2 SER 46 1HB SER 46 0.117 -4.855 5.931 331 HB3 SER 46 2HB SER 46 -1.509 -5.239 6.497 332 HG SER 46 HG SER 46 0.966 -5.752 7.685 333 H ARG 47 H ARG 47 -2.893 -6.064 5.207 334 HA ARG 47 HA ARG 47 -4.103 -8.695 5.549 335 HB2 ARG 47 1HB ARG 47 -3.990 -7.668 7.816 336 HB3 ARG 47 2HB ARG 47 -4.955 -6.325 7.220 337 HG2 ARG 47 1HG ARG 47 -6.572 -7.608 8.192 338 HG3 ARG 47 2HG ARG 47 -6.622 -8.228 6.541 339 HD2 ARG 47 1HD ARG 47 -5.314 -10.133 7.139 340 HD3 ARG 47 2HD ARG 47 -4.973 -9.466 8.735 341 HE ARG 47 HE ARG 47 -7.738 -9.702 8.485 342 HH11 ARG 47 2HH1 ARG 47 -4.930 -11.754 8.618 343 HH12 ARG 47 1HH1 ARG 47 -5.777 -13.089 9.327 344 HH21 ARG 47 2HH2 ARG 47 -8.866 -11.451 9.418 345 HH22 ARG 47 1HH2 ARG 47 -8.016 -12.916 9.780 346 H VAL 48 H VAL 48 -6.239 -8.845 4.736 347 HA VAL 48 HA VAL 48 -7.237 -6.507 3.270 348 HB VAL 48 HB VAL 48 -6.952 -9.259 2.055 349 HG11 VAL 48 1HG1 VAL 48 -7.549 -7.525 0.028 350 HG12 VAL 48 2HG1 VAL 48 -8.706 -8.587 0.833 351 HG13 VAL 48 3HG1 VAL 48 -8.542 -6.908 1.349 352 HG21 VAL 48 1HG2 VAL 48 -5.363 -8.202 0.526 353 HG22 VAL 48 2HG2 VAL 48 -5.527 -6.679 1.401 354 HG23 VAL 48 3HG2 VAL 48 -4.815 -8.083 2.198 355 H ALA 49 H ALA 49 -9.142 -6.160 4.224 356 HA ALA 49 HA ALA 49 -10.739 -8.279 5.315 357 HB1 ALA 49 1HB ALA 49 -10.518 -5.746 6.019 358 HB2 ALA 49 2HB ALA 49 -11.864 -5.559 4.894 359 HB3 ALA 49 3HB ALA 49 -12.014 -6.645 6.275 360 HA PRO 50 HA PRO 50 -13.116 -9.284 1.747 361 HB2 PRO 50 1HB PRO 50 -15.317 -10.298 2.971 362 HB3 PRO 50 2HB PRO 50 -13.774 -11.159 2.901 363 HG2 PRO 50 1HG PRO 50 -14.939 -9.537 5.131 364 HG3 PRO 50 2HG PRO 50 -14.100 -11.098 5.203 365 HD2 PRO 50 1HD PRO 50 -12.877 -8.758 5.805 366 HD3 PRO 50 2HD PRO 50 -12.014 -10.126 5.072 367 H GLY 51 H GLY 51 -15.288 -8.901 0.776 368 HA2 GLY 51 1HA GLY 51 -17.012 -7.511 0.167 369 HA3 GLY 51 2HA GLY 51 -17.088 -7.002 1.847 370 H THR 52 H THR 52 -14.197 -6.670 -0.088 371 HA THR 52 HA THR 52 -14.637 -3.755 -0.157 372 HB THR 52 HB THR 52 -12.080 -3.612 -0.055 373 HG1 THR 52 1HG THR 52 -11.168 -5.453 1.099 374 HG21 THR 52 1HG2 THR 52 -12.557 -4.537 2.579 375 HG22 THR 52 2HG2 THR 52 -14.057 -3.820 1.991 376 HG23 THR 52 3HG2 THR 52 -12.568 -2.876 1.989 377 HA PRO 53 HA PRO 53 -13.881 -3.845 -4.482 378 HB2 PRO 53 1HB PRO 53 -12.688 -1.435 -4.855 379 HB3 PRO 53 2HB PRO 53 -14.410 -1.609 -4.499 380 HG2 PRO 53 1HG PRO 53 -12.154 -0.927 -2.653 381 HG3 PRO 53 2HG PRO 53 -13.775 -0.213 -2.751 382 HD2 PRO 53 1HD PRO 53 -13.104 -2.051 -0.880 383 HD3 PRO 53 2HD PRO 53 -14.741 -1.930 -1.556 384 H ALA 54 H ALA 54 -11.445 -4.140 -2.263 385 HA ALA 54 HA ALA 54 -9.288 -4.099 -4.249 386 HB1 ALA 54 1HB ALA 54 -9.260 -3.088 -1.783 387 HB2 ALA 54 2HB ALA 54 -8.709 -4.722 -1.413 388 HB3 ALA 54 3HB ALA 54 -7.815 -3.730 -2.565 389 H ASP 55 H ASP 55 -11.316 -6.240 -2.495 390 HA ASP 55 HA ASP 55 -9.557 -8.526 -3.011 391 HB2 ASP 55 1HB ASP 55 -10.832 -8.035 -0.765 392 HB3 ASP 55 2HB ASP 55 -12.193 -8.765 -1.611 393 H LEU 56 H LEU 56 -13.045 -7.822 -3.304 394 HA LEU 56 HA LEU 56 -13.758 -9.889 -4.964 395 HB2 LEU 56 1HB LEU 56 -14.816 -7.073 -5.139 396 HB3 LEU 56 2HB LEU 56 -15.634 -8.539 -5.676 397 HG LEU 56 HG LEU 56 -14.886 -8.259 -2.799 398 HD11 LEU 56 1HD1 LEU 56 -17.504 -7.211 -3.783 399 HD12 LEU 56 2HD1 LEU 56 -16.091 -6.157 -3.728 400 HD13 LEU 56 3HD1 LEU 56 -16.682 -6.918 -2.250 401 HD21 LEU 56 1HD2 LEU 56 -15.802 -10.367 -3.760 402 HD22 LEU 56 2HD2 LEU 56 -17.282 -9.490 -4.150 403 HD23 LEU 56 3HD2 LEU 56 -16.785 -9.678 -2.468 404 H CYS 57 H CYS 57 -11.753 -7.222 -5.694 405 HA CYS 57 HA CYS 57 -12.179 -7.012 -8.474 406 HB2 CYS 57 1HB CYS 57 -10.247 -5.676 -8.533 407 HB3 CYS 57 2HB CYS 57 -10.895 -5.420 -6.917 408 HG CYS 57 HG CYS 57 -8.065 -5.551 -6.867 409 H VAL 58 H VAL 58 -10.475 -7.578 -10.120 410 HA VAL 58 HA VAL 58 -9.175 -10.148 -9.544 411 HB VAL 58 HB VAL 58 -11.141 -10.875 -10.627 412 HG11 VAL 58 1HG1 VAL 58 -12.211 -9.045 -11.510 413 HG12 VAL 58 2HG1 VAL 58 -10.761 -8.451 -12.321 414 HG13 VAL 58 3HG1 VAL 58 -11.639 -9.832 -12.980 415 HG21 VAL 58 1HG2 VAL 58 -10.321 -11.954 -12.548 416 HG22 VAL 58 2HG2 VAL 58 -9.213 -10.633 -12.920 417 HG23 VAL 58 3HG2 VAL 58 -8.901 -11.682 -11.538 418 HA PRO 59 HA PRO 59 -7.639 -11.346 -9.997 419 HB2 PRO 59 1HB PRO 59 -5.083 -11.191 -9.096 420 HB3 PRO 59 2HB PRO 59 -5.500 -11.791 -10.706 421 HG2 PRO 59 1HG PRO 59 -4.525 -9.081 -9.888 422 HG3 PRO 59 2HG PRO 59 -4.044 -10.071 -11.279 423 HD2 PRO 59 1HD PRO 59 -5.786 -8.010 -11.491 424 HD3 PRO 59 2HD PRO 59 -5.889 -9.456 -12.515 425 H ARG 60 H ARG 60 -8.314 -11.562 -7.953 426 HA ARG 60 HA ARG 60 -8.761 -9.424 -6.245 427 HB2 ARG 60 1HB ARG 60 -10.047 -11.318 -5.805 428 HB3 ARG 60 2HB ARG 60 -8.654 -12.391 -5.835 429 HG2 ARG 60 1HG ARG 60 -7.888 -11.291 -3.713 430 HG3 ARG 60 2HG ARG 60 -9.452 -10.475 -3.663 431 HD2 ARG 60 1HD ARG 60 -10.619 -12.501 -3.412 432 HD3 ARG 60 2HD ARG 60 -9.220 -13.459 -3.897 433 HE ARG 60 HE ARG 60 -8.665 -11.973 -1.546 434 HH11 ARG 60 2HH1 ARG 60 -10.371 -14.781 -2.699 435 HH12 ARG 60 1HH1 ARG 60 -10.276 -15.621 -1.187 436 HH21 ARG 60 2HH2 ARG 60 -8.534 -13.069 0.450 437 HH22 ARG 60 1HH2 ARG 60 -9.232 -14.646 0.604 438 H LEU 61 H LEU 61 -7.603 -8.386 -4.730 439 HA LEU 61 HA LEU 61 -4.776 -8.840 -4.596 440 HB2 LEU 61 1HB LEU 61 -5.974 -6.603 -4.500 441 HB3 LEU 61 2HB LEU 61 -6.382 -7.008 -2.834 442 HG LEU 61 HG LEU 61 -3.857 -7.243 -2.469 443 HD11 LEU 61 1HD1 LEU 61 -3.737 -5.519 -4.930 444 HD12 LEU 61 2HD1 LEU 61 -3.374 -7.244 -4.940 445 HD13 LEU 61 3HD1 LEU 61 -2.395 -6.143 -3.970 446 HD21 LEU 61 1HD2 LEU 61 -5.610 -4.985 -2.468 447 HD22 LEU 61 2HD2 LEU 61 -3.979 -4.461 -2.889 448 HD23 LEU 61 3HD2 LEU 61 -4.262 -5.348 -1.391 449 H ASN 62 H ASN 62 -4.208 -10.685 -3.569 450 HA ASN 62 HA ASN 62 -5.345 -11.207 -0.912 451 HB2 ASN 62 1HB ASN 62 -4.076 -13.458 -1.291 452 HB3 ASN 62 2HB ASN 62 -5.594 -13.168 -2.136 453 HD21 ASN 62 1HD2 ASN 62 -5.597 -13.547 -4.226 454 HD22 ASN 62 2HD2 ASN 62 -4.210 -13.591 -5.255 455 H GLU 63 H GLU 63 -3.843 -12.051 0.748 456 HA GLU 63 HA GLU 63 -1.759 -10.270 1.260 457 HB2 GLU 63 1HB GLU 63 -2.109 -13.049 2.397 458 HB3 GLU 63 2HB GLU 63 -1.145 -11.757 3.097 459 HG2 GLU 63 1HG GLU 63 -3.028 -11.567 4.352 460 HG3 GLU 63 2HG GLU 63 -3.429 -10.463 3.038 461 H GLY 64 H GLY 64 0.442 -10.342 1.016 462 HA2 GLY 64 1HA GLY 64 2.468 -11.631 0.595 463 HA3 GLY 64 2HA GLY 64 1.526 -12.632 -0.500 464 H ASP 65 H ASP 65 0.174 -10.628 -1.912 465 HA ASP 65 HA ASP 65 1.711 -10.106 -4.053 466 HB2 ASP 65 1HB ASP 65 -0.438 -8.377 -2.834 467 HB3 ASP 65 2HB ASP 65 0.303 -7.998 -4.386 468 H GLN 66 H GLN 66 3.669 -9.259 -4.242 469 HA GLN 66 HA GLN 66 4.613 -7.282 -2.337 470 HB2 GLN 66 1HB GLN 66 6.133 -9.070 -2.888 471 HB3 GLN 66 2HB GLN 66 5.983 -8.729 -4.607 472 HG2 GLN 66 1HG GLN 66 7.090 -6.596 -4.309 473 HG3 GLN 66 2HG GLN 66 7.184 -6.868 -2.570 474 HE21 GLN 66 1HE2 GLN 66 9.107 -6.672 -5.016 475 HE22 GLN 66 2HE2 GLN 66 10.236 -7.943 -4.705 476 H VAL 67 H VAL 67 3.920 -5.267 -2.718 477 HA VAL 67 HA VAL 67 3.351 -4.242 -5.309 478 HB VAL 67 HB VAL 67 3.819 -2.660 -2.780 479 HG11 VAL 67 1HG1 VAL 67 3.170 -0.847 -3.907 480 HG12 VAL 67 2HG1 VAL 67 3.437 -1.792 -5.372 481 HG13 VAL 67 3HG1 VAL 67 1.825 -1.700 -4.662 482 HG21 VAL 67 1HG2 VAL 67 1.718 -3.116 -2.051 483 HG22 VAL 67 2HG2 VAL 67 1.079 -3.331 -3.681 484 HG23 VAL 67 3HG2 VAL 67 2.013 -4.620 -2.923 485 H VAL 68 H VAL 68 4.728 -3.517 -6.781 486 HA VAL 68 HA VAL 68 7.467 -2.861 -5.968 487 HB VAL 68 HB VAL 68 6.355 -3.354 -8.734 488 HG11 VAL 68 1HG1 VAL 68 8.251 -2.506 -9.515 489 HG12 VAL 68 2HG1 VAL 68 8.780 -2.140 -7.871 490 HG13 VAL 68 3HG1 VAL 68 9.162 -3.703 -8.595 491 HG21 VAL 68 1HG2 VAL 68 6.321 -5.362 -7.339 492 HG22 VAL 68 2HG2 VAL 68 7.531 -5.492 -8.615 493 HG23 VAL 68 3HG2 VAL 68 8.028 -5.133 -6.961 494 H LEU 69 H LEU 69 4.797 -1.584 -7.930 495 HA LEU 69 HA LEU 69 5.794 1.120 -7.413 496 HB2 LEU 69 1HB LEU 69 5.028 0.064 -10.131 497 HB3 LEU 69 2HB LEU 69 5.343 1.757 -9.756 498 HG LEU 69 HG LEU 69 7.395 -0.432 -9.469 499 HD11 LEU 69 1HD1 LEU 69 6.699 -0.218 -11.805 500 HD12 LEU 69 2HD1 LEU 69 8.342 0.372 -11.558 501 HD13 LEU 69 3HD1 LEU 69 7.013 1.516 -11.738 502 HD21 LEU 69 1HD2 LEU 69 7.771 1.559 -8.094 503 HD22 LEU 69 2HD2 LEU 69 7.643 2.574 -9.531 504 HD23 LEU 69 3HD2 LEU 69 8.971 1.422 -9.380 505 H ILE 70 H ILE 70 4.220 2.657 -7.179 506 HA ILE 70 HA ILE 70 1.455 1.660 -7.200 507 HB ILE 70 HB ILE 70 2.649 3.988 -5.691 508 HG12 ILE 70 1HG1 ILE 70 1.429 1.529 -4.474 509 HG13 ILE 70 2HG1 ILE 70 3.108 1.516 -5.003 510 HG21 ILE 70 1HG2 ILE 70 -0.140 2.876 -5.467 511 HG22 ILE 70 2HG2 ILE 70 0.514 4.313 -4.683 512 HG23 ILE 70 3HG2 ILE 70 0.275 4.293 -6.430 513 HD11 ILE 70 1HD1 ILE 70 1.889 2.734 -2.656 514 HD12 ILE 70 2HD1 ILE 70 3.559 2.246 -2.950 515 HD13 ILE 70 3HD1 ILE 70 2.983 3.810 -3.526 516 H ASN 71 H ASN 71 0.605 2.129 -9.149 517 HA ASN 71 HA ASN 71 -0.264 3.349 -10.860 518 HB2 ASN 71 1HB ASN 71 0.303 5.750 -9.107 519 HB3 ASN 71 2HB ASN 71 -0.815 5.683 -10.466 520 HD21 ASN 71 1HD2 ASN 71 -2.703 6.057 -9.480 521 HD22 ASN 71 2HD2 ASN 71 -3.370 5.075 -8.225 522 H GLY 72 H GLY 72 2.600 2.768 -10.723 523 HA2 GLY 72 1HA GLY 72 4.308 3.120 -12.257 524 HA3 GLY 72 2HA GLY 72 3.431 4.514 -12.871 525 H ARG 73 H ARG 73 4.422 3.899 -9.533 526 HA ARG 73 HA ARG 73 6.384 6.073 -9.749 527 HB2 ARG 73 1HB ARG 73 4.140 5.847 -7.749 528 HB3 ARG 73 2HB ARG 73 5.568 6.829 -7.449 529 HG2 ARG 73 1HG ARG 73 3.936 7.204 -9.930 530 HG3 ARG 73 2HG ARG 73 3.472 7.960 -8.404 531 HD2 ARG 73 1HD ARG 73 5.923 8.796 -8.358 532 HD3 ARG 73 2HD ARG 73 5.910 8.418 -10.080 533 HE ARG 73 HE ARG 73 3.668 10.004 -9.382 534 HH11 ARG 73 2HH1 ARG 73 7.105 10.176 -9.911 535 HH12 ARG 73 1HH1 ARG 73 7.080 11.842 -10.386 536 HH21 ARG 73 2HH2 ARG 73 3.623 12.198 -10.006 537 HH22 ARG 73 1HH2 ARG 73 5.100 12.991 -10.439 538 H ASP 74 H ASP 74 8.196 5.841 -8.508 539 HA ASP 74 HA ASP 74 8.845 3.239 -7.591 540 HB2 ASP 74 1HB ASP 74 10.293 5.852 -7.109 541 HB3 ASP 74 2HB ASP 74 10.965 4.243 -6.860 542 H ILE 75 H ILE 75 8.160 2.337 -5.775 543 HA ILE 75 HA ILE 75 7.882 4.034 -3.381 544 HB ILE 75 HB ILE 75 6.032 2.647 -2.627 545 HG12 ILE 75 1HG1 ILE 75 5.060 1.173 -4.643 546 HG13 ILE 75 2HG1 ILE 75 6.773 1.063 -5.033 547 HG21 ILE 75 1HG2 ILE 75 5.947 4.200 -5.110 548 HG22 ILE 75 2HG2 ILE 75 4.568 3.128 -4.868 549 HG23 ILE 75 3HG2 ILE 75 4.969 4.337 -3.649 550 HD11 ILE 75 1HD1 ILE 75 6.201 -0.818 -3.705 551 HD12 ILE 75 2HD1 ILE 75 7.164 0.267 -2.701 552 HD13 ILE 75 3HD1 ILE 75 5.414 0.199 -2.497 553 H ALA 76 H ALA 76 9.402 1.401 -4.802 554 HA ALA 76 HA ALA 76 9.766 -0.197 -2.441 555 HB1 ALA 76 1HB ALA 76 10.057 -0.641 -5.143 556 HB2 ALA 76 2HB ALA 76 11.720 -0.615 -4.554 557 HB3 ALA 76 3HB ALA 76 10.553 -1.735 -3.852 558 H GLU 77 H GLU 77 11.040 2.712 -3.457 559 HA GLU 77 HA GLU 77 13.562 2.277 -2.003 560 HB2 GLU 77 1HB GLU 77 12.797 4.053 -4.275 561 HB3 GLU 77 2HB GLU 77 14.041 4.611 -3.165 562 HG2 GLU 77 1HG GLU 77 15.159 3.558 -4.947 563 HG3 GLU 77 2HG GLU 77 15.239 2.443 -3.584 564 H HIS 78 H HIS 78 10.730 2.992 -1.061 565 HA HIS 78 HA HIS 78 11.538 5.317 0.557 566 HB2 HIS 78 1HB HIS 78 8.787 4.703 -0.541 567 HB3 HIS 78 2HB HIS 78 9.141 5.989 0.608 568 HD1 HIS 78 1HD HIS 78 9.058 8.136 -0.601 569 HD2 HIS 78 2HD HIS 78 10.855 5.160 -2.876 570 HE1 HIS 78 1HE HIS 78 9.783 9.262 -2.730 571 HE2 HIS 78 2HE HIS 78 10.791 7.424 -4.126 572 H THR 79 H THR 79 10.612 5.418 2.692 573 HA THR 79 HA THR 79 10.595 2.875 3.985 574 HB THR 79 HB THR 79 10.084 4.186 6.050 575 HG1 THR 79 1HG THR 79 10.387 6.505 4.449 576 HG21 THR 79 1HG2 THR 79 12.292 5.630 4.656 577 HG22 THR 79 2HG2 THR 79 12.422 3.885 4.878 578 HG23 THR 79 3HG2 THR 79 12.245 4.942 6.279 579 H HIS 80 H HIS 80 8.825 2.454 5.700 580 HA HIS 80 HA HIS 80 6.463 1.770 4.422 581 HB2 HIS 80 1HB HIS 80 7.066 0.676 6.468 582 HB3 HIS 80 2HB HIS 80 7.040 2.196 7.356 583 HD1 HIS 80 1HD HIS 80 4.850 -0.529 6.121 584 HD2 HIS 80 2HD HIS 80 4.447 3.166 7.977 585 HE1 HIS 80 1HE HIS 80 2.477 -0.448 6.949 586 HE2 HIS 80 2HE HIS 80 2.231 1.831 7.993 587 H ASP 81 H ASP 81 7.016 4.495 6.650 588 HA ASP 81 HA ASP 81 4.523 5.631 6.661 589 HB2 ASP 81 1HB ASP 81 5.944 7.874 6.715 590 HB3 ASP 81 2HB ASP 81 5.951 6.747 8.068 591 H GLN 82 H GLN 82 7.140 6.679 4.470 592 HA GLN 82 HA GLN 82 5.801 8.389 2.855 593 HB2 GLN 82 1HB GLN 82 8.017 6.468 2.368 594 HB3 GLN 82 2HB GLN 82 7.276 7.220 0.962 595 HG2 GLN 82 1HG GLN 82 9.267 8.419 1.774 596 HG3 GLN 82 2HG GLN 82 7.809 9.409 1.778 597 HE21 GLN 82 1HE2 GLN 82 6.815 9.900 3.768 598 HE22 GLN 82 2HE2 GLN 82 7.696 9.820 5.252 599 H VAL 83 H VAL 83 6.114 4.916 2.092 600 HA VAL 83 HA VAL 83 4.477 4.734 -0.074 601 HB VAL 83 HB VAL 83 4.634 2.751 2.201 602 HG11 VAL 83 1HG1 VAL 83 2.944 1.751 1.123 603 HG12 VAL 83 2HG1 VAL 83 3.157 2.738 -0.325 604 HG13 VAL 83 3HG1 VAL 83 4.164 1.312 -0.072 605 HG21 VAL 83 1HG2 VAL 83 6.213 3.044 -0.349 606 HG22 VAL 83 2HG2 VAL 83 6.814 3.171 1.304 607 HG23 VAL 83 3HG2 VAL 83 6.261 1.615 0.684 608 H VAL 84 H VAL 84 3.333 4.114 3.252 609 HA VAL 84 HA VAL 84 0.662 3.867 2.829 610 HB VAL 84 HB VAL 84 2.093 5.233 5.099 611 HG11 VAL 84 1HG1 VAL 84 -0.261 4.675 6.213 612 HG12 VAL 84 2HG1 VAL 84 0.083 6.232 5.456 613 HG13 VAL 84 3HG1 VAL 84 -0.813 4.997 4.569 614 HG21 VAL 84 1HG2 VAL 84 2.526 3.098 5.590 615 HG22 VAL 84 2HG2 VAL 84 0.821 2.968 6.020 616 HG23 VAL 84 3HG2 VAL 84 1.362 2.503 4.407 617 H LEU 85 H LEU 85 2.274 6.976 3.518 618 HA LEU 85 HA LEU 85 0.047 8.609 3.147 619 HB2 LEU 85 1HB LEU 85 2.987 9.001 3.072 620 HB3 LEU 85 2HB LEU 85 1.977 10.280 2.401 621 HG LEU 85 HG LEU 85 0.791 10.387 4.601 622 HD11 LEU 85 1HD1 LEU 85 1.433 9.180 6.429 623 HD12 LEU 85 2HD1 LEU 85 3.078 8.948 5.840 624 HD13 LEU 85 3HD1 LEU 85 1.756 8.000 5.159 625 HD21 LEU 85 1HD2 LEU 85 2.350 11.831 5.535 626 HD22 LEU 85 2HD2 LEU 85 2.807 11.804 3.832 627 HD23 LEU 85 3HD2 LEU 85 3.721 10.856 5.006 628 H PHE 86 H PHE 86 2.263 7.212 0.826 629 HA PHE 86 HA PHE 86 1.660 8.780 -1.406 630 HB2 PHE 86 1HB PHE 86 3.415 6.839 -1.020 631 HB3 PHE 86 2HB PHE 86 2.149 5.851 -1.742 632 HD1 PHE 86 2HD PHE 86 1.046 7.211 -3.884 633 HD2 PHE 86 1HD PHE 86 5.060 7.431 -2.487 634 HE1 PHE 86 2HE PHE 86 1.784 7.904 -6.126 635 HE2 PHE 86 1HE PHE 86 5.805 8.125 -4.727 636 HZ PHE 86 HZ PHE 86 4.167 8.361 -6.550 637 H ILE 87 H ILE 87 0.177 5.744 -0.298 638 HA ILE 87 HA ILE 87 -1.809 5.776 -2.372 639 HB ILE 87 HB ILE 87 -1.900 4.136 0.154 640 HG12 ILE 87 1HG1 ILE 87 -0.669 3.169 -2.408 641 HG13 ILE 87 2HG1 ILE 87 0.302 4.060 -1.241 642 HG21 ILE 87 1HG2 ILE 87 -3.606 3.047 -0.785 643 HG22 ILE 87 2HG2 ILE 87 -3.691 4.391 -1.922 644 HG23 ILE 87 3HG2 ILE 87 -2.787 2.936 -2.342 645 HD11 ILE 87 1HD1 ILE 87 -1.240 1.566 -0.582 646 HD12 ILE 87 2HD1 ILE 87 0.461 1.590 -1.050 647 HD13 ILE 87 3HD1 ILE 87 -0.059 2.400 0.428 648 H LYS 88 H LYS 88 -1.854 6.311 1.146 649 HA LYS 88 HA LYS 88 -4.533 6.816 1.518 650 HB2 LYS 88 1HB LYS 88 -2.083 7.947 2.846 651 HB3 LYS 88 2HB LYS 88 -3.696 8.439 3.348 652 HG2 LYS 88 1HG LYS 88 -4.250 6.115 3.856 653 HG3 LYS 88 2HG LYS 88 -2.632 5.620 3.350 654 HD2 LYS 88 1HD LYS 88 -2.331 5.783 5.619 655 HD3 LYS 88 2HD LYS 88 -1.883 7.415 5.119 656 HE2 LYS 88 1HE LYS 88 -4.349 8.000 5.519 657 HE3 LYS 88 2HE LYS 88 -4.432 6.470 6.391 658 HZ1 LYS 88 1HZ LYS 88 -3.928 7.964 8.047 659 HZ2 LYS 88 2HZ LYS 88 -2.923 8.905 7.065 660 HZ3 LYS 88 3HZ LYS 88 -2.387 7.403 7.632 661 H ALA 89 H ALA 89 -2.014 9.194 0.690 662 HA ALA 89 HA ALA 89 -3.309 11.535 0.624 663 HB1 ALA 89 1HB ALA 89 -1.121 11.631 -0.123 664 HB2 ALA 89 2HB ALA 89 -1.370 10.372 -1.333 665 HB3 ALA 89 3HB ALA 89 -2.038 11.984 -1.588 666 H SER 90 H SER 90 -3.580 9.077 -1.931 667 HA SER 90 HA SER 90 -5.122 10.290 -3.788 668 HB2 SER 90 1HB SER 90 -4.436 7.957 -3.991 669 HB3 SER 90 2HB SER 90 -5.538 7.497 -2.693 670 HG SER 90 HG SER 90 -6.088 7.544 -5.223 671 H CYS 91 H CYS 91 -6.322 8.879 -0.759 672 HA CYS 91 HA CYS 91 -9.012 9.152 -1.011 673 HB2 CYS 91 1HB CYS 91 -7.626 8.376 1.017 674 HB3 CYS 91 2HB CYS 91 -7.631 10.067 1.503 675 HG CYS 91 HG CYS 91 -10.697 9.601 0.947 676 H GLU 92 H GLU 92 -6.814 11.728 0.100 677 HA GLU 92 HA GLU 92 -8.958 13.684 -0.187 678 HB2 GLU 92 1HB GLU 92 -6.201 13.771 1.012 679 HB3 GLU 92 2HB GLU 92 -7.102 15.247 0.695 680 HG2 GLU 92 1HG GLU 92 -8.983 14.066 2.048 681 HG3 GLU 92 2HG GLU 92 -7.659 13.075 2.658 682 H ARG 93 H ARG 93 -8.125 12.533 -2.592 683 HA ARG 93 HA ARG 93 -7.415 14.896 -4.062 684 HB2 ARG 93 1HB ARG 93 -5.453 12.683 -3.663 685 HB3 ARG 93 2HB ARG 93 -5.528 13.455 -5.242 686 HG2 ARG 93 1HG ARG 93 -5.384 15.651 -3.785 687 HG3 ARG 93 2HG ARG 93 -4.629 14.546 -2.634 688 HD2 ARG 93 1HD ARG 93 -2.850 15.414 -3.892 689 HD3 ARG 93 2HD ARG 93 -3.143 13.811 -4.567 690 HE ARG 93 HE ARG 93 -4.631 15.364 -6.164 691 HH11 ARG 93 2HH1 ARG 93 -1.340 15.648 -5.064 692 HH12 ARG 93 1HH1 ARG 93 -0.798 16.471 -6.489 693 HH21 ARG 93 2HH2 ARG 93 -3.929 16.446 -8.045 694 HH22 ARG 93 1HH2 ARG 93 -2.271 16.925 -8.183 695 H HIS 94 H HIS 94 -8.922 14.835 -5.588 696 HA HIS 94 HA HIS 94 -10.175 12.455 -6.485 697 HB2 HIS 94 1HB HIS 94 -11.399 14.530 -6.537 698 HB3 HIS 94 2HB HIS 94 -10.197 15.268 -7.592 699 HD1 HIS 94 1HD HIS 94 -11.116 15.496 -9.864 700 HD2 HIS 94 2HD HIS 94 -12.393 11.988 -8.042 701 HE1 HIS 94 1HE HIS 94 -12.544 14.332 -11.575 702 HE2 HIS 94 2HE HIS 94 -13.375 12.253 -10.420 703 H SER 95 H SER 95 -9.075 10.967 -7.595 704 HA SER 95 HA SER 95 -7.309 11.870 -9.772 705 HB2 SER 95 1HB SER 95 -6.259 10.531 -7.918 706 HB3 SER 95 2HB SER 95 -7.276 9.173 -8.401 707 HG SER 95 HG SER 95 -4.972 9.587 -9.329 708 H GLY 96 H GLY 96 -9.417 9.110 -8.934 709 HA2 GLY 96 1HA GLY 96 -11.342 8.858 -10.563 710 HA3 GLY 96 2HA GLY 96 -10.095 8.904 -11.800 711 H GLU 97 H GLU 97 -8.212 7.258 -11.184 712 HA GLU 97 HA GLU 97 -9.340 4.759 -10.175 713 HB2 GLU 97 1HB GLU 97 -8.247 5.168 -12.952 714 HB3 GLU 97 2HB GLU 97 -8.304 3.582 -12.197 715 HG2 GLU 97 1HG GLU 97 -10.648 3.572 -12.137 716 HG3 GLU 97 2HG GLU 97 -10.745 5.302 -12.459 717 H LEU 98 H LEU 98 -7.829 3.321 -9.361 718 HA LEU 98 HA LEU 98 -5.060 4.324 -9.251 719 HB2 LEU 98 1HB LEU 98 -5.828 4.572 -7.081 720 HB3 LEU 98 2HB LEU 98 -6.818 3.116 -7.160 721 HG LEU 98 HG LEU 98 -3.839 2.881 -7.223 722 HD11 LEU 98 1HD1 LEU 98 -5.096 4.260 -5.192 723 HD12 LEU 98 2HD1 LEU 98 -3.527 3.462 -5.097 724 HD13 LEU 98 3HD1 LEU 98 -4.980 2.614 -4.568 725 HD21 LEU 98 1HD2 LEU 98 -4.486 0.751 -7.340 726 HD22 LEU 98 2HD2 LEU 98 -6.152 1.149 -6.921 727 HD23 LEU 98 3HD2 LEU 98 -4.955 0.911 -5.647 728 H MET 99 H MET 99 -3.394 2.881 -9.518 729 HA MET 99 HA MET 99 -4.128 0.092 -10.098 730 HB2 MET 99 1HB MET 99 -2.382 1.936 -11.719 731 HB3 MET 99 2HB MET 99 -2.290 0.187 -11.872 732 HG2 MET 99 1HG MET 99 -4.367 0.023 -12.840 733 HG3 MET 99 2HG MET 99 -4.930 1.538 -12.139 734 HE1 MET 99 1HE MET 99 -3.210 -0.093 -15.348 735 HE2 MET 99 2HE MET 99 -4.940 0.117 -15.082 736 HE3 MET 99 3HE MET 99 -4.116 1.067 -16.320 737 H LEU 100 H LEU 100 -2.704 -1.464 -9.420 738 HA LEU 100 HA LEU 100 -0.289 -0.530 -8.018 739 HB2 LEU 100 1HB LEU 100 -1.835 -2.921 -7.101 740 HB3 LEU 100 2HB LEU 100 -0.677 -1.936 -6.209 741 HG LEU 100 HG LEU 100 -3.454 -1.051 -6.992 742 HD11 LEU 100 1HD1 LEU 100 -3.475 -2.880 -5.349 743 HD12 LEU 100 2HD1 LEU 100 -4.034 -1.355 -4.662 744 HD13 LEU 100 3HD1 LEU 100 -2.408 -1.939 -4.307 745 HD21 LEU 100 1HD2 LEU 100 -1.179 0.232 -5.544 746 HD22 LEU 100 2HD2 LEU 100 -2.838 0.641 -5.106 747 HD23 LEU 100 3HD2 LEU 100 -2.268 0.910 -6.754 748 H LEU 101 H LEU 101 1.517 -1.398 -8.777 749 HA LEU 101 HA LEU 101 1.368 -3.689 -10.563 750 HB2 LEU 101 1HB LEU 101 2.728 -1.490 -10.889 751 HB3 LEU 101 2HB LEU 101 3.903 -2.281 -9.840 752 HG LEU 101 HG LEU 101 4.178 -4.076 -11.436 753 HD11 LEU 101 1HD1 LEU 101 1.801 -2.825 -12.676 754 HD12 LEU 101 2HD1 LEU 101 2.256 -4.523 -12.549 755 HD13 LEU 101 3HD1 LEU 101 3.017 -3.495 -13.762 756 HD21 LEU 101 1HD2 LEU 101 5.739 -2.550 -12.034 757 HD22 LEU 101 2HD2 LEU 101 4.559 -1.253 -12.227 758 HD23 LEU 101 3HD2 LEU 101 4.755 -2.464 -13.495 759 H VAL 102 H VAL 102 1.237 -5.571 -9.482 760 HA VAL 102 HA VAL 102 3.099 -6.034 -7.252 761 HB VAL 102 HB VAL 102 1.664 -7.816 -6.519 762 HG11 VAL 102 1HG1 VAL 102 0.533 -5.138 -7.028 763 HG12 VAL 102 2HG1 VAL 102 -0.613 -6.391 -6.548 764 HG13 VAL 102 3HG1 VAL 102 0.761 -6.006 -5.510 765 HG21 VAL 102 1HG2 VAL 102 0.525 -7.526 -9.224 766 HG22 VAL 102 2HG2 VAL 102 0.730 -8.966 -8.226 767 HG23 VAL 102 3HG2 VAL 102 -0.625 -7.877 -7.934 768 H ARG 103 H ARG 103 4.196 -8.072 -7.121 769 HA ARG 103 HA ARG 103 4.906 -9.102 -9.767 770 HB2 ARG 103 1HB ARG 103 6.556 -8.269 -7.869 771 HB3 ARG 103 2HB ARG 103 6.355 -9.916 -7.289 772 HG2 ARG 103 1HG ARG 103 7.047 -9.455 -10.150 773 HG3 ARG 103 2HG ARG 103 8.299 -9.307 -8.916 774 HD2 ARG 103 1HD ARG 103 6.519 -11.716 -9.262 775 HD3 ARG 103 2HD ARG 103 8.141 -11.572 -9.939 776 HE ARG 103 HE ARG 103 8.174 -11.087 -7.149 777 HH11 ARG 103 2HH1 ARG 103 7.904 -13.646 -9.493 778 HH12 ARG 103 1HH1 ARG 103 8.563 -14.856 -8.442 779 HH21 ARG 103 2HH2 ARG 103 9.043 -12.670 -5.755 780 HH22 ARG 103 1HH2 ARG 103 9.210 -14.299 -6.316 781 HA PRO 104 HA PRO 104 2.630 -12.822 -9.077 782 HB2 PRO 104 1HB PRO 104 3.794 -14.332 -11.010 783 HB3 PRO 104 2HB PRO 104 2.627 -13.053 -11.363 784 HG2 PRO 104 1HG PRO 104 5.616 -12.982 -11.506 785 HG3 PRO 104 2HG PRO 104 4.426 -12.326 -12.644 786 HD2 PRO 104 1HD PRO 104 5.718 -10.780 -10.835 787 HD3 PRO 104 2HD PRO 104 4.059 -10.441 -11.370 788 H ASN 105 H ASN 105 2.864 -14.572 -7.800 789 HA ASN 105 HA ASN 105 5.503 -15.148 -6.739 790 HB2 ASN 105 1HB ASN 105 2.698 -15.776 -5.940 791 HB3 ASN 105 2HB ASN 105 3.978 -16.845 -5.373 792 HD21 ASN 105 1HD2 ASN 105 6.027 -15.224 -4.844 793 HD22 ASN 105 2HD2 ASN 105 5.612 -14.076 -3.621 794 H ALA 106 H ALA 106 2.933 -16.819 -8.506 795 HA ALA 106 HA ALA 106 4.874 -18.642 -9.635 796 HB1 ALA 106 1HB ALA 106 4.220 -20.596 -8.683 797 HB2 ALA 106 2HB ALA 106 3.855 -19.515 -7.337 798 HB3 ALA 106 3HB ALA 106 2.566 -20.044 -8.418 799 H VAL 107 H VAL 107 3.938 -19.998 -11.342 800 HA VAL 107 HA VAL 107 1.600 -18.685 -12.561 801 HB VAL 107 HB VAL 107 3.796 -18.563 -13.794 802 HG11 VAL 107 1HG1 VAL 107 4.412 -20.947 -13.166 803 HG12 VAL 107 2HG1 VAL 107 3.311 -21.457 -14.448 804 HG13 VAL 107 3HG1 VAL 107 4.717 -20.464 -14.835 805 HG21 VAL 107 1HG2 VAL 107 2.766 -18.664 -15.863 806 HG22 VAL 107 2HG2 VAL 107 1.818 -20.090 -15.439 807 HG23 VAL 107 3HG2 VAL 107 1.387 -18.514 -14.773 808 H TYR 108 H TYR 108 -0.093 -19.887 -13.326 809 HA TYR 108 HA TYR 108 0.040 -22.801 -12.956 810 HB2 TYR 108 1HB TYR 108 -2.120 -20.926 -11.991 811 HB3 TYR 108 2HB TYR 108 -2.365 -22.662 -12.154 812 HD1 TYR 108 2HD TYR 108 -0.327 -20.100 -10.409 813 HD2 TYR 108 1HD TYR 108 -1.644 -24.146 -10.473 814 HE1 TYR 108 2HE TYR 108 0.618 -20.438 -8.164 815 HE2 TYR 108 1HE TYR 108 -0.704 -24.494 -8.227 816 HH TYR 108 HH TYR 108 -0.124 -22.470 -6.142 817 H ASP 109 H ASP 109 -0.860 -23.990 -14.545 818 HA ASP 109 HA ASP 109 -2.036 -22.524 -16.797 819 HB2 ASP 109 1HB ASP 109 -1.627 -24.802 -17.965 820 HB3 ASP 109 2HB ASP 109 -0.240 -23.778 -17.605 821 H VAL 110 H VAL 110 -4.183 -22.359 -16.470 822 HA VAL 110 HA VAL 110 -5.681 -24.676 -15.509 823 HB VAL 110 HB VAL 110 -6.612 -21.853 -16.053 824 HG11 VAL 110 1HG1 VAL 110 -8.214 -23.984 -16.107 825 HG12 VAL 110 2HG1 VAL 110 -8.169 -23.722 -14.363 826 HG13 VAL 110 3HG1 VAL 110 -8.718 -22.433 -15.436 827 HG21 VAL 110 1HG2 VAL 110 -4.988 -22.588 -14.049 828 HG22 VAL 110 2HG2 VAL 110 -6.212 -21.329 -13.886 829 HG23 VAL 110 3HG2 VAL 110 -6.547 -22.963 -13.315 830 H VAL 111 H VAL 111 -6.304 -26.090 -17.001 831 HA VAL 111 HA VAL 111 -7.087 -25.098 -19.659 832 HB VAL 111 HB VAL 111 -5.233 -26.766 -19.581 833 HG11 VAL 111 1HG1 VAL 111 -7.393 -28.442 -18.350 834 HG12 VAL 111 2HG1 VAL 111 -6.048 -29.176 -19.224 835 HG13 VAL 111 3HG1 VAL 111 -5.739 -28.184 -17.798 836 HG21 VAL 111 1HG2 VAL 111 -6.555 -26.517 -21.592 837 HG22 VAL 111 2HG2 VAL 111 -6.157 -28.218 -21.351 838 HG23 VAL 111 3HG2 VAL 111 -7.773 -27.627 -20.964 839 H GLU 112 H GLU 112 -8.937 -26.044 -20.692 840 HA GLU 112 HA GLU 112 -11.030 -26.728 -18.761 841 HB2 GLU 112 1HB GLU 112 -11.141 -24.853 -20.614 842 HB3 GLU 112 2HB GLU 112 -11.592 -26.201 -21.648 843 HG2 GLU 112 1HG GLU 112 -13.575 -25.138 -20.837 844 HG3 GLU 112 2HG GLU 112 -13.435 -26.731 -20.095 845 H GLU 113 H GLU 113 -11.240 -28.845 -18.426 846 HA GLU 113 HA GLU 113 -10.359 -30.911 -20.033 847 HB2 GLU 113 1HB GLU 113 -11.923 -32.355 -18.766 848 HB3 GLU 113 2HB GLU 113 -10.987 -31.288 -17.730 849 HG2 GLU 113 1HG GLU 113 -12.858 -29.834 -17.422 850 HG3 GLU 113 2HG GLU 113 -13.800 -30.713 -18.625 851 H SER 114 H SER 114 -13.376 -29.135 -20.159 852 HA SER 114 HA SER 114 -14.026 -30.535 -22.661 853 HB2 SER 114 1HB SER 114 -16.457 -30.348 -22.017 854 HB3 SER 114 2HB SER 114 -15.524 -31.483 -21.041 855 HG SER 114 HG SER 114 -16.276 -28.838 -20.342 856 H GLY 115 H GLY 115 -13.356 -28.871 -23.969 857 HA2 GLY 115 1HA GLY 115 -15.076 -26.496 -23.931 858 HA3 GLY 115 2HA GLY 115 -13.335 -26.256 -23.896 859 HA PRO 116 HA PRO 116 -13.119 -26.447 -28.264 860 HB2 PRO 116 1HB PRO 116 -10.824 -27.829 -28.702 861 HB3 PRO 116 2HB PRO 116 -10.845 -26.174 -28.082 862 HG2 PRO 116 1HG PRO 116 -10.523 -28.751 -26.592 863 HG3 PRO 116 2HG PRO 116 -9.643 -27.225 -26.391 864 HD2 PRO 116 1HD PRO 116 -11.662 -27.968 -24.749 865 HD3 PRO 116 2HD PRO 116 -11.329 -26.270 -25.144 866 H SER 117 H SER 117 -13.732 -27.679 -29.995 867 HA SER 117 HA SER 117 -14.662 -30.363 -29.405 868 HB2 SER 117 1HB SER 117 -15.676 -30.213 -31.695 869 HB3 SER 117 2HB SER 117 -16.193 -28.931 -30.600 870 HG SER 117 HG SER 117 -13.977 -28.522 -32.277 871 H SER 118 H SER 118 -13.407 -32.067 -29.705 872 HA SER 118 HA SER 118 -11.510 -32.043 -31.959 873 HB2 SER 118 1HB SER 118 -10.432 -31.793 -29.670 874 HB3 SER 118 2HB SER 118 -10.985 -33.432 -29.328 875 HG SER 118 HG SER 118 -9.367 -32.726 -31.548 876 H GLY 119 H GLY 119 -12.971 -34.280 -29.586 877 HA2 GLY 119 1HA GLY 119 -14.319 -36.136 -30.054 878 HA3 GLY 119 2HA GLY 119 -13.966 -35.932 -31.764 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.429 18.917 -14.002 2 HA2 GLY 1 1HA GLY 1 -0.946 18.078 -16.456 3 HA3 GLY 1 2HA GLY 1 0.655 17.867 -15.763 4 H SER 2 H SER 2 -0.901 15.776 -16.840 5 HA SER 2 HA SER 2 -1.100 14.079 -14.470 6 HB2 SER 2 1HB SER 2 -3.328 14.642 -16.398 7 HB3 SER 2 2HB SER 2 -3.219 13.061 -15.624 8 HG SER 2 HG SER 2 -4.364 15.092 -14.606 9 H SER 3 H SER 3 -0.048 12.235 -14.783 10 HA SER 3 HA SER 3 0.303 11.267 -17.544 11 HB2 SER 3 1HB SER 3 2.436 12.096 -16.954 12 HB3 SER 3 2HB SER 3 2.322 11.461 -15.313 13 HG SER 3 HG SER 3 3.631 10.287 -17.022 14 H GLY 4 H GLY 4 -0.410 9.268 -17.884 15 HA2 GLY 4 1HA GLY 4 -0.534 7.412 -15.596 16 HA3 GLY 4 2HA GLY 4 -1.929 7.632 -16.642 17 H SER 5 H SER 5 -0.977 7.590 -19.130 18 HA SER 5 HA SER 5 0.894 5.423 -19.507 19 HB2 SER 5 1HB SER 5 -1.977 5.053 -20.392 20 HB3 SER 5 2HB SER 5 -0.647 3.921 -20.635 21 HG SER 5 HG SER 5 -0.534 4.084 -18.183 22 H SER 6 H SER 6 1.745 5.360 -21.561 23 HA SER 6 HA SER 6 1.264 7.703 -23.180 24 HB2 SER 6 1HB SER 6 3.560 7.004 -22.850 25 HB3 SER 6 2HB SER 6 3.204 5.401 -23.493 26 HG SER 6 HG SER 6 3.336 7.868 -24.855 27 H GLY 7 H GLY 7 -0.422 7.710 -24.520 28 HA2 GLY 7 1HA GLY 7 -1.018 6.832 -26.787 29 HA3 GLY 7 2HA GLY 7 -0.985 5.240 -26.043 30 H ASN 8 H ASN 8 -3.166 4.986 -26.812 31 HA ASN 8 HA ASN 8 -5.138 6.457 -25.189 32 HB2 ASN 8 1HB ASN 8 -5.235 5.424 -28.002 33 HB3 ASN 8 2HB ASN 8 -6.729 5.585 -27.083 34 HD21 ASN 8 1HD2 ASN 8 -3.887 7.352 -28.183 35 HD22 ASN 8 2HD2 ASN 8 -4.657 8.897 -28.267 36 H GLY 9 H GLY 9 -4.659 3.315 -26.818 37 HA2 GLY 9 1HA GLY 9 -6.600 1.977 -25.212 38 HA3 GLY 9 2HA GLY 9 -5.426 1.213 -26.274 39 H GLY 10 H GLY 10 -3.036 1.937 -25.207 40 HA2 GLY 10 1HA GLY 10 -1.543 1.213 -23.617 41 HA3 GLY 10 2HA GLY 10 -2.690 1.890 -22.470 42 H ILE 11 H ILE 11 -1.930 -1.026 -24.327 43 HA ILE 11 HA ILE 11 -3.745 -2.773 -23.149 44 HB ILE 11 HB ILE 11 -2.249 -4.587 -23.804 45 HG12 ILE 11 1HG1 ILE 11 -0.248 -2.461 -24.580 46 HG13 ILE 11 2HG1 ILE 11 -0.149 -3.377 -23.080 47 HG21 ILE 11 1HG2 ILE 11 -3.294 -4.146 -25.733 48 HG22 ILE 11 2HG2 ILE 11 -3.038 -2.409 -25.581 49 HG23 ILE 11 3HG2 ILE 11 -1.761 -3.434 -26.235 50 HD11 ILE 11 1HD1 ILE 11 -0.010 -4.483 -25.873 51 HD12 ILE 11 2HD1 ILE 11 1.316 -4.340 -24.719 52 HD13 ILE 11 3HD1 ILE 11 -0.015 -5.453 -24.401 53 HA PRO 12 HA PRO 12 -2.372 -3.242 -18.993 54 HB2 PRO 12 1HB PRO 12 -3.409 -5.695 -18.469 55 HB3 PRO 12 2HB PRO 12 -4.402 -4.239 -18.593 56 HG2 PRO 12 1HG PRO 12 -3.904 -6.372 -20.633 57 HG3 PRO 12 2HG PRO 12 -5.425 -5.566 -20.205 58 HD2 PRO 12 1HD PRO 12 -3.977 -4.881 -22.389 59 HD3 PRO 12 2HD PRO 12 -4.941 -3.704 -21.474 60 H HIS 13 H HIS 13 -0.891 -4.399 -17.695 61 HA HIS 13 HA HIS 13 1.258 -5.599 -19.133 62 HB2 HIS 13 1HB HIS 13 0.741 -5.290 -16.172 63 HB3 HIS 13 2HB HIS 13 2.229 -5.953 -16.840 64 HD1 HIS 13 1HD HIS 13 4.029 -4.283 -17.020 65 HD2 HIS 13 2HD HIS 13 0.276 -2.536 -17.375 66 HE1 HIS 13 1HE HIS 13 4.456 -1.818 -17.274 67 HE2 HIS 13 2HE HIS 13 2.168 -0.772 -17.402 68 H ASP 14 H ASP 14 2.084 -7.719 -18.924 69 HA ASP 14 HA ASP 14 0.026 -9.709 -18.235 70 HB2 ASP 14 1HB ASP 14 2.360 -9.929 -20.149 71 HB3 ASP 14 2HB ASP 14 1.223 -11.224 -19.787 72 H ASN 15 H ASN 15 3.588 -9.568 -18.439 73 HA ASN 15 HA ASN 15 4.159 -11.660 -16.740 74 HB2 ASN 15 1HB ASN 15 5.692 -9.091 -17.184 75 HB3 ASN 15 2HB ASN 15 6.340 -10.482 -16.320 76 HD21 ASN 15 1HD2 ASN 15 6.358 -8.968 -19.186 77 HD22 ASN 15 2HD2 ASN 15 6.704 -10.297 -20.235 78 H LEU 16 H LEU 16 3.705 -8.239 -15.898 79 HA LEU 16 HA LEU 16 3.842 -8.890 -13.059 80 HB2 LEU 16 1HB LEU 16 3.880 -6.383 -14.666 81 HB3 LEU 16 2HB LEU 16 3.352 -6.301 -12.987 82 HG LEU 16 HG LEU 16 6.024 -7.378 -13.879 83 HD11 LEU 16 1HD1 LEU 16 6.417 -5.200 -14.319 84 HD12 LEU 16 2HD1 LEU 16 6.611 -5.113 -12.569 85 HD13 LEU 16 3HD1 LEU 16 5.083 -4.640 -13.310 86 HD21 LEU 16 1HD2 LEU 16 4.653 -7.042 -11.265 87 HD22 LEU 16 2HD2 LEU 16 6.389 -6.737 -11.338 88 HD23 LEU 16 3HD2 LEU 16 5.749 -8.310 -11.816 89 H VAL 17 H VAL 17 2.154 -8.592 -11.616 90 HA VAL 17 HA VAL 17 -0.498 -8.784 -12.789 91 HB VAL 17 HB VAL 17 0.413 -9.040 -9.920 92 HG11 VAL 17 1HG1 VAL 17 -1.740 -8.618 -9.454 93 HG12 VAL 17 2HG1 VAL 17 -2.249 -8.855 -11.127 94 HG13 VAL 17 3HG1 VAL 17 -2.027 -10.247 -10.066 95 HG21 VAL 17 1HG2 VAL 17 1.166 -10.999 -10.748 96 HG22 VAL 17 2HG2 VAL 17 -0.529 -11.469 -10.617 97 HG23 VAL 17 3HG2 VAL 17 0.118 -10.926 -12.165 98 H LEU 18 H LEU 18 -1.694 -7.038 -13.115 99 HA LEU 18 HA LEU 18 -1.130 -4.593 -11.624 100 HB2 LEU 18 1HB LEU 18 -1.299 -4.511 -14.078 101 HB3 LEU 18 2HB LEU 18 -2.969 -5.064 -13.967 102 HG LEU 18 HG LEU 18 -3.373 -2.939 -12.582 103 HD11 LEU 18 1HD1 LEU 18 -1.314 -1.490 -13.985 104 HD12 LEU 18 2HD1 LEU 18 -0.617 -2.694 -12.902 105 HD13 LEU 18 3HD1 LEU 18 -1.730 -1.480 -12.271 106 HD21 LEU 18 1HD2 LEU 18 -4.225 -2.010 -14.446 107 HD22 LEU 18 2HD2 LEU 18 -3.716 -3.522 -15.199 108 HD23 LEU 18 3HD2 LEU 18 -2.693 -2.090 -15.315 109 H ILE 19 H ILE 19 -2.599 -3.552 -10.330 110 HA ILE 19 HA ILE 19 -5.066 -5.045 -9.715 111 HB ILE 19 HB ILE 19 -3.455 -3.339 -7.813 112 HG12 ILE 19 1HG1 ILE 19 -2.390 -5.522 -8.507 113 HG13 ILE 19 2HG1 ILE 19 -2.704 -5.359 -6.783 114 HG21 ILE 19 1HG2 ILE 19 -5.428 -3.231 -6.756 115 HG22 ILE 19 2HG2 ILE 19 -6.117 -4.549 -7.702 116 HG23 ILE 19 3HG2 ILE 19 -5.100 -4.904 -6.306 117 HD11 ILE 19 1HD1 ILE 19 -3.252 -7.587 -7.670 118 HD12 ILE 19 2HD1 ILE 19 -4.644 -6.769 -6.962 119 HD13 ILE 19 3HD1 ILE 19 -4.466 -6.848 -8.714 120 H ARG 20 H ARG 20 -6.787 -4.004 -10.459 121 HA ARG 20 HA ARG 20 -6.809 -1.059 -10.341 122 HB2 ARG 20 1HB ARG 20 -7.916 -2.988 -12.349 123 HB3 ARG 20 2HB ARG 20 -8.676 -1.416 -12.141 124 HG2 ARG 20 1HG ARG 20 -6.615 -0.296 -12.703 125 HG3 ARG 20 2HG ARG 20 -5.769 -1.842 -12.795 126 HD2 ARG 20 1HD ARG 20 -8.155 -1.215 -14.510 127 HD3 ARG 20 2HD ARG 20 -6.515 -0.784 -14.992 128 HE ARG 20 HE ARG 20 -6.263 -3.394 -14.444 129 HH11 ARG 20 2HH1 ARG 20 -8.595 -1.634 -16.337 130 HH12 ARG 20 1HH1 ARG 20 -8.887 -2.944 -17.434 131 HH21 ARG 20 2HH2 ARG 20 -6.639 -5.125 -15.881 132 HH22 ARG 20 1HH2 ARG 20 -7.774 -4.929 -17.173 133 H MET 21 H MET 21 -8.151 -0.228 -8.894 134 HA MET 21 HA MET 21 -10.774 -1.393 -8.477 135 HB2 MET 21 1HB MET 21 -10.535 -1.564 -6.053 136 HB3 MET 21 2HB MET 21 -9.381 -2.612 -6.866 137 HG2 MET 21 1HG MET 21 -7.597 -1.059 -6.447 138 HG3 MET 21 2HG MET 21 -8.727 0.111 -5.770 139 HE1 MET 21 1HE MET 21 -6.698 -3.335 -4.859 140 HE2 MET 21 2HE MET 21 -6.042 -1.708 -5.037 141 HE3 MET 21 3HE MET 21 -6.188 -2.430 -3.434 142 H LYS 22 H LYS 22 -12.071 -0.016 -6.920 143 HA LYS 22 HA LYS 22 -11.291 2.810 -7.231 144 HB2 LYS 22 1HB LYS 22 -14.091 1.673 -7.140 145 HB3 LYS 22 2HB LYS 22 -13.660 3.361 -7.384 146 HG2 LYS 22 1HG LYS 22 -12.505 2.704 -9.481 147 HG3 LYS 22 2HG LYS 22 -13.114 1.064 -9.250 148 HD2 LYS 22 1HD LYS 22 -14.762 1.883 -10.599 149 HD3 LYS 22 2HD LYS 22 -15.422 2.352 -9.031 150 HE2 LYS 22 1HE LYS 22 -13.584 4.246 -10.396 151 HE3 LYS 22 2HE LYS 22 -15.214 4.067 -11.044 152 HZ1 LYS 22 1HZ LYS 22 -14.577 5.748 -9.079 153 HZ2 LYS 22 2HZ LYS 22 -15.040 4.400 -8.168 154 HZ3 LYS 22 3HZ LYS 22 -16.121 5.085 -9.275 155 HA PRO 23 HA PRO 23 -11.532 3.337 -2.878 156 HB2 PRO 23 1HB PRO 23 -12.387 5.909 -2.715 157 HB3 PRO 23 2HB PRO 23 -10.750 5.471 -3.216 158 HG2 PRO 23 1HG PRO 23 -13.113 6.211 -4.899 159 HG3 PRO 23 2HG PRO 23 -11.421 6.716 -5.063 160 HD2 PRO 23 1HD PRO 23 -12.514 4.767 -6.592 161 HD3 PRO 23 2HD PRO 23 -10.806 4.756 -6.108 162 H ASP 24 H ASP 24 -13.063 2.226 -1.813 163 HA ASP 24 HA ASP 24 -15.769 2.117 -2.316 164 HB2 ASP 24 1HB ASP 24 -14.329 0.704 -0.705 165 HB3 ASP 24 2HB ASP 24 -14.694 1.946 0.489 166 H GLU 25 H GLU 25 -17.430 2.794 -0.479 167 HA GLU 25 HA GLU 25 -17.993 5.457 -0.762 168 HB2 GLU 25 1HB GLU 25 -19.666 3.967 0.081 169 HB3 GLU 25 2HB GLU 25 -18.699 3.587 1.498 170 HG2 GLU 25 1HG GLU 25 -19.013 5.793 2.379 171 HG3 GLU 25 2HG GLU 25 -19.826 6.311 0.903 172 H ASN 26 H ASN 26 -16.436 3.974 2.083 173 HA ASN 26 HA ASN 26 -15.739 6.581 3.134 174 HB2 ASN 26 1HB ASN 26 -15.463 3.757 4.103 175 HB3 ASN 26 2HB ASN 26 -14.512 5.033 4.858 176 HD21 ASN 26 1HD2 ASN 26 -15.663 6.833 5.787 177 HD22 ASN 26 2HD2 ASN 26 -17.253 6.594 6.418 178 H GLY 27 H GLY 27 -14.601 5.730 0.564 179 HA2 GLY 27 1HA GLY 27 -12.574 5.601 -0.527 180 HA3 GLY 27 2HA GLY 27 -12.090 6.788 0.675 181 H ARG 28 H ARG 28 -12.855 3.321 0.924 182 HA ARG 28 HA ARG 28 -10.131 2.893 1.956 183 HB2 ARG 28 1HB ARG 28 -11.005 1.303 3.576 184 HB3 ARG 28 2HB ARG 28 -11.766 2.873 3.798 185 HG2 ARG 28 1HG ARG 28 -13.585 1.810 2.199 186 HG3 ARG 28 2HG ARG 28 -12.928 0.313 2.862 187 HD2 ARG 28 1HD ARG 28 -13.823 2.619 4.576 188 HD3 ARG 28 2HD ARG 28 -14.897 1.307 4.096 189 HE ARG 28 HE ARG 28 -12.870 -0.043 5.186 190 HH11 ARG 28 2HH1 ARG 28 -14.624 2.752 6.297 191 HH12 ARG 28 1HH1 ARG 28 -14.408 2.381 7.976 192 HH21 ARG 28 2HH2 ARG 28 -12.579 -0.541 7.393 193 HH22 ARG 28 1HH2 ARG 28 -13.244 0.509 8.598 194 H PHE 29 H PHE 29 -9.065 1.652 0.571 195 HA PHE 29 HA PHE 29 -10.181 0.151 -1.488 196 HB2 PHE 29 1HB PHE 29 -7.523 -0.423 -0.172 197 HB3 PHE 29 2HB PHE 29 -7.990 -0.771 -1.833 198 HD1 PHE 29 1HD PHE 29 -8.349 1.122 -3.422 199 HD2 PHE 29 2HD PHE 29 -6.643 1.670 0.439 200 HE1 PHE 29 1HE PHE 29 -7.448 3.299 -4.132 201 HE2 PHE 29 2HE PHE 29 -5.740 3.847 -0.265 202 HZ PHE 29 HZ PHE 29 -6.143 4.665 -2.553 203 H GLY 30 H GLY 30 -8.765 -1.066 1.557 204 HA2 GLY 30 1HA GLY 30 -10.060 -2.703 2.842 205 HA3 GLY 30 2HA GLY 30 -10.552 -3.405 1.308 206 H PHE 31 H PHE 31 -7.352 -2.398 2.482 207 HA PHE 31 HA PHE 31 -6.441 -5.074 2.876 208 HB2 PHE 31 1HB PHE 31 -5.041 -5.383 1.020 209 HB3 PHE 31 2HB PHE 31 -6.524 -4.743 0.319 210 HD1 PHE 31 2HD PHE 31 -6.616 -2.439 -0.503 211 HD2 PHE 31 1HD PHE 31 -3.004 -4.139 0.972 212 HE1 PHE 31 2HE PHE 31 -5.334 -0.628 -1.566 213 HE2 PHE 31 1HE PHE 31 -1.716 -2.331 -0.088 214 HZ PHE 31 HZ PHE 31 -2.880 -0.573 -1.360 215 H ASN 32 H ASN 32 -4.309 -5.173 3.715 216 HA ASN 32 HA ASN 32 -3.233 -2.550 4.521 217 HB2 ASN 32 1HB ASN 32 -3.192 -5.166 6.041 218 HB3 ASN 32 2HB ASN 32 -2.388 -3.689 6.562 219 HD21 ASN 32 1HD2 ASN 32 -4.642 -5.359 7.655 220 HD22 ASN 32 2HD2 ASN 32 -5.903 -4.219 7.968 221 H VAL 33 H VAL 33 -0.891 -2.520 4.958 222 HA VAL 33 HA VAL 33 0.589 -4.478 3.331 223 HB VAL 33 HB VAL 33 2.093 -2.658 2.591 224 HG11 VAL 33 1HG1 VAL 33 0.557 -1.675 0.948 225 HG12 VAL 33 2HG1 VAL 33 0.301 -3.411 1.131 226 HG13 VAL 33 3HG1 VAL 33 -0.814 -2.270 1.884 227 HG21 VAL 33 1HG2 VAL 33 1.257 -1.187 4.597 228 HG22 VAL 33 2HG2 VAL 33 1.784 -0.436 3.091 229 HG23 VAL 33 3HG2 VAL 33 0.063 -0.638 3.420 230 H LYS 34 H LYS 34 2.881 -4.639 3.863 231 HA LYS 34 HA LYS 34 3.697 -3.581 6.449 232 HB2 LYS 34 1HB LYS 34 4.238 -5.741 7.388 233 HB3 LYS 34 2HB LYS 34 2.535 -5.717 6.947 234 HG2 LYS 34 1HG LYS 34 2.850 -7.152 5.151 235 HG3 LYS 34 2HG LYS 34 4.583 -6.827 5.070 236 HD2 LYS 34 1HD LYS 34 4.921 -8.022 7.164 237 HD3 LYS 34 2HD LYS 34 3.184 -8.303 7.301 238 HE2 LYS 34 1HE LYS 34 3.944 -10.302 6.416 239 HE3 LYS 34 2HE LYS 34 3.434 -9.421 4.977 240 HZ1 LYS 34 1HZ LYS 34 6.078 -8.737 5.416 241 HZ2 LYS 34 2HZ LYS 34 5.465 -9.721 4.184 242 HZ3 LYS 34 3HZ LYS 34 5.998 -10.413 5.633 243 H GLY 35 H GLY 35 5.932 -3.534 6.754 244 HA2 GLY 35 1HA GLY 35 8.178 -3.922 6.194 245 HA3 GLY 35 2HA GLY 35 7.650 -4.709 4.713 246 H GLY 36 H GLY 36 9.756 -2.907 4.728 247 HA2 GLY 36 1HA GLY 36 9.184 -1.238 2.607 248 HA3 GLY 36 2HA GLY 36 8.913 -0.267 4.047 249 H TYR 37 H TYR 37 10.821 0.483 2.237 250 HA TYR 37 HA TYR 37 13.379 -0.396 2.385 251 HB2 TYR 37 1HB TYR 37 12.881 1.494 1.017 252 HB3 TYR 37 2HB TYR 37 12.362 2.446 2.403 253 HD1 TYR 37 1HD TYR 37 14.017 3.390 3.953 254 HD2 TYR 37 2HD TYR 37 15.212 1.265 0.466 255 HE1 TYR 37 1HE TYR 37 16.285 4.315 4.174 256 HE2 TYR 37 2HE TYR 37 17.484 2.183 0.678 257 HH TYR 37 HH TYR 37 18.630 4.044 1.688 258 H ASP 38 H ASP 38 11.688 1.508 4.830 259 HA ASP 38 HA ASP 38 13.726 2.185 6.533 260 HB2 ASP 38 1HB ASP 38 11.696 3.009 7.243 261 HB3 ASP 38 2HB ASP 38 10.854 1.491 6.943 262 H GLN 39 H GLN 39 12.097 -0.938 6.252 263 HA GLN 39 HA GLN 39 14.009 -2.068 8.177 264 HB2 GLN 39 1HB GLN 39 11.258 -2.882 7.306 265 HB3 GLN 39 2HB GLN 39 12.350 -4.070 8.004 266 HG2 GLN 39 1HG GLN 39 12.602 -2.309 9.905 267 HG3 GLN 39 2HG GLN 39 11.078 -1.692 9.270 268 HE21 GLN 39 1HE2 GLN 39 9.347 -2.468 10.215 269 HE22 GLN 39 2HE2 GLN 39 9.198 -4.015 10.971 270 H LYS 40 H LYS 40 14.781 -1.455 5.494 271 HA LYS 40 HA LYS 40 15.528 -2.417 3.525 272 HB2 LYS 40 1HB LYS 40 16.732 -3.905 5.831 273 HB3 LYS 40 2HB LYS 40 17.138 -4.373 4.186 274 HG2 LYS 40 1HG LYS 40 17.377 -1.514 5.000 275 HG3 LYS 40 2HG LYS 40 18.624 -2.669 5.475 276 HD2 LYS 40 1HD LYS 40 17.726 -2.597 2.631 277 HD3 LYS 40 2HD LYS 40 18.809 -1.332 3.218 278 HE2 LYS 40 1HE LYS 40 20.319 -3.152 4.057 279 HE3 LYS 40 2HE LYS 40 19.287 -4.308 3.217 280 HZ1 LYS 40 1HZ LYS 40 19.743 -2.779 1.197 281 HZ2 LYS 40 2HZ LYS 40 20.917 -3.900 1.672 282 HZ3 LYS 40 3HZ LYS 40 21.085 -2.270 2.093 283 H MET 41 H MET 41 12.918 -3.280 3.951 284 HA MET 41 HA MET 41 13.046 -5.926 2.712 285 HB2 MET 41 1HB MET 41 11.491 -6.930 4.144 286 HB3 MET 41 2HB MET 41 12.559 -6.057 5.236 287 HG2 MET 41 1HG MET 41 10.969 -4.363 5.602 288 HG3 MET 41 2HG MET 41 9.978 -4.895 4.245 289 HE1 MET 41 1HE MET 41 8.446 -6.615 4.144 290 HE2 MET 41 2HE MET 41 9.300 -8.070 4.657 291 HE3 MET 41 3HE MET 41 7.807 -7.593 5.466 292 HA PRO 42 HA PRO 42 10.058 -4.290 -0.057 293 HB2 PRO 42 1HB PRO 42 8.713 -6.541 -0.757 294 HB3 PRO 42 2HB PRO 42 10.356 -6.193 -1.309 295 HG2 PRO 42 1HG PRO 42 9.444 -7.964 0.926 296 HG3 PRO 42 2HG PRO 42 10.699 -8.256 -0.292 297 HD2 PRO 42 1HD PRO 42 11.275 -7.464 2.232 298 HD3 PRO 42 2HD PRO 42 12.264 -6.994 0.835 299 H VAL 43 H VAL 43 7.774 -3.941 -0.392 300 HA VAL 43 HA VAL 43 6.275 -4.075 2.116 301 HB VAL 43 HB VAL 43 5.650 -2.535 -0.407 302 HG11 VAL 43 1HG1 VAL 43 4.336 -2.698 2.282 303 HG12 VAL 43 2HG1 VAL 43 4.180 -1.256 1.277 304 HG13 VAL 43 3HG1 VAL 43 3.608 -2.815 0.680 305 HG21 VAL 43 1HG2 VAL 43 6.759 -0.732 0.420 306 HG22 VAL 43 2HG2 VAL 43 6.465 -1.181 2.100 307 HG23 VAL 43 3HG2 VAL 43 7.726 -1.998 1.177 308 H ILE 44 H ILE 44 5.375 -6.081 2.225 309 HA ILE 44 HA ILE 44 3.757 -6.978 -0.062 310 HB ILE 44 HB ILE 44 4.875 -8.538 2.267 311 HG12 ILE 44 1HG1 ILE 44 5.803 -9.784 0.089 312 HG13 ILE 44 2HG1 ILE 44 5.617 -8.172 -0.592 313 HG21 ILE 44 1HG2 ILE 44 2.667 -9.119 0.450 314 HG22 ILE 44 2HG2 ILE 44 3.904 -10.375 0.482 315 HG23 ILE 44 3HG2 ILE 44 3.110 -9.881 1.978 316 HD11 ILE 44 1HD1 ILE 44 7.403 -7.397 0.488 317 HD12 ILE 44 2HD1 ILE 44 6.953 -8.192 1.997 318 HD13 ILE 44 3HD1 ILE 44 7.807 -9.094 0.745 319 H VAL 45 H VAL 45 1.615 -7.556 0.201 320 HA VAL 45 HA VAL 45 0.025 -6.108 1.916 321 HB VAL 45 HB VAL 45 -0.596 -8.793 0.678 322 HG11 VAL 45 1HG1 VAL 45 -2.317 -8.657 2.158 323 HG12 VAL 45 2HG1 VAL 45 -2.222 -6.899 2.278 324 HG13 VAL 45 3HG1 VAL 45 -2.989 -7.649 0.877 325 HG21 VAL 45 1HG2 VAL 45 -1.846 -7.308 -0.958 326 HG22 VAL 45 2HG2 VAL 45 -0.946 -5.959 -0.265 327 HG23 VAL 45 3HG2 VAL 45 -0.086 -7.279 -1.057 328 H SER 46 H SER 46 -0.777 -6.346 3.936 329 HA SER 46 HA SER 46 0.401 -8.450 5.579 330 HB2 SER 46 1HB SER 46 0.454 -5.999 6.243 331 HB3 SER 46 2HB SER 46 -1.282 -6.125 6.523 332 HG SER 46 HG SER 46 -0.821 -6.960 8.381 333 H ARG 47 H ARG 47 -2.818 -6.921 5.355 334 HA ARG 47 HA ARG 47 -4.054 -9.562 5.449 335 HB2 ARG 47 1HB ARG 47 -3.853 -8.777 7.803 336 HB3 ARG 47 2HB ARG 47 -4.813 -7.366 7.381 337 HG2 ARG 47 1HG ARG 47 -6.409 -8.733 8.285 338 HG3 ARG 47 2HG ARG 47 -6.545 -9.146 6.575 339 HD2 ARG 47 1HD ARG 47 -6.477 -11.232 7.548 340 HD3 ARG 47 2HD ARG 47 -4.777 -10.968 7.164 341 HE ARG 47 HE ARG 47 -4.938 -10.037 9.675 342 HH11 ARG 47 2HH1 ARG 47 -6.042 -12.997 8.211 343 HH12 ARG 47 1HH1 ARG 47 -5.864 -13.932 9.659 344 HH21 ARG 47 2HH2 ARG 47 -4.699 -11.257 11.587 345 HH22 ARG 47 1HH2 ARG 47 -5.101 -12.941 11.579 346 H VAL 48 H VAL 48 -6.231 -9.597 4.717 347 HA VAL 48 HA VAL 48 -7.197 -7.114 3.477 348 HB VAL 48 HB VAL 48 -7.164 -9.797 2.088 349 HG11 VAL 48 1HG1 VAL 48 -7.794 -7.202 0.757 350 HG12 VAL 48 2HG1 VAL 48 -8.293 -8.839 0.327 351 HG13 VAL 48 3HG1 VAL 48 -9.043 -8.019 1.696 352 HG21 VAL 48 1HG2 VAL 48 -5.084 -7.954 2.360 353 HG22 VAL 48 2HG2 VAL 48 -5.181 -9.289 1.213 354 HG23 VAL 48 3HG2 VAL 48 -5.739 -7.683 0.745 355 H ALA 49 H ALA 49 -9.271 -6.720 3.893 356 HA ALA 49 HA ALA 49 -10.864 -8.827 5.155 357 HB1 ALA 49 1HB ALA 49 -10.491 -6.406 6.075 358 HB2 ALA 49 2HB ALA 49 -11.792 -6.001 4.955 359 HB3 ALA 49 3HB ALA 49 -12.063 -7.190 6.230 360 HA PRO 50 HA PRO 50 -13.402 -9.429 1.611 361 HB2 PRO 50 1HB PRO 50 -15.665 -10.307 2.826 362 HB3 PRO 50 2HB PRO 50 -14.206 -11.294 2.686 363 HG2 PRO 50 1HG PRO 50 -15.191 -9.690 5.013 364 HG3 PRO 50 2HG PRO 50 -14.492 -11.319 4.993 365 HD2 PRO 50 1HD PRO 50 -13.059 -9.128 5.684 366 HD3 PRO 50 2HD PRO 50 -12.331 -10.527 4.870 367 H GLY 51 H GLY 51 -15.688 -8.904 0.824 368 HA2 GLY 51 1HA GLY 51 -17.221 -7.295 0.252 369 HA3 GLY 51 2HA GLY 51 -17.269 -6.909 1.965 370 H THR 52 H THR 52 -14.537 -6.619 -0.265 371 HA THR 52 HA THR 52 -14.711 -3.694 -0.033 372 HB THR 52 HB THR 52 -12.262 -3.559 0.262 373 HG1 THR 52 1HG THR 52 -12.069 -6.209 1.067 374 HG21 THR 52 1HG2 THR 52 -13.939 -3.651 2.194 375 HG22 THR 52 2HG2 THR 52 -12.247 -3.966 2.579 376 HG23 THR 52 3HG2 THR 52 -13.383 -5.307 2.437 377 HA PRO 53 HA PRO 53 -13.920 -3.638 -4.354 378 HB2 PRO 53 1HB PRO 53 -12.654 -1.250 -4.605 379 HB3 PRO 53 2HB PRO 53 -14.386 -1.389 -4.281 380 HG2 PRO 53 1HG PRO 53 -12.140 -0.852 -2.376 381 HG3 PRO 53 2HG PRO 53 -13.737 -0.088 -2.466 382 HD2 PRO 53 1HD PRO 53 -13.147 -2.024 -0.667 383 HD3 PRO 53 2HD PRO 53 -14.769 -1.827 -1.359 384 H ALA 54 H ALA 54 -11.547 -4.154 -2.130 385 HA ALA 54 HA ALA 54 -9.358 -4.084 -4.086 386 HB1 ALA 54 1HB ALA 54 -9.151 -3.020 -1.772 387 HB2 ALA 54 2HB ALA 54 -9.047 -4.671 -1.159 388 HB3 ALA 54 3HB ALA 54 -7.843 -4.077 -2.303 389 H ASP 55 H ASP 55 -11.479 -6.214 -2.444 390 HA ASP 55 HA ASP 55 -9.776 -8.537 -2.976 391 HB2 ASP 55 1HB ASP 55 -11.164 -8.046 -0.773 392 HB3 ASP 55 2HB ASP 55 -12.465 -8.785 -1.702 393 H LEU 56 H LEU 56 -13.127 -7.464 -3.542 394 HA LEU 56 HA LEU 56 -13.876 -9.541 -5.251 395 HB2 LEU 56 1HB LEU 56 -14.829 -6.681 -5.302 396 HB3 LEU 56 2HB LEU 56 -15.661 -8.067 -6.004 397 HG LEU 56 HG LEU 56 -15.088 -8.089 -3.081 398 HD11 LEU 56 1HD1 LEU 56 -17.367 -6.555 -4.321 399 HD12 LEU 56 2HD1 LEU 56 -15.973 -5.838 -3.514 400 HD13 LEU 56 3HD1 LEU 56 -17.102 -6.837 -2.600 401 HD21 LEU 56 1HD2 LEU 56 -16.068 -10.052 -4.046 402 HD22 LEU 56 2HD2 LEU 56 -17.315 -9.095 -4.847 403 HD23 LEU 56 3HD2 LEU 56 -17.300 -9.230 -3.088 404 H CYS 57 H CYS 57 -12.105 -6.585 -5.865 405 HA CYS 57 HA CYS 57 -12.302 -6.393 -8.618 406 HB2 CYS 57 1HB CYS 57 -10.242 -5.141 -8.560 407 HB3 CYS 57 2HB CYS 57 -11.173 -4.747 -7.120 408 HG CYS 57 HG CYS 57 -8.303 -6.558 -7.354 409 H VAL 58 H VAL 58 -10.775 -6.997 -10.297 410 HA VAL 58 HA VAL 58 -9.469 -9.584 -9.751 411 HB VAL 58 HB VAL 58 -11.075 -8.707 -12.136 412 HG11 VAL 58 1HG1 VAL 58 -10.175 -11.155 -12.863 413 HG12 VAL 58 2HG1 VAL 58 -9.473 -9.634 -13.417 414 HG13 VAL 58 3HG1 VAL 58 -8.747 -10.500 -12.062 415 HG21 VAL 58 1HG2 VAL 58 -11.596 -10.317 -9.904 416 HG22 VAL 58 2HG2 VAL 58 -12.598 -10.119 -11.342 417 HG23 VAL 58 3HG2 VAL 58 -11.415 -11.424 -11.265 418 HA PRO 59 HA PRO 59 -7.935 -10.806 -10.115 419 HB2 PRO 59 1HB PRO 59 -5.505 -10.849 -8.906 420 HB3 PRO 59 2HB PRO 59 -5.743 -11.293 -10.600 421 HG2 PRO 59 1HG PRO 59 -4.775 -8.710 -9.436 422 HG3 PRO 59 2HG PRO 59 -4.164 -9.603 -10.841 423 HD2 PRO 59 1HD PRO 59 -5.789 -7.449 -11.077 424 HD3 PRO 59 2HD PRO 59 -5.820 -8.800 -12.229 425 H ARG 60 H ARG 60 -7.625 -11.515 -7.788 426 HA ARG 60 HA ARG 60 -8.731 -9.465 -6.064 427 HB2 ARG 60 1HB ARG 60 -9.810 -11.583 -5.932 428 HB3 ARG 60 2HB ARG 60 -8.280 -12.427 -5.734 429 HG2 ARG 60 1HG ARG 60 -8.080 -11.025 -3.560 430 HG3 ARG 60 2HG ARG 60 -9.823 -10.820 -3.749 431 HD2 ARG 60 1HD ARG 60 -10.219 -13.131 -3.577 432 HD3 ARG 60 2HD ARG 60 -8.520 -13.524 -3.838 433 HE ARG 60 HE ARG 60 -9.083 -11.980 -1.456 434 HH11 ARG 60 2HH1 ARG 60 -8.649 -15.141 -2.849 435 HH12 ARG 60 1HH1 ARG 60 -8.265 -15.897 -1.339 436 HH21 ARG 60 2HH2 ARG 60 -8.579 -12.964 0.539 437 HH22 ARG 60 1HH2 ARG 60 -8.227 -14.658 0.588 438 H LEU 61 H LEU 61 -7.521 -8.220 -4.812 439 HA LEU 61 HA LEU 61 -4.731 -8.656 -4.460 440 HB2 LEU 61 1HB LEU 61 -5.827 -6.427 -4.559 441 HB3 LEU 61 2HB LEU 61 -6.529 -6.747 -2.974 442 HG LEU 61 HG LEU 61 -4.266 -6.835 -2.011 443 HD11 LEU 61 1HD1 LEU 61 -2.390 -5.961 -3.415 444 HD12 LEU 61 2HD1 LEU 61 -3.428 -6.169 -4.825 445 HD13 LEU 61 3HD1 LEU 61 -2.960 -7.570 -3.861 446 HD21 LEU 61 1HD2 LEU 61 -5.725 -4.646 -2.627 447 HD22 LEU 61 2HD2 LEU 61 -4.203 -4.257 -3.429 448 HD23 LEU 61 3HD2 LEU 61 -4.225 -4.606 -1.700 449 H ASN 62 H ASN 62 -4.429 -10.615 -3.411 450 HA ASN 62 HA ASN 62 -5.455 -10.795 -0.659 451 HB2 ASN 62 1HB ASN 62 -4.867 -13.237 -0.864 452 HB3 ASN 62 2HB ASN 62 -6.149 -12.694 -1.942 453 HD21 ASN 62 1HD2 ASN 62 -5.978 -13.887 -3.705 454 HD22 ASN 62 2HD2 ASN 62 -4.532 -14.136 -4.618 455 H GLU 63 H GLU 63 -3.939 -12.017 0.850 456 HA GLU 63 HA GLU 63 -1.635 -10.563 1.289 457 HB2 GLU 63 1HB GLU 63 -2.395 -13.347 2.162 458 HB3 GLU 63 2HB GLU 63 -0.927 -12.554 2.714 459 HG2 GLU 63 1HG GLU 63 -2.125 -10.893 3.861 460 HG3 GLU 63 2HG GLU 63 -3.632 -11.304 3.045 461 H GLY 64 H GLY 64 0.582 -10.969 0.990 462 HA2 GLY 64 1HA GLY 64 2.390 -12.305 0.135 463 HA3 GLY 64 2HA GLY 64 1.254 -13.057 -0.975 464 H ASP 65 H ASP 65 0.006 -10.815 -2.031 465 HA ASP 65 HA ASP 65 1.535 -10.135 -4.176 466 HB2 ASP 65 1HB ASP 65 -0.683 -8.676 -2.778 467 HB3 ASP 65 2HB ASP 65 0.119 -7.942 -4.163 468 H GLN 66 H GLN 66 3.577 -9.434 -4.098 469 HA GLN 66 HA GLN 66 4.424 -7.522 -2.092 470 HB2 GLN 66 1HB GLN 66 5.896 -9.391 -2.676 471 HB3 GLN 66 2HB GLN 66 5.957 -8.835 -4.343 472 HG2 GLN 66 1HG GLN 66 6.914 -6.666 -3.403 473 HG3 GLN 66 2HG GLN 66 7.151 -7.567 -1.906 474 HE21 GLN 66 1HE2 GLN 66 8.950 -6.389 -4.078 475 HE22 GLN 66 2HE2 GLN 66 10.058 -7.669 -4.423 476 H VAL 67 H VAL 67 4.116 -5.424 -2.388 477 HA VAL 67 HA VAL 67 3.487 -4.268 -4.904 478 HB VAL 67 HB VAL 67 4.340 -2.852 -2.375 479 HG11 VAL 67 1HG1 VAL 67 2.423 -1.482 -4.035 480 HG12 VAL 67 2HG1 VAL 67 3.993 -0.933 -3.445 481 HG13 VAL 67 3HG1 VAL 67 3.886 -1.858 -4.943 482 HG21 VAL 67 1HG2 VAL 67 1.700 -3.944 -3.276 483 HG22 VAL 67 2HG2 VAL 67 2.492 -4.100 -1.708 484 HG23 VAL 67 3HG2 VAL 67 1.782 -2.559 -2.188 485 H VAL 68 H VAL 68 4.777 -3.506 -6.446 486 HA VAL 68 HA VAL 68 7.650 -3.273 -5.869 487 HB VAL 68 HB VAL 68 6.312 -3.497 -8.568 488 HG11 VAL 68 1HG1 VAL 68 8.927 -4.363 -8.762 489 HG12 VAL 68 2HG1 VAL 68 8.304 -2.800 -9.294 490 HG13 VAL 68 3HG1 VAL 68 9.031 -2.963 -7.695 491 HG21 VAL 68 1HG2 VAL 68 7.633 -5.821 -8.285 492 HG22 VAL 68 2HG2 VAL 68 7.167 -5.533 -6.608 493 HG23 VAL 68 3HG2 VAL 68 5.933 -5.613 -7.865 494 H LEU 69 H LEU 69 5.013 -1.648 -7.612 495 HA LEU 69 HA LEU 69 6.209 0.926 -6.995 496 HB2 LEU 69 1HB LEU 69 5.572 0.153 -9.838 497 HB3 LEU 69 2HB LEU 69 6.177 1.713 -9.282 498 HG LEU 69 HG LEU 69 7.779 -0.796 -8.903 499 HD11 LEU 69 1HD1 LEU 69 8.747 -0.636 -11.003 500 HD12 LEU 69 2HD1 LEU 69 8.144 0.999 -11.269 501 HD13 LEU 69 3HD1 LEU 69 7.035 -0.370 -11.338 502 HD21 LEU 69 1HD2 LEU 69 8.733 2.014 -9.352 503 HD22 LEU 69 2HD2 LEU 69 9.596 0.655 -8.632 504 HD23 LEU 69 3HD2 LEU 69 8.280 1.431 -7.750 505 H ILE 70 H ILE 70 4.744 2.631 -7.016 506 HA ILE 70 HA ILE 70 1.932 1.804 -7.129 507 HB ILE 70 HB ILE 70 3.063 4.334 -5.935 508 HG12 ILE 70 1HG1 ILE 70 3.837 2.118 -4.894 509 HG13 ILE 70 2HG1 ILE 70 3.100 3.300 -3.818 510 HG21 ILE 70 1HG2 ILE 70 0.387 2.996 -5.561 511 HG22 ILE 70 2HG2 ILE 70 0.917 4.507 -4.822 512 HG23 ILE 70 3HG2 ILE 70 0.688 4.412 -6.568 513 HD11 ILE 70 1HD1 ILE 70 1.027 2.085 -3.834 514 HD12 ILE 70 2HD1 ILE 70 1.662 0.953 -5.028 515 HD13 ILE 70 3HD1 ILE 70 2.345 0.996 -3.403 516 H ASN 71 H ASN 71 0.851 2.276 -8.915 517 HA ASN 71 HA ASN 71 0.207 3.270 -10.861 518 HB2 ASN 71 1HB ASN 71 0.973 5.823 -9.430 519 HB3 ASN 71 2HB ASN 71 -0.168 5.661 -10.762 520 HD21 ASN 71 1HD2 ASN 71 -1.153 6.915 -8.718 521 HD22 ASN 71 2HD2 ASN 71 -2.202 5.925 -7.767 522 H GLY 72 H GLY 72 2.872 2.349 -10.849 523 HA2 GLY 72 1HA GLY 72 4.688 2.421 -12.260 524 HA3 GLY 72 2HA GLY 72 3.882 3.720 -13.128 525 H ARG 73 H ARG 73 4.869 3.638 -9.728 526 HA ARG 73 HA ARG 73 6.853 5.728 -10.314 527 HB2 ARG 73 1HB ARG 73 4.583 6.517 -9.313 528 HB3 ARG 73 2HB ARG 73 5.194 5.825 -7.816 529 HG2 ARG 73 1HG ARG 73 7.148 7.290 -7.937 530 HG3 ARG 73 2HG ARG 73 6.523 7.989 -9.433 531 HD2 ARG 73 1HD ARG 73 4.770 7.975 -7.028 532 HD3 ARG 73 2HD ARG 73 6.102 9.129 -7.088 533 HE ARG 73 HE ARG 73 3.697 9.156 -8.687 534 HH11 ARG 73 2HH1 ARG 73 6.967 10.299 -8.344 535 HH12 ARG 73 1HH1 ARG 73 6.726 11.688 -9.352 536 HH21 ARG 73 2HH2 ARG 73 3.367 10.981 -10.015 537 HH22 ARG 73 1HH2 ARG 73 4.677 12.075 -10.301 538 H ASP 74 H ASP 74 8.683 5.741 -9.023 539 HA ASP 74 HA ASP 74 9.436 3.241 -7.898 540 HB2 ASP 74 1HB ASP 74 10.996 4.872 -9.013 541 HB3 ASP 74 2HB ASP 74 10.861 5.887 -7.579 542 H ILE 75 H ILE 75 8.735 2.514 -6.007 543 HA ILE 75 HA ILE 75 8.478 4.429 -3.780 544 HB ILE 75 HB ILE 75 6.702 3.048 -2.848 545 HG12 ILE 75 1HG1 ILE 75 5.740 1.349 -4.669 546 HG13 ILE 75 2HG1 ILE 75 7.437 1.281 -5.131 547 HG21 ILE 75 1HG2 ILE 75 4.999 3.837 -4.194 548 HG22 ILE 75 2HG2 ILE 75 6.349 4.868 -4.666 549 HG23 ILE 75 3HG2 ILE 75 5.882 3.506 -5.684 550 HD11 ILE 75 1HD1 ILE 75 8.024 0.139 -3.288 551 HD12 ILE 75 2HD1 ILE 75 6.877 0.995 -2.257 552 HD13 ILE 75 3HD1 ILE 75 6.321 -0.318 -3.295 553 H ALA 76 H ALA 76 9.519 1.260 -4.832 554 HA ALA 76 HA ALA 76 10.123 0.025 -2.440 555 HB1 ALA 76 1HB ALA 76 10.760 -0.359 -5.180 556 HB2 ALA 76 2HB ALA 76 12.240 -0.545 -4.238 557 HB3 ALA 76 3HB ALA 76 10.824 -1.526 -3.859 558 H GLU 77 H GLU 77 11.495 2.854 -3.746 559 HA GLU 77 HA GLU 77 13.905 2.621 -2.094 560 HB2 GLU 77 1HB GLU 77 13.142 4.245 -4.467 561 HB3 GLU 77 2HB GLU 77 14.272 4.962 -3.328 562 HG2 GLU 77 1HG GLU 77 14.623 2.324 -4.733 563 HG3 GLU 77 2HG GLU 77 15.426 3.837 -5.150 564 H HIS 78 H HIS 78 11.071 3.177 -1.175 565 HA HIS 78 HA HIS 78 11.707 5.608 0.358 566 HB2 HIS 78 1HB HIS 78 9.023 4.831 -0.799 567 HB3 HIS 78 2HB HIS 78 9.272 6.152 0.339 568 HD1 HIS 78 1HD HIS 78 8.244 6.326 -2.711 569 HD2 HIS 78 2HD HIS 78 12.009 7.321 -1.263 570 HE1 HIS 78 1HE HIS 78 9.196 7.954 -4.375 571 HE2 HIS 78 2HE HIS 78 11.508 8.476 -3.522 572 H THR 79 H THR 79 10.557 5.751 2.434 573 HA THR 79 HA THR 79 10.685 3.240 3.820 574 HB THR 79 HB THR 79 10.155 4.535 5.836 575 HG1 THR 79 1HG THR 79 8.879 6.113 4.291 576 HG21 THR 79 1HG2 THR 79 12.232 5.431 5.993 577 HG22 THR 79 2HG2 THR 79 12.067 6.346 4.495 578 HG23 THR 79 3HG2 THR 79 12.456 4.627 4.441 579 H HIS 80 H HIS 80 9.012 2.202 4.946 580 HA HIS 80 HA HIS 80 6.698 1.627 3.747 581 HB2 HIS 80 1HB HIS 80 7.462 0.577 5.850 582 HB3 HIS 80 2HB HIS 80 6.948 2.008 6.738 583 HD1 HIS 80 1HD HIS 80 5.661 -0.431 7.705 584 HD2 HIS 80 2HD HIS 80 4.146 1.640 4.437 585 HE1 HIS 80 1HE HIS 80 3.248 -1.118 7.534 586 HE2 HIS 80 2HE HIS 80 2.375 0.082 5.499 587 H ASP 81 H ASP 81 6.836 4.132 6.287 588 HA ASP 81 HA ASP 81 4.336 5.135 6.225 589 HB2 ASP 81 1HB ASP 81 6.490 5.977 7.453 590 HB3 ASP 81 2HB ASP 81 6.596 7.101 6.101 591 H GLN 82 H GLN 82 6.907 6.427 4.110 592 HA GLN 82 HA GLN 82 5.511 8.145 2.562 593 HB2 GLN 82 1HB GLN 82 7.765 6.288 1.950 594 HB3 GLN 82 2HB GLN 82 7.019 7.164 0.620 595 HG2 GLN 82 1HG GLN 82 7.398 9.260 2.041 596 HG3 GLN 82 2HG GLN 82 8.490 8.251 2.989 597 HE21 GLN 82 1HE2 GLN 82 7.873 9.601 -0.183 598 HE22 GLN 82 2HE2 GLN 82 9.496 9.477 -0.762 599 H VAL 83 H VAL 83 5.786 4.655 1.899 600 HA VAL 83 HA VAL 83 4.178 4.533 -0.354 601 HB VAL 83 HB VAL 83 4.530 2.477 1.830 602 HG11 VAL 83 1HG1 VAL 83 2.999 1.210 0.842 603 HG12 VAL 83 2HG1 VAL 83 2.661 2.507 -0.305 604 HG13 VAL 83 3HG1 VAL 83 3.892 1.300 -0.676 605 HG21 VAL 83 1HG2 VAL 83 6.232 1.544 0.497 606 HG22 VAL 83 2HG2 VAL 83 5.778 2.512 -0.906 607 HG23 VAL 83 3HG2 VAL 83 6.537 3.281 0.489 608 H VAL 84 H VAL 84 3.206 4.068 3.043 609 HA VAL 84 HA VAL 84 0.485 3.657 2.604 610 HB VAL 84 HB VAL 84 1.800 4.981 4.981 611 HG11 VAL 84 1HG1 VAL 84 -0.775 5.177 4.567 612 HG12 VAL 84 2HG1 VAL 84 -0.786 3.498 5.111 613 HG13 VAL 84 3HG1 VAL 84 -0.160 4.765 6.167 614 HG21 VAL 84 1HG2 VAL 84 1.210 2.505 5.814 615 HG22 VAL 84 2HG2 VAL 84 1.498 2.172 4.106 616 HG23 VAL 84 3HG2 VAL 84 2.757 2.929 5.082 617 H LEU 85 H LEU 85 2.273 6.673 3.124 618 HA LEU 85 HA LEU 85 0.023 8.377 3.141 619 HB2 LEU 85 1HB LEU 85 2.939 8.822 2.587 620 HB3 LEU 85 2HB LEU 85 1.766 10.134 2.486 621 HG LEU 85 HG LEU 85 2.098 8.497 4.984 622 HD11 LEU 85 1HD1 LEU 85 3.937 9.592 5.625 623 HD12 LEU 85 2HD1 LEU 85 3.376 11.123 4.953 624 HD13 LEU 85 3HD1 LEU 85 4.157 9.936 3.909 625 HD21 LEU 85 1HD2 LEU 85 0.901 10.176 6.033 626 HD22 LEU 85 2HD2 LEU 85 0.106 10.073 4.462 627 HD23 LEU 85 3HD2 LEU 85 1.267 11.363 4.781 628 H PHE 86 H PHE 86 2.180 7.295 0.555 629 HA PHE 86 HA PHE 86 1.175 8.920 -1.494 630 HB2 PHE 86 1HB PHE 86 3.268 7.433 -1.496 631 HB3 PHE 86 2HB PHE 86 2.185 6.116 -1.934 632 HD1 PHE 86 1HD PHE 86 2.282 9.678 -3.019 633 HD2 PHE 86 2HD PHE 86 2.602 5.583 -4.135 634 HE1 PHE 86 1HE PHE 86 2.443 10.338 -5.384 635 HE2 PHE 86 2HE PHE 86 2.764 6.237 -6.501 636 HZ PHE 86 HZ PHE 86 2.686 8.617 -7.128 637 H ILE 87 H ILE 87 0.426 5.490 -0.850 638 HA ILE 87 HA ILE 87 -1.518 5.023 -2.682 639 HB ILE 87 HB ILE 87 -1.607 4.139 0.205 640 HG12 ILE 87 1HG1 ILE 87 -0.564 2.601 -2.171 641 HG13 ILE 87 2HG1 ILE 87 0.476 3.619 -1.182 642 HG21 ILE 87 1HG2 ILE 87 -2.791 2.577 -2.038 643 HG22 ILE 87 2HG2 ILE 87 -3.221 2.599 -0.329 644 HG23 ILE 87 3HG2 ILE 87 -3.694 3.939 -1.373 645 HD11 ILE 87 1HD1 ILE 87 -0.202 0.946 -0.759 646 HD12 ILE 87 2HD1 ILE 87 0.694 2.015 0.322 647 HD13 ILE 87 3HD1 ILE 87 -1.056 1.860 0.484 648 H LYS 88 H LYS 88 -2.323 6.044 0.642 649 HA LYS 88 HA LYS 88 -4.992 6.618 0.213 650 HB2 LYS 88 1HB LYS 88 -3.013 7.844 2.132 651 HB3 LYS 88 2HB LYS 88 -4.732 8.212 2.171 652 HG2 LYS 88 1HG LYS 88 -5.192 5.801 2.506 653 HG3 LYS 88 2HG LYS 88 -3.452 5.521 2.599 654 HD2 LYS 88 1HD LYS 88 -3.558 7.390 4.433 655 HD3 LYS 88 2HD LYS 88 -5.258 6.923 4.519 656 HE2 LYS 88 1HE LYS 88 -2.971 4.976 4.746 657 HE3 LYS 88 2HE LYS 88 -3.745 5.741 6.133 658 HZ1 LYS 88 1HZ LYS 88 -5.376 4.265 6.050 659 HZ2 LYS 88 2HZ LYS 88 -4.539 3.435 4.837 660 HZ3 LYS 88 3HZ LYS 88 -5.691 4.602 4.422 661 H ALA 89 H ALA 89 -2.246 8.884 0.075 662 HA ALA 89 HA ALA 89 -3.335 11.261 -0.429 663 HB1 ALA 89 1HB ALA 89 -1.165 11.597 -0.803 664 HB2 ALA 89 2HB ALA 89 -0.922 9.933 -1.336 665 HB3 ALA 89 3HB ALA 89 -1.483 11.152 -2.480 666 H SER 90 H SER 90 -2.879 8.858 -3.029 667 HA SER 90 HA SER 90 -3.902 10.036 -5.191 668 HB2 SER 90 1HB SER 90 -3.267 7.579 -4.903 669 HB3 SER 90 2HB SER 90 -4.933 7.315 -4.390 670 HG SER 90 HG SER 90 -4.454 8.686 -6.785 671 H CYS 91 H CYS 91 -5.999 8.449 -2.781 672 HA CYS 91 HA CYS 91 -8.465 8.984 -3.768 673 HB2 CYS 91 1HB CYS 91 -7.847 7.843 -1.569 674 HB3 CYS 91 2HB CYS 91 -7.827 9.452 -0.858 675 HG CYS 91 HG CYS 91 -10.440 7.548 -1.774 676 H GLU 92 H GLU 92 -6.581 11.225 -1.738 677 HA GLU 92 HA GLU 92 -8.453 13.345 -1.916 678 HB2 GLU 92 1HB GLU 92 -5.573 13.160 -1.087 679 HB3 GLU 92 2HB GLU 92 -6.360 14.726 -1.228 680 HG2 GLU 92 1HG GLU 92 -7.485 12.504 0.445 681 HG3 GLU 92 2HG GLU 92 -6.316 13.666 1.068 682 H ARG 93 H ARG 93 -5.464 12.616 -3.679 683 HA ARG 93 HA ARG 93 -5.158 14.873 -5.194 684 HB2 ARG 93 1HB ARG 93 -4.765 11.991 -6.004 685 HB3 ARG 93 2HB ARG 93 -4.219 13.356 -6.969 686 HG2 ARG 93 1HG ARG 93 -3.049 14.026 -4.692 687 HG3 ARG 93 2HG ARG 93 -3.159 12.286 -4.416 688 HD2 ARG 93 1HD ARG 93 -2.150 12.064 -6.772 689 HD3 ARG 93 2HD ARG 93 -1.713 13.763 -6.590 690 HE ARG 93 HE ARG 93 -0.447 11.525 -5.355 691 HH11 ARG 93 2HH1 ARG 93 -1.227 14.891 -4.933 692 HH12 ARG 93 1HH1 ARG 93 0.095 15.197 -3.856 693 HH21 ARG 93 2HH2 ARG 93 1.298 11.915 -3.938 694 HH22 ARG 93 1HH2 ARG 93 1.531 13.504 -3.291 695 H HIS 94 H HIS 94 -7.278 12.114 -5.904 696 HA HIS 94 HA HIS 94 -9.242 13.720 -7.149 697 HB2 HIS 94 1HB HIS 94 -7.322 13.609 -8.883 698 HB3 HIS 94 2HB HIS 94 -7.836 11.942 -9.125 699 HD1 HIS 94 1HD HIS 94 -9.496 11.658 -10.926 700 HD2 HIS 94 2HD HIS 94 -9.674 15.459 -9.257 701 HE1 HIS 94 1HE HIS 94 -11.236 12.895 -12.255 702 HE2 HIS 94 2HE HIS 94 -11.265 15.218 -11.282 703 H SER 95 H SER 95 -10.926 12.324 -8.271 704 HA SER 95 HA SER 95 -11.092 9.741 -6.864 705 HB2 SER 95 1HB SER 95 -12.820 11.194 -6.070 706 HB3 SER 95 2HB SER 95 -13.257 11.673 -7.710 707 HG SER 95 HG SER 95 -13.372 8.959 -7.132 708 H GLY 96 H GLY 96 -10.204 8.407 -8.407 709 HA2 GLY 96 1HA GLY 96 -11.882 7.971 -10.770 710 HA3 GLY 96 2HA GLY 96 -10.168 8.265 -11.024 711 H GLU 97 H GLU 97 -8.645 6.758 -10.034 712 HA GLU 97 HA GLU 97 -9.547 4.273 -8.971 713 HB2 GLU 97 1HB GLU 97 -9.072 2.805 -10.777 714 HB3 GLU 97 2HB GLU 97 -10.117 4.063 -11.423 715 HG2 GLU 97 1HG GLU 97 -7.122 4.049 -11.696 716 HG3 GLU 97 2HG GLU 97 -8.236 3.426 -12.911 717 H LEU 98 H LEU 98 -7.708 2.703 -8.744 718 HA LEU 98 HA LEU 98 -5.151 4.152 -8.528 719 HB2 LEU 98 1HB LEU 98 -6.315 3.634 -6.362 720 HB3 LEU 98 2HB LEU 98 -6.085 1.926 -6.729 721 HG LEU 98 HG LEU 98 -3.588 2.454 -6.811 722 HD11 LEU 98 1HD1 LEU 98 -4.166 4.987 -6.841 723 HD12 LEU 98 2HD1 LEU 98 -2.768 4.420 -5.929 724 HD13 LEU 98 3HD1 LEU 98 -4.273 4.797 -5.091 725 HD21 LEU 98 1HD2 LEU 98 -5.243 2.531 -4.306 726 HD22 LEU 98 2HD2 LEU 98 -3.480 2.494 -4.264 727 HD23 LEU 98 3HD2 LEU 98 -4.374 1.169 -5.011 728 H MET 99 H MET 99 -3.503 3.312 -9.622 729 HA MET 99 HA MET 99 -3.764 0.562 -10.632 730 HB2 MET 99 1HB MET 99 -3.552 2.596 -12.218 731 HB3 MET 99 2HB MET 99 -1.861 2.609 -11.736 732 HG2 MET 99 1HG MET 99 -1.476 0.478 -12.663 733 HG3 MET 99 2HG MET 99 -3.200 0.165 -12.846 734 HE1 MET 99 1HE MET 99 -3.723 -0.220 -15.330 735 HE2 MET 99 2HE MET 99 -4.698 1.085 -14.654 736 HE3 MET 99 3HE MET 99 -4.004 1.247 -16.268 737 H LEU 100 H LEU 100 -2.750 -0.746 -9.222 738 HA LEU 100 HA LEU 100 -0.125 0.058 -8.185 739 HB2 LEU 100 1HB LEU 100 -1.814 -2.278 -7.318 740 HB3 LEU 100 2HB LEU 100 -0.408 -1.607 -6.494 741 HG LEU 100 HG LEU 100 -2.934 -0.023 -6.875 742 HD11 LEU 100 1HD1 LEU 100 -2.232 -1.860 -4.590 743 HD12 LEU 100 2HD1 LEU 100 -3.573 -2.050 -5.719 744 HD13 LEU 100 3HD1 LEU 100 -3.555 -0.695 -4.592 745 HD21 LEU 100 1HD2 LEU 100 -2.078 1.369 -5.187 746 HD22 LEU 100 2HD2 LEU 100 -0.709 1.042 -6.250 747 HD23 LEU 100 3HD2 LEU 100 -0.857 0.187 -4.714 748 H LEU 101 H LEU 101 1.635 -1.432 -8.223 749 HA LEU 101 HA LEU 101 1.415 -3.489 -10.321 750 HB2 LEU 101 1HB LEU 101 2.721 -1.332 -10.847 751 HB3 LEU 101 2HB LEU 101 3.942 -1.979 -9.753 752 HG LEU 101 HG LEU 101 4.180 -3.947 -11.207 753 HD11 LEU 101 1HD1 LEU 101 3.021 -3.096 -13.598 754 HD12 LEU 101 2HD1 LEU 101 1.773 -2.884 -12.372 755 HD13 LEU 101 3HD1 LEU 101 2.528 -4.461 -12.596 756 HD21 LEU 101 1HD2 LEU 101 4.636 -1.184 -12.228 757 HD22 LEU 101 2HD2 LEU 101 4.996 -2.558 -13.274 758 HD23 LEU 101 3HD2 LEU 101 5.801 -2.403 -11.712 759 H VAL 102 H VAL 102 1.307 -5.314 -9.127 760 HA VAL 102 HA VAL 102 3.350 -5.722 -7.046 761 HB VAL 102 HB VAL 102 1.930 -7.397 -6.070 762 HG11 VAL 102 1HG1 VAL 102 1.476 -5.073 -5.461 763 HG12 VAL 102 2HG1 VAL 102 0.300 -4.957 -6.772 764 HG13 VAL 102 3HG1 VAL 102 0.007 -6.047 -5.416 765 HG21 VAL 102 1HG2 VAL 102 -0.272 -7.947 -6.998 766 HG22 VAL 102 2HG2 VAL 102 0.061 -6.917 -8.390 767 HG23 VAL 102 3HG2 VAL 102 1.028 -8.366 -8.115 768 H ARG 103 H ARG 103 4.665 -7.508 -7.085 769 HA ARG 103 HA ARG 103 4.917 -8.827 -9.661 770 HB2 ARG 103 1HB ARG 103 6.806 -7.867 -8.062 771 HB3 ARG 103 2HB ARG 103 6.701 -9.477 -7.363 772 HG2 ARG 103 1HG ARG 103 6.985 -9.189 -10.315 773 HG3 ARG 103 2HG ARG 103 8.395 -8.966 -9.278 774 HD2 ARG 103 1HD ARG 103 8.282 -11.161 -8.462 775 HD3 ARG 103 2HD ARG 103 6.626 -11.376 -9.030 776 HE ARG 103 HE ARG 103 8.004 -10.984 -11.318 777 HH11 ARG 103 2HH1 ARG 103 8.451 -13.124 -8.608 778 HH12 ARG 103 1HH1 ARG 103 9.199 -14.371 -9.549 779 HH21 ARG 103 2HH2 ARG 103 8.987 -12.619 -12.568 780 HH22 ARG 103 1HH2 ARG 103 9.504 -14.083 -11.802 781 HA PRO 104 HA PRO 104 2.790 -12.484 -8.402 782 HB2 PRO 104 1HB PRO 104 3.715 -14.144 -10.340 783 HB3 PRO 104 2HB PRO 104 2.502 -12.894 -10.644 784 HG2 PRO 104 1HG PRO 104 5.449 -12.840 -11.166 785 HG3 PRO 104 2HG PRO 104 4.120 -12.274 -12.194 786 HD2 PRO 104 1HD PRO 104 5.616 -10.592 -10.689 787 HD3 PRO 104 2HD PRO 104 3.900 -10.293 -11.036 788 H ASN 105 H ASN 105 3.198 -14.113 -7.018 789 HA ASN 105 HA ASN 105 6.005 -14.946 -6.675 790 HB2 ASN 105 1HB ASN 105 4.984 -13.615 -4.783 791 HB3 ASN 105 2HB ASN 105 3.877 -14.961 -4.530 792 HD21 ASN 105 1HD2 ASN 105 4.469 -16.167 -2.894 793 HD22 ASN 105 2HD2 ASN 105 6.090 -16.570 -2.452 794 H ALA 106 H ALA 106 6.019 -16.777 -7.907 795 HA ALA 106 HA ALA 106 3.907 -18.742 -7.681 796 HB1 ALA 106 1HB ALA 106 5.008 -19.922 -9.415 797 HB2 ALA 106 2HB ALA 106 5.128 -18.209 -9.821 798 HB3 ALA 106 3HB ALA 106 6.519 -19.054 -9.142 799 H VAL 107 H VAL 107 5.689 -18.040 -5.361 800 HA VAL 107 HA VAL 107 6.850 -20.699 -4.856 801 HB VAL 107 HB VAL 107 7.460 -18.068 -3.502 802 HG11 VAL 107 1HG1 VAL 107 8.073 -20.857 -2.814 803 HG12 VAL 107 2HG1 VAL 107 9.455 -19.759 -2.782 804 HG13 VAL 107 3HG1 VAL 107 8.032 -19.418 -1.796 805 HG21 VAL 107 1HG2 VAL 107 9.791 -18.892 -4.572 806 HG22 VAL 107 2HG2 VAL 107 8.660 -19.532 -5.764 807 HG23 VAL 107 3HG2 VAL 107 8.668 -17.808 -5.393 808 H TYR 108 H TYR 108 5.509 -21.960 -3.748 809 HA TYR 108 HA TYR 108 4.089 -20.799 -1.446 810 HB2 TYR 108 1HB TYR 108 2.307 -22.606 -1.995 811 HB3 TYR 108 2HB TYR 108 2.319 -21.115 -2.929 812 HD1 TYR 108 2HD TYR 108 3.428 -24.659 -2.998 813 HD2 TYR 108 1HD TYR 108 2.544 -21.168 -5.265 814 HE1 TYR 108 2HE TYR 108 3.608 -25.968 -5.073 815 HE2 TYR 108 1HE TYR 108 2.721 -22.468 -7.346 816 HH TYR 108 HH TYR 108 2.940 -25.914 -7.346 817 H ASP 109 H ASP 109 3.206 -22.696 -0.030 818 HA ASP 109 HA ASP 109 4.816 -25.077 0.004 819 HB2 ASP 109 1HB ASP 109 6.491 -23.869 1.072 820 HB3 ASP 109 2HB ASP 109 5.345 -22.824 1.907 821 H VAL 110 H VAL 110 4.131 -26.602 1.613 822 HA VAL 110 HA VAL 110 1.460 -25.993 2.705 823 HB VAL 110 HB VAL 110 2.516 -28.658 1.748 824 HG11 VAL 110 1HG1 VAL 110 0.864 -28.514 3.760 825 HG12 VAL 110 2HG1 VAL 110 -0.326 -28.144 2.510 826 HG13 VAL 110 3HG1 VAL 110 0.566 -29.665 2.457 827 HG21 VAL 110 1HG2 VAL 110 1.942 -27.040 -0.043 828 HG22 VAL 110 2HG2 VAL 110 0.914 -28.472 -0.040 829 HG23 VAL 110 3HG2 VAL 110 0.306 -26.950 0.610 830 H VAL 111 H VAL 111 1.793 -25.562 4.808 831 HA VAL 111 HA VAL 111 3.498 -27.400 6.352 832 HB VAL 111 HB VAL 111 4.211 -25.055 6.450 833 HG11 VAL 111 1HG1 VAL 111 2.335 -23.738 6.134 834 HG12 VAL 111 2HG1 VAL 111 1.377 -24.639 7.311 835 HG13 VAL 111 3HG1 VAL 111 2.643 -23.539 7.859 836 HG21 VAL 111 1HG2 VAL 111 3.020 -25.859 9.096 837 HG22 VAL 111 2HG2 VAL 111 4.447 -26.629 8.401 838 HG23 VAL 111 3HG2 VAL 111 4.481 -24.913 8.808 839 H GLU 112 H GLU 112 2.752 -28.261 8.300 840 HA GLU 112 HA GLU 112 0.037 -27.723 9.160 841 HB2 GLU 112 1HB GLU 112 -0.814 -29.918 8.881 842 HB3 GLU 112 2HB GLU 112 -0.103 -29.472 7.337 843 HG2 GLU 112 1HG GLU 112 0.595 -31.659 7.663 844 HG3 GLU 112 2HG GLU 112 1.987 -30.695 8.154 845 H GLU 113 H GLU 113 -0.420 -28.488 11.257 846 HA GLU 113 HA GLU 113 1.317 -30.134 12.753 847 HB2 GLU 113 1HB GLU 113 2.731 -28.053 12.483 848 HB3 GLU 113 2HB GLU 113 1.533 -27.206 13.452 849 HG2 GLU 113 1HG GLU 113 1.954 -29.043 15.199 850 HG3 GLU 113 2HG GLU 113 3.413 -29.384 14.270 851 H SER 114 H SER 114 -0.273 -31.104 13.838 852 HA SER 114 HA SER 114 -2.136 -29.405 15.362 853 HB2 SER 114 1HB SER 114 -3.874 -31.123 15.032 854 HB3 SER 114 2HB SER 114 -3.320 -30.465 13.493 855 HG SER 114 HG SER 114 -3.430 -32.718 13.381 856 H GLY 115 H GLY 115 -3.122 -30.573 17.248 857 HA2 GLY 115 1HA GLY 115 -1.618 -32.809 18.310 858 HA3 GLY 115 2HA GLY 115 -1.355 -31.288 19.150 859 HA PRO 116 HA PRO 116 -5.459 -33.539 20.322 860 HB2 PRO 116 1HB PRO 116 -4.615 -35.264 22.241 861 HB3 PRO 116 2HB PRO 116 -4.760 -35.717 20.539 862 HG2 PRO 116 1HG PRO 116 -2.324 -34.919 22.086 863 HG3 PRO 116 2HG PRO 116 -2.521 -36.228 20.905 864 HD2 PRO 116 1HD PRO 116 -1.373 -33.857 20.276 865 HD3 PRO 116 2HD PRO 116 -2.314 -34.804 19.105 866 H SER 117 H SER 117 -6.347 -33.650 22.643 867 HA SER 117 HA SER 117 -5.110 -31.495 24.230 868 HB2 SER 117 1HB SER 117 -8.045 -32.192 23.958 869 HB3 SER 117 2HB SER 117 -7.391 -30.931 25.003 870 HG SER 117 HG SER 117 -6.457 -30.067 22.975 871 H SER 118 H SER 118 -4.728 -31.841 26.347 872 HA SER 118 HA SER 118 -5.301 -34.523 27.376 873 HB2 SER 118 1HB SER 118 -3.252 -32.432 28.036 874 HB3 SER 118 2HB SER 118 -3.643 -33.684 29.215 875 HG SER 118 HG SER 118 -2.522 -33.959 26.642 876 H GLY 119 H GLY 119 -5.376 -31.131 28.475 877 HA2 GLY 119 1HA GLY 119 -7.693 -31.836 30.152 878 HA3 GLY 119 2HA GLY 119 -6.346 -30.947 30.847 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -3.625 -30.918 -41.369 2 HA2 GLY 1 1HA GLY 1 -3.592 -28.807 -40.305 3 HA3 GLY 1 2HA GLY 1 -2.296 -29.378 -39.265 4 H SER 2 H SER 2 -0.635 -28.042 -39.586 5 HA SER 2 HA SER 2 0.376 -27.760 -42.324 6 HB2 SER 2 1HB SER 2 -0.987 -25.709 -41.390 7 HB3 SER 2 2HB SER 2 0.503 -25.384 -40.504 8 HG SER 2 HG SER 2 1.584 -25.464 -42.567 9 H SER 3 H SER 3 2.626 -27.383 -42.478 10 HA SER 3 HA SER 3 4.106 -28.440 -40.210 11 HB2 SER 3 1HB SER 3 4.621 -29.421 -42.350 12 HB3 SER 3 2HB SER 3 4.917 -27.834 -43.061 13 HG SER 3 HG SER 3 6.479 -29.271 -41.209 14 H GLY 4 H GLY 4 5.381 -27.282 -38.899 15 HA2 GLY 4 1HA GLY 4 6.203 -25.391 -37.866 16 HA3 GLY 4 2HA GLY 4 6.961 -25.127 -39.429 17 H SER 5 H SER 5 6.708 -22.847 -38.621 18 HA SER 5 HA SER 5 4.240 -21.752 -39.740 19 HB2 SER 5 1HB SER 5 5.169 -21.433 -36.920 20 HB3 SER 5 2HB SER 5 4.413 -20.051 -37.711 21 HG SER 5 HG SER 5 2.591 -21.333 -38.097 22 H SER 6 H SER 6 4.406 -19.502 -40.326 23 HA SER 6 HA SER 6 7.024 -18.854 -41.328 24 HB2 SER 6 1HB SER 6 5.926 -16.980 -42.430 25 HB3 SER 6 2HB SER 6 4.961 -18.440 -42.648 26 HG SER 6 HG SER 6 3.399 -17.317 -41.821 27 H GLY 7 H GLY 7 8.291 -17.071 -40.805 28 HA2 GLY 7 1HA GLY 7 9.290 -15.587 -39.366 29 HA3 GLY 7 2HA GLY 7 7.660 -15.002 -39.065 30 H ASN 8 H ASN 8 7.288 -14.878 -36.961 31 HA ASN 8 HA ASN 8 7.927 -17.188 -35.282 32 HB2 ASN 8 1HB ASN 8 8.692 -15.570 -33.475 33 HB3 ASN 8 2HB ASN 8 9.797 -15.794 -34.828 34 HD21 ASN 8 1HD2 ASN 8 7.883 -13.597 -33.061 35 HD22 ASN 8 2HD2 ASN 8 8.245 -12.181 -33.984 36 H GLY 9 H GLY 9 6.608 -17.415 -33.440 37 HA2 GLY 9 1HA GLY 9 4.248 -15.635 -33.413 38 HA3 GLY 9 2HA GLY 9 4.122 -17.376 -33.216 39 H GLY 10 H GLY 10 3.008 -15.720 -31.347 40 HA2 GLY 10 1HA GLY 10 2.993 -16.162 -28.980 41 HA3 GLY 10 2HA GLY 10 4.748 -16.244 -29.028 42 H ILE 11 H ILE 11 2.225 -13.891 -29.941 43 HA ILE 11 HA ILE 11 3.586 -11.563 -29.791 44 HB ILE 11 HB ILE 11 1.545 -10.432 -29.103 45 HG12 ILE 11 1HG1 ILE 11 0.943 -12.079 -27.312 46 HG13 ILE 11 2HG1 ILE 11 -0.409 -11.610 -28.337 47 HG21 ILE 11 1HG2 ILE 11 0.020 -12.082 -30.718 48 HG22 ILE 11 2HG2 ILE 11 1.051 -10.755 -31.250 49 HG23 ILE 11 3HG2 ILE 11 1.679 -12.402 -31.223 50 HD11 ILE 11 1HD1 ILE 11 0.301 -13.766 -29.669 51 HD12 ILE 11 2HD1 ILE 11 0.985 -14.215 -28.107 52 HD13 ILE 11 3HD1 ILE 11 -0.735 -13.855 -28.245 53 HA PRO 12 HA PRO 12 5.141 -10.983 -25.721 54 HB2 PRO 12 1HB PRO 12 5.163 -8.271 -25.599 55 HB3 PRO 12 2HB PRO 12 6.312 -9.198 -26.571 56 HG2 PRO 12 1HG PRO 12 3.810 -7.794 -27.424 57 HG3 PRO 12 2HG PRO 12 5.395 -7.836 -28.217 58 HD2 PRO 12 1HD PRO 12 3.321 -9.378 -29.024 59 HD3 PRO 12 2HD PRO 12 5.011 -9.905 -29.156 60 H HIS 13 H HIS 13 4.343 -10.898 -23.697 61 HA HIS 13 HA HIS 13 1.820 -9.461 -23.236 62 HB2 HIS 13 1HB HIS 13 1.612 -12.031 -23.548 63 HB3 HIS 13 2HB HIS 13 2.337 -12.126 -21.946 64 HD1 HIS 13 1HD HIS 13 0.370 -12.864 -20.586 65 HD2 HIS 13 2HD HIS 13 -0.495 -9.577 -22.976 66 HE1 HIS 13 1HE HIS 13 -1.923 -12.106 -19.884 67 HE2 HIS 13 2HE HIS 13 -2.460 -10.169 -21.402 68 H ASP 14 H ASP 14 1.385 -9.073 -20.919 69 HA ASP 14 HA ASP 14 3.791 -8.165 -19.614 70 HB2 ASP 14 1HB ASP 14 0.876 -7.986 -18.827 71 HB3 ASP 14 2HB ASP 14 2.194 -7.264 -17.907 72 H ASN 15 H ASN 15 4.943 -9.892 -18.859 73 HA ASN 15 HA ASN 15 4.034 -12.227 -17.733 74 HB2 ASN 15 1HB ASN 15 6.382 -11.883 -18.262 75 HB3 ASN 15 2HB ASN 15 6.514 -10.653 -17.008 76 HD21 ASN 15 1HD2 ASN 15 8.255 -12.687 -16.966 77 HD22 ASN 15 2HD2 ASN 15 7.905 -13.770 -15.665 78 H LEU 16 H LEU 16 4.721 -9.163 -16.076 79 HA LEU 16 HA LEU 16 3.959 -10.148 -13.503 80 HB2 LEU 16 1HB LEU 16 4.653 -7.489 -14.654 81 HB3 LEU 16 2HB LEU 16 3.841 -7.552 -13.091 82 HG LEU 16 HG LEU 16 6.285 -7.338 -12.892 83 HD11 LEU 16 1HD1 LEU 16 4.614 -9.315 -11.647 84 HD12 LEU 16 2HD1 LEU 16 5.895 -8.327 -10.946 85 HD13 LEU 16 3HD1 LEU 16 6.287 -9.870 -11.704 86 HD21 LEU 16 1HD2 LEU 16 7.096 -8.473 -14.800 87 HD22 LEU 16 2HD2 LEU 16 6.252 -9.960 -14.367 88 HD23 LEU 16 3HD2 LEU 16 7.629 -9.415 -13.407 89 H VAL 17 H VAL 17 2.122 -9.527 -12.271 90 HA VAL 17 HA VAL 17 -0.279 -9.254 -13.900 91 HB VAL 17 HB VAL 17 -0.133 -11.004 -12.125 92 HG11 VAL 17 1HG1 VAL 17 0.607 -10.471 -10.102 93 HG12 VAL 17 2HG1 VAL 17 0.657 -8.764 -10.545 94 HG13 VAL 17 3HG1 VAL 17 -0.815 -9.456 -9.862 95 HG21 VAL 17 1HG2 VAL 17 -2.382 -10.799 -11.457 96 HG22 VAL 17 2HG2 VAL 17 -2.323 -9.037 -11.507 97 HG23 VAL 17 3HG2 VAL 17 -2.280 -9.964 -13.007 98 H LEU 18 H LEU 18 -1.875 -7.680 -13.535 99 HA LEU 18 HA LEU 18 -0.898 -5.269 -12.152 100 HB2 LEU 18 1HB LEU 18 -1.058 -4.953 -14.548 101 HB3 LEU 18 2HB LEU 18 -2.728 -5.518 -14.535 102 HG LEU 18 HG LEU 18 -3.064 -3.469 -12.917 103 HD11 LEU 18 1HD1 LEU 18 -1.182 -2.309 -12.614 104 HD12 LEU 18 2HD1 LEU 18 -1.442 -1.708 -14.251 105 HD13 LEU 18 3HD1 LEU 18 -0.376 -3.085 -13.977 106 HD21 LEU 18 1HD2 LEU 18 -2.686 -2.790 -15.803 107 HD22 LEU 18 2HD2 LEU 18 -3.977 -2.316 -14.699 108 HD23 LEU 18 3HD2 LEU 18 -3.911 -3.965 -15.324 109 H ILE 19 H ILE 19 -2.299 -4.115 -10.845 110 HA ILE 19 HA ILE 19 -4.830 -5.480 -10.196 111 HB ILE 19 HB ILE 19 -3.032 -3.900 -8.354 112 HG12 ILE 19 1HG1 ILE 19 -2.427 -6.317 -9.076 113 HG13 ILE 19 2HG1 ILE 19 -2.409 -5.922 -7.361 114 HG21 ILE 19 1HG2 ILE 19 -5.729 -5.159 -7.924 115 HG22 ILE 19 2HG2 ILE 19 -4.645 -4.742 -6.599 116 HG23 ILE 19 3HG2 ILE 19 -5.255 -3.480 -7.668 117 HD11 ILE 19 1HD1 ILE 19 -4.890 -7.041 -8.564 118 HD12 ILE 19 2HD1 ILE 19 -3.534 -8.112 -8.211 119 HD13 ILE 19 3HD1 ILE 19 -4.275 -7.171 -6.917 120 H ARG 20 H ARG 20 -6.619 -4.361 -10.570 121 HA ARG 20 HA ARG 20 -6.446 -1.420 -10.650 122 HB2 ARG 20 1HB ARG 20 -7.778 -3.352 -12.500 123 HB3 ARG 20 2HB ARG 20 -8.507 -1.770 -12.260 124 HG2 ARG 20 1HG ARG 20 -6.547 -0.666 -13.062 125 HG3 ARG 20 2HG ARG 20 -5.651 -2.186 -13.106 126 HD2 ARG 20 1HD ARG 20 -8.176 -1.964 -14.669 127 HD3 ARG 20 2HD ARG 20 -6.728 -1.168 -15.283 128 HE ARG 20 HE ARG 20 -6.379 -3.940 -14.545 129 HH11 ARG 20 2HH1 ARG 20 -7.154 -1.681 -17.079 130 HH12 ARG 20 1HH1 ARG 20 -6.732 -2.771 -18.358 131 HH21 ARG 20 2HH2 ARG 20 -5.821 -5.384 -16.220 132 HH22 ARG 20 1HH2 ARG 20 -5.975 -4.877 -17.868 133 H MET 21 H MET 21 -7.959 -0.280 -9.550 134 HA MET 21 HA MET 21 -10.444 -1.419 -8.700 135 HB2 MET 21 1HB MET 21 -10.073 -1.427 -6.330 136 HB3 MET 21 2HB MET 21 -8.826 -2.416 -7.077 137 HG2 MET 21 1HG MET 21 -8.264 0.455 -6.528 138 HG3 MET 21 2HG MET 21 -8.236 -0.702 -5.199 139 HE1 MET 21 1HE MET 21 -6.747 -3.188 -5.671 140 HE2 MET 21 2HE MET 21 -5.079 -2.626 -5.564 141 HE3 MET 21 3HE MET 21 -6.314 -1.928 -4.516 142 H LYS 22 H LYS 22 -11.801 0.120 -7.589 143 HA LYS 22 HA LYS 22 -10.896 2.902 -7.956 144 HB2 LYS 22 1HB LYS 22 -13.219 3.494 -8.455 145 HB3 LYS 22 2HB LYS 22 -12.620 2.282 -9.580 146 HG2 LYS 22 1HG LYS 22 -13.722 0.586 -7.969 147 HG3 LYS 22 2HG LYS 22 -14.615 1.988 -7.375 148 HD2 LYS 22 1HD LYS 22 -14.477 1.414 -10.310 149 HD3 LYS 22 2HD LYS 22 -15.623 0.547 -9.286 150 HE2 LYS 22 1HE LYS 22 -15.427 3.548 -9.318 151 HE3 LYS 22 2HE LYS 22 -16.467 2.656 -10.428 152 HZ1 LYS 22 1HZ LYS 22 -16.613 2.548 -7.463 153 HZ2 LYS 22 2HZ LYS 22 -17.613 1.699 -8.530 154 HZ3 LYS 22 3HZ LYS 22 -17.679 3.389 -8.472 155 HA PRO 23 HA PRO 23 -11.696 3.628 -3.696 156 HB2 PRO 23 1HB PRO 23 -12.310 6.272 -3.765 157 HB3 PRO 23 2HB PRO 23 -10.667 5.661 -3.989 158 HG2 PRO 23 1HG PRO 23 -12.663 6.524 -6.046 159 HG3 PRO 23 2HG PRO 23 -10.925 6.864 -5.962 160 HD2 PRO 23 1HD PRO 23 -11.959 4.945 -7.569 161 HD3 PRO 23 2HD PRO 23 -10.354 4.804 -6.824 162 H ASP 24 H ASP 24 -13.363 3.812 -2.217 163 HA ASP 24 HA ASP 24 -16.038 3.566 -3.317 164 HB2 ASP 24 1HB ASP 24 -16.646 2.575 -1.320 165 HB3 ASP 24 2HB ASP 24 -14.933 2.167 -1.384 166 H GLU 25 H GLU 25 -17.731 4.576 -1.561 167 HA GLU 25 HA GLU 25 -17.950 7.251 -2.152 168 HB2 GLU 25 1HB GLU 25 -19.003 5.788 0.274 169 HB3 GLU 25 2HB GLU 25 -19.527 7.390 -0.228 170 HG2 GLU 25 1HG GLU 25 -20.416 6.508 -2.283 171 HG3 GLU 25 2HG GLU 25 -19.784 4.906 -1.907 172 H ASN 26 H ASN 26 -16.732 5.861 0.895 173 HA ASN 26 HA ASN 26 -15.992 8.349 2.023 174 HB2 ASN 26 1HB ASN 26 -15.209 5.503 2.640 175 HB3 ASN 26 2HB ASN 26 -14.574 6.868 3.553 176 HD21 ASN 26 1HD2 ASN 26 -16.821 4.545 3.617 177 HD22 ASN 26 2HD2 ASN 26 -18.032 5.308 4.586 178 H GLY 27 H GLY 27 -14.537 6.360 -0.350 179 HA2 GLY 27 1HA GLY 27 -12.691 6.830 -1.671 180 HA3 GLY 27 2HA GLY 27 -12.363 8.229 -0.659 181 H ARG 28 H ARG 28 -12.654 4.813 0.254 182 HA ARG 28 HA ARG 28 -9.790 4.750 0.860 183 HB2 ARG 28 1HB ARG 28 -12.034 4.421 2.814 184 HB3 ARG 28 2HB ARG 28 -10.554 3.500 3.042 185 HG2 ARG 28 1HG ARG 28 -9.259 5.540 3.145 186 HG3 ARG 28 2HG ARG 28 -10.703 6.498 2.813 187 HD2 ARG 28 1HD ARG 28 -10.364 6.612 5.148 188 HD3 ARG 28 2HD ARG 28 -11.700 5.487 4.902 189 HE ARG 28 HE ARG 28 -10.382 3.779 5.705 190 HH11 ARG 28 2HH1 ARG 28 -8.440 6.616 5.158 191 HH12 ARG 28 1HH1 ARG 28 -7.049 5.980 5.973 192 HH21 ARG 28 2HH2 ARG 28 -8.558 2.931 6.781 193 HH22 ARG 28 1HH2 ARG 28 -7.117 3.884 6.895 194 H PHE 29 H PHE 29 -8.856 2.718 0.774 195 HA PHE 29 HA PHE 29 -10.496 0.678 -0.530 196 HB2 PHE 29 1HB PHE 29 -7.494 0.901 -0.227 197 HB3 PHE 29 2HB PHE 29 -8.329 -0.372 -1.111 198 HD1 PHE 29 1HD PHE 29 -9.519 0.148 -3.199 199 HD2 PHE 29 2HD PHE 29 -7.185 3.065 -1.161 200 HE1 PHE 29 1HE PHE 29 -9.490 1.538 -5.229 201 HE2 PHE 29 2HE PHE 29 -7.153 4.461 -3.187 202 HZ PHE 29 HZ PHE 29 -8.307 3.698 -5.224 203 H GLY 30 H GLY 30 -9.410 -1.653 0.008 204 HA2 GLY 30 1HA GLY 30 -9.394 -1.887 2.953 205 HA3 GLY 30 2HA GLY 30 -10.357 -2.962 1.950 206 H PHE 31 H PHE 31 -7.012 -1.889 2.477 207 HA PHE 31 HA PHE 31 -6.059 -4.577 2.554 208 HB2 PHE 31 1HB PHE 31 -4.703 -4.600 0.579 209 HB3 PHE 31 2HB PHE 31 -6.341 -4.186 0.084 210 HD1 PHE 31 1HD PHE 31 -2.976 -2.814 0.728 211 HD2 PHE 31 2HD PHE 31 -6.817 -2.134 -0.975 212 HE1 PHE 31 1HE PHE 31 -2.122 -0.791 -0.382 213 HE2 PHE 31 2HE PHE 31 -5.969 -0.111 -2.088 214 HZ PHE 31 HZ PHE 31 -3.619 0.563 -1.793 215 H ASN 32 H ASN 32 -4.295 -4.652 3.799 216 HA ASN 32 HA ASN 32 -2.910 -2.118 4.357 217 HB2 ASN 32 1HB ASN 32 -3.572 -4.505 6.022 218 HB3 ASN 32 2HB ASN 32 -2.104 -3.609 6.402 219 HD21 ASN 32 1HD2 ASN 32 -3.961 -3.703 8.292 220 HD22 ASN 32 2HD2 ASN 32 -4.784 -2.191 8.445 221 H VAL 33 H VAL 33 -0.597 -2.211 4.759 222 HA VAL 33 HA VAL 33 0.756 -4.473 3.455 223 HB VAL 33 HB VAL 33 2.291 -2.958 2.317 224 HG11 VAL 33 1HG1 VAL 33 -0.551 -3.125 1.765 225 HG12 VAL 33 2HG1 VAL 33 0.181 -1.679 1.066 226 HG13 VAL 33 3HG1 VAL 33 0.823 -3.274 0.670 227 HG21 VAL 33 1HG2 VAL 33 0.839 -0.936 3.904 228 HG22 VAL 33 2HG2 VAL 33 2.525 -0.978 3.387 229 HG23 VAL 33 3HG2 VAL 33 1.268 -0.476 2.256 230 H LYS 34 H LYS 34 3.149 -4.445 3.889 231 HA LYS 34 HA LYS 34 3.975 -3.060 6.301 232 HB2 LYS 34 1HB LYS 34 4.580 -5.094 7.504 233 HB3 LYS 34 2HB LYS 34 2.853 -5.064 7.174 234 HG2 LYS 34 1HG LYS 34 3.209 -6.580 5.273 235 HG3 LYS 34 2HG LYS 34 4.929 -6.640 5.665 236 HD2 LYS 34 1HD LYS 34 4.428 -7.616 7.830 237 HD3 LYS 34 2HD LYS 34 2.697 -7.482 7.514 238 HE2 LYS 34 1HE LYS 34 2.898 -9.034 5.654 239 HE3 LYS 34 2HE LYS 34 4.641 -9.130 5.899 240 HZ1 LYS 34 1HZ LYS 34 4.376 -10.299 7.872 241 HZ2 LYS 34 2HZ LYS 34 3.189 -10.970 6.871 242 HZ3 LYS 34 3HZ LYS 34 2.757 -9.845 8.058 243 H GLY 35 H GLY 35 6.112 -2.628 6.293 244 HA2 GLY 35 1HA GLY 35 8.396 -3.307 5.853 245 HA3 GLY 35 2HA GLY 35 7.814 -4.149 4.424 246 H GLY 36 H GLY 36 9.955 -2.272 4.480 247 HA2 GLY 36 1HA GLY 36 9.186 -0.625 2.294 248 HA3 GLY 36 2HA GLY 36 9.322 0.329 3.764 249 H TYR 37 H TYR 37 11.030 1.473 2.652 250 HA TYR 37 HA TYR 37 13.456 0.076 1.990 251 HB2 TYR 37 1HB TYR 37 13.016 1.988 0.668 252 HB3 TYR 37 2HB TYR 37 12.683 2.987 2.079 253 HD1 TYR 37 2HD TYR 37 15.318 1.453 0.033 254 HD2 TYR 37 1HD TYR 37 14.478 3.989 3.344 255 HE1 TYR 37 2HE TYR 37 17.654 2.225 0.027 256 HE2 TYR 37 1HE TYR 37 16.811 4.768 3.347 257 HH TYR 37 HH TYR 37 18.746 4.788 1.175 258 H ASP 38 H ASP 38 12.189 1.824 4.725 259 HA ASP 38 HA ASP 38 14.672 2.200 6.070 260 HB2 ASP 38 1HB ASP 38 12.321 3.332 6.437 261 HB3 ASP 38 2HB ASP 38 12.086 1.995 7.560 262 H GLN 39 H GLN 39 12.196 -0.306 6.117 263 HA GLN 39 HA GLN 39 13.589 -1.784 8.195 264 HB2 GLN 39 1HB GLN 39 11.086 -2.431 6.628 265 HB3 GLN 39 2HB GLN 39 11.730 -3.408 7.941 266 HG2 GLN 39 1HG GLN 39 10.103 -2.187 9.003 267 HG3 GLN 39 2HG GLN 39 11.546 -1.226 9.322 268 HE21 GLN 39 1HE2 GLN 39 10.969 0.825 9.318 269 HE22 GLN 39 2HE2 GLN 39 9.991 1.603 8.126 270 H LYS 40 H LYS 40 14.508 -1.297 5.276 271 HA LYS 40 HA LYS 40 15.467 -2.470 3.553 272 HB2 LYS 40 1HB LYS 40 16.394 -3.885 6.044 273 HB3 LYS 40 2HB LYS 40 16.996 -4.330 4.452 274 HG2 LYS 40 1HG LYS 40 17.534 -1.790 4.250 275 HG3 LYS 40 2HG LYS 40 17.434 -1.827 6.012 276 HD2 LYS 40 1HD LYS 40 19.054 -3.787 5.904 277 HD3 LYS 40 2HD LYS 40 19.310 -3.345 4.215 278 HE2 LYS 40 1HE LYS 40 20.257 -1.286 4.776 279 HE3 LYS 40 2HE LYS 40 19.588 -1.318 6.407 280 HZ1 LYS 40 1HZ LYS 40 21.319 -3.534 5.911 281 HZ2 LYS 40 2HZ LYS 40 21.361 -2.395 7.161 282 HZ3 LYS 40 3HZ LYS 40 22.115 -2.058 5.685 283 H MET 41 H MET 41 12.743 -3.309 4.235 284 HA MET 41 HA MET 41 12.872 -6.026 3.117 285 HB2 MET 41 1HB MET 41 11.248 -6.854 4.561 286 HB3 MET 41 2HB MET 41 12.218 -5.839 5.620 287 HG2 MET 41 1HG MET 41 10.595 -4.104 5.580 288 HG3 MET 41 2HG MET 41 9.689 -4.903 4.297 289 HE1 MET 41 1HE MET 41 8.535 -8.076 5.762 290 HE2 MET 41 2HE MET 41 7.350 -6.821 5.398 291 HE3 MET 41 3HE MET 41 8.771 -7.017 4.371 292 HA PRO 42 HA PRO 42 10.118 -4.583 0.016 293 HB2 PRO 42 1HB PRO 42 8.763 -6.863 -0.564 294 HB3 PRO 42 2HB PRO 42 10.446 -6.599 -1.036 295 HG2 PRO 42 1HG PRO 42 9.348 -8.138 1.285 296 HG3 PRO 42 2HG PRO 42 10.670 -8.566 0.184 297 HD2 PRO 42 1HD PRO 42 11.105 -7.557 2.658 298 HD3 PRO 42 2HD PRO 42 12.192 -7.236 1.292 299 H VAL 43 H VAL 43 7.920 -4.096 -0.443 300 HA VAL 43 HA VAL 43 6.251 -4.000 1.944 301 HB VAL 43 HB VAL 43 5.837 -2.708 -0.756 302 HG11 VAL 43 1HG1 VAL 43 4.106 -1.409 0.292 303 HG12 VAL 43 2HG1 VAL 43 3.759 -3.122 0.538 304 HG13 VAL 43 3HG1 VAL 43 4.432 -2.160 1.854 305 HG21 VAL 43 1HG2 VAL 43 7.657 -2.064 1.273 306 HG22 VAL 43 2HG2 VAL 43 7.201 -1.073 -0.113 307 HG23 VAL 43 3HG2 VAL 43 6.343 -0.896 1.418 308 H ILE 44 H ILE 44 5.244 -5.927 2.219 309 HA ILE 44 HA ILE 44 3.677 -6.967 -0.050 310 HB ILE 44 HB ILE 44 4.863 -8.423 2.309 311 HG12 ILE 44 1HG1 ILE 44 5.657 -9.816 0.180 312 HG13 ILE 44 2HG1 ILE 44 5.417 -8.265 -0.617 313 HG21 ILE 44 1HG2 ILE 44 3.823 -10.440 1.012 314 HG22 ILE 44 2HG2 ILE 44 2.845 -9.515 2.151 315 HG23 ILE 44 3HG2 ILE 44 2.697 -9.219 0.419 316 HD11 ILE 44 1HD1 ILE 44 7.101 -7.244 0.587 317 HD12 ILE 44 2HD1 ILE 44 7.043 -8.442 1.880 318 HD13 ILE 44 3HD1 ILE 44 7.742 -8.864 0.317 319 H VAL 45 H VAL 45 1.530 -7.460 0.235 320 HA VAL 45 HA VAL 45 0.010 -5.961 1.995 321 HB VAL 45 HB VAL 45 -0.710 -8.547 0.614 322 HG11 VAL 45 1HG1 VAL 45 -2.216 -8.266 2.459 323 HG12 VAL 45 2HG1 VAL 45 -2.464 -6.566 2.057 324 HG13 VAL 45 3HG1 VAL 45 -3.064 -7.825 0.977 325 HG21 VAL 45 1HG2 VAL 45 -1.587 -7.244 -1.118 326 HG22 VAL 45 2HG2 VAL 45 -1.580 -5.775 -0.141 327 HG23 VAL 45 3HG2 VAL 45 -0.060 -6.456 -0.721 328 H SER 46 H SER 46 -0.528 -6.135 4.073 329 HA SER 46 HA SER 46 0.441 -8.414 5.587 330 HB2 SER 46 1HB SER 46 -0.049 -7.093 7.556 331 HB3 SER 46 2HB SER 46 0.780 -6.069 6.384 332 HG SER 46 HG SER 46 -1.815 -5.942 7.334 333 H ARG 47 H ARG 47 -2.641 -6.613 5.565 334 HA ARG 47 HA ARG 47 -4.073 -9.167 5.683 335 HB2 ARG 47 1HB ARG 47 -3.732 -8.106 7.998 336 HB3 ARG 47 2HB ARG 47 -4.862 -6.870 7.461 337 HG2 ARG 47 1HG ARG 47 -6.126 -8.436 8.680 338 HG3 ARG 47 2HG ARG 47 -6.489 -8.733 6.979 339 HD2 ARG 47 1HD ARG 47 -6.130 -10.877 7.676 340 HD3 ARG 47 2HD ARG 47 -4.487 -10.436 7.213 341 HE ARG 47 HE ARG 47 -5.056 -9.873 9.961 342 HH11 ARG 47 2HH1 ARG 47 -4.103 -12.356 7.716 343 HH12 ARG 47 1HH1 ARG 47 -3.291 -13.310 8.914 344 HH21 ARG 47 2HH2 ARG 47 -3.991 -11.118 11.547 345 HH22 ARG 47 1HH2 ARG 47 -3.229 -12.605 11.093 346 H VAL 48 H VAL 48 -6.198 -9.108 4.877 347 HA VAL 48 HA VAL 48 -7.042 -6.598 3.605 348 HB VAL 48 HB VAL 48 -6.957 -9.288 2.232 349 HG11 VAL 48 1HG1 VAL 48 -7.695 -7.773 0.255 350 HG12 VAL 48 2HG1 VAL 48 -8.903 -8.348 1.406 351 HG13 VAL 48 3HG1 VAL 48 -8.281 -6.701 1.527 352 HG21 VAL 48 1HG2 VAL 48 -5.684 -7.222 0.762 353 HG22 VAL 48 2HG2 VAL 48 -5.054 -7.185 2.409 354 HG23 VAL 48 3HG2 VAL 48 -4.966 -8.672 1.465 355 H ALA 49 H ALA 49 -9.024 -6.114 4.255 356 HA ALA 49 HA ALA 49 -10.723 -8.129 5.450 357 HB1 ALA 49 1HB ALA 49 -10.455 -5.280 5.610 358 HB2 ALA 49 2HB ALA 49 -12.131 -5.708 5.260 359 HB3 ALA 49 3HB ALA 49 -11.326 -6.382 6.677 360 HA PRO 50 HA PRO 50 -13.183 -8.995 1.908 361 HB2 PRO 50 1HB PRO 50 -15.490 -9.739 3.131 362 HB3 PRO 50 2HB PRO 50 -14.041 -10.752 3.113 363 HG2 PRO 50 1HG PRO 50 -15.063 -8.944 5.270 364 HG3 PRO 50 2HG PRO 50 -14.387 -10.578 5.406 365 HD2 PRO 50 1HD PRO 50 -12.941 -8.354 5.948 366 HD3 PRO 50 2HD PRO 50 -12.212 -9.826 5.275 367 H GLY 51 H GLY 51 -15.511 -8.547 1.087 368 HA2 GLY 51 1HA GLY 51 -16.958 -6.948 0.296 369 HA3 GLY 51 2HA GLY 51 -17.088 -6.457 1.978 370 H THR 52 H THR 52 -14.160 -6.317 0.030 371 HA THR 52 HA THR 52 -14.326 -3.375 0.111 372 HB THR 52 HB THR 52 -11.795 -3.412 0.239 373 HG1 THR 52 1HG THR 52 -12.246 -6.097 1.086 374 HG21 THR 52 1HG2 THR 52 -12.882 -2.753 2.205 375 HG22 THR 52 2HG2 THR 52 -11.833 -4.071 2.729 376 HG23 THR 52 3HG2 THR 52 -13.555 -4.359 2.480 377 HA PRO 53 HA PRO 53 -13.606 -3.347 -4.221 378 HB2 PRO 53 1HB PRO 53 -12.209 -1.035 -4.503 379 HB3 PRO 53 2HB PRO 53 -13.939 -1.075 -4.139 380 HG2 PRO 53 1HG PRO 53 -11.622 -0.670 -2.287 381 HG3 PRO 53 2HG PRO 53 -13.175 0.185 -2.340 382 HD2 PRO 53 1HD PRO 53 -12.657 -1.782 -0.554 383 HD3 PRO 53 2HD PRO 53 -14.281 -1.491 -1.209 384 H ALA 54 H ALA 54 -11.213 -3.993 -2.050 385 HA ALA 54 HA ALA 54 -9.130 -4.177 -4.124 386 HB1 ALA 54 1HB ALA 54 -9.045 -3.222 -1.446 387 HB2 ALA 54 2HB ALA 54 -8.021 -4.654 -1.564 388 HB3 ALA 54 3HB ALA 54 -7.748 -3.283 -2.639 389 H ASP 55 H ASP 55 -11.286 -5.976 -2.244 390 HA ASP 55 HA ASP 55 -9.684 -8.425 -2.546 391 HB2 ASP 55 1HB ASP 55 -10.737 -7.610 -0.271 392 HB3 ASP 55 2HB ASP 55 -12.200 -8.336 -0.930 393 H LEU 56 H LEU 56 -12.194 -6.728 -3.945 394 HA LEU 56 HA LEU 56 -13.440 -9.169 -5.017 395 HB2 LEU 56 1HB LEU 56 -14.508 -6.357 -5.149 396 HB3 LEU 56 2HB LEU 56 -15.359 -7.845 -5.561 397 HG LEU 56 HG LEU 56 -14.387 -7.415 -2.766 398 HD11 LEU 56 1HD1 LEU 56 -15.582 -5.365 -3.353 399 HD12 LEU 56 2HD1 LEU 56 -16.493 -6.337 -2.197 400 HD13 LEU 56 3HD1 LEU 56 -16.959 -6.323 -3.898 401 HD21 LEU 56 1HD2 LEU 56 -16.933 -8.579 -2.891 402 HD22 LEU 56 2HD2 LEU 56 -15.401 -9.375 -2.530 403 HD23 LEU 56 3HD2 LEU 56 -15.996 -9.319 -4.189 404 H CYS 57 H CYS 57 -11.726 -6.251 -5.835 405 HA CYS 57 HA CYS 57 -12.205 -6.058 -8.556 406 HB2 CYS 57 1HB CYS 57 -9.860 -5.079 -8.659 407 HB3 CYS 57 2HB CYS 57 -10.969 -4.318 -7.525 408 HG CYS 57 HG CYS 57 -8.605 -6.620 -6.616 409 H VAL 58 H VAL 58 -10.946 -6.735 -10.389 410 HA VAL 58 HA VAL 58 -9.620 -9.335 -9.966 411 HB VAL 58 HB VAL 58 -11.121 -8.469 -12.439 412 HG11 VAL 58 1HG1 VAL 58 -9.754 -11.017 -11.623 413 HG12 VAL 58 2HG1 VAL 58 -10.989 -10.975 -12.883 414 HG13 VAL 58 3HG1 VAL 58 -9.500 -10.048 -13.073 415 HG21 VAL 58 1HG2 VAL 58 -12.492 -10.587 -11.367 416 HG22 VAL 58 2HG2 VAL 58 -12.039 -9.661 -9.936 417 HG23 VAL 58 3HG2 VAL 58 -12.958 -8.891 -11.230 418 HA PRO 59 HA PRO 59 -8.162 -10.596 -10.479 419 HB2 PRO 59 1HB PRO 59 -5.626 -10.706 -9.515 420 HB3 PRO 59 2HB PRO 59 -6.041 -11.139 -11.178 421 HG2 PRO 59 1HG PRO 59 -4.896 -8.585 -10.115 422 HG3 PRO 59 2HG PRO 59 -4.450 -9.490 -11.573 423 HD2 PRO 59 1HD PRO 59 -6.033 -7.295 -11.648 424 HD3 PRO 59 2HD PRO 59 -6.212 -8.641 -12.792 425 H ARG 60 H ARG 60 -7.768 -11.320 -8.210 426 HA ARG 60 HA ARG 60 -8.582 -9.230 -6.384 427 HB2 ARG 60 1HB ARG 60 -9.791 -11.155 -5.969 428 HB3 ARG 60 2HB ARG 60 -8.421 -12.211 -6.284 429 HG2 ARG 60 1HG ARG 60 -7.474 -11.776 -4.164 430 HG3 ARG 60 2HG ARG 60 -8.575 -10.428 -3.873 431 HD2 ARG 60 1HD ARG 60 -10.432 -11.882 -3.629 432 HD3 ARG 60 2HD ARG 60 -9.522 -13.257 -4.251 433 HE ARG 60 HE ARG 60 -8.278 -12.246 -1.928 434 HH11 ARG 60 2HH1 ARG 60 -11.078 -14.040 -2.957 435 HH12 ARG 60 1HH1 ARG 60 -11.230 -14.911 -1.467 436 HH21 ARG 60 2HH2 ARG 60 -8.467 -13.385 0.039 437 HH22 ARG 60 1HH2 ARG 60 -9.744 -14.537 0.237 438 H LEU 61 H LEU 61 -7.428 -8.409 -4.699 439 HA LEU 61 HA LEU 61 -4.557 -8.806 -4.783 440 HB2 LEU 61 1HB LEU 61 -5.652 -6.555 -4.608 441 HB3 LEU 61 2HB LEU 61 -6.142 -6.994 -2.973 442 HG LEU 61 HG LEU 61 -3.721 -7.235 -2.396 443 HD11 LEU 61 1HD1 LEU 61 -3.327 -5.960 -5.099 444 HD12 LEU 61 2HD1 LEU 61 -2.857 -7.598 -4.645 445 HD13 LEU 61 3HD1 LEU 61 -2.076 -6.213 -3.882 446 HD21 LEU 61 1HD2 LEU 61 -4.952 -4.647 -3.245 447 HD22 LEU 61 2HD2 LEU 61 -3.304 -4.679 -2.618 448 HD23 LEU 61 3HD2 LEU 61 -4.639 -5.261 -1.622 449 H ASN 62 H ASN 62 -4.444 -10.952 -3.969 450 HA ASN 62 HA ASN 62 -5.370 -11.471 -1.272 451 HB2 ASN 62 1HB ASN 62 -4.379 -13.730 -1.649 452 HB3 ASN 62 2HB ASN 62 -5.565 -13.275 -2.869 453 HD21 ASN 62 1HD2 ASN 62 -2.850 -14.880 -2.565 454 HD22 ASN 62 2HD2 ASN 62 -2.072 -14.530 -4.067 455 H GLU 63 H GLU 63 -4.021 -12.019 0.482 456 HA GLU 63 HA GLU 63 -1.865 -10.380 0.966 457 HB2 GLU 63 1HB GLU 63 -2.740 -12.983 2.170 458 HB3 GLU 63 2HB GLU 63 -1.241 -12.232 2.699 459 HG2 GLU 63 1HG GLU 63 -2.668 -11.345 4.222 460 HG3 GLU 63 2HG GLU 63 -2.790 -10.119 2.962 461 H GLY 64 H GLY 64 0.312 -10.466 0.682 462 HA2 GLY 64 1HA GLY 64 2.338 -11.782 0.361 463 HA3 GLY 64 2HA GLY 64 1.398 -12.864 -0.656 464 H ASP 65 H ASP 65 0.028 -10.745 -2.077 465 HA ASP 65 HA ASP 65 1.677 -10.430 -4.269 466 HB2 ASP 65 1HB ASP 65 -0.723 -8.890 -3.314 467 HB3 ASP 65 2HB ASP 65 0.115 -8.431 -4.794 468 H GLN 66 H GLN 66 3.741 -9.759 -3.690 469 HA GLN 66 HA GLN 66 4.311 -7.472 -2.144 470 HB2 GLN 66 1HB GLN 66 5.916 -9.320 -2.614 471 HB3 GLN 66 2HB GLN 66 6.047 -8.739 -4.268 472 HG2 GLN 66 1HG GLN 66 6.732 -6.501 -3.191 473 HG3 GLN 66 2HG GLN 66 7.014 -7.467 -1.743 474 HE21 GLN 66 1HE2 GLN 66 8.072 -6.731 -4.951 475 HE22 GLN 66 2HE2 GLN 66 9.567 -7.594 -4.883 476 H VAL 67 H VAL 67 4.105 -5.393 -2.618 477 HA VAL 67 HA VAL 67 3.405 -4.561 -5.289 478 HB VAL 67 HB VAL 67 3.921 -2.774 -2.915 479 HG11 VAL 67 1HG1 VAL 67 3.371 -1.131 -4.299 480 HG12 VAL 67 2HG1 VAL 67 3.206 -2.292 -5.618 481 HG13 VAL 67 3HG1 VAL 67 1.814 -1.900 -4.607 482 HG21 VAL 67 1HG2 VAL 67 1.418 -2.900 -2.608 483 HG22 VAL 67 2HG2 VAL 67 1.443 -4.308 -3.670 484 HG23 VAL 67 3HG2 VAL 67 2.320 -4.341 -2.141 485 H VAL 68 H VAL 68 4.735 -3.781 -6.789 486 HA VAL 68 HA VAL 68 7.516 -3.224 -6.032 487 HB VAL 68 HB VAL 68 6.377 -3.686 -8.791 488 HG11 VAL 68 1HG1 VAL 68 9.197 -3.432 -7.763 489 HG12 VAL 68 2HG1 VAL 68 8.789 -4.059 -9.362 490 HG13 VAL 68 3HG1 VAL 68 8.378 -2.397 -8.933 491 HG21 VAL 68 1HG2 VAL 68 8.045 -5.801 -8.153 492 HG22 VAL 68 2HG2 VAL 68 7.115 -5.533 -6.679 493 HG23 VAL 68 3HG2 VAL 68 6.283 -5.836 -8.203 494 H LEU 69 H LEU 69 4.707 -1.829 -7.608 495 HA LEU 69 HA LEU 69 5.839 0.821 -7.272 496 HB2 LEU 69 1HB LEU 69 5.051 -0.277 -9.964 497 HB3 LEU 69 2HB LEU 69 5.271 1.440 -9.630 498 HG LEU 69 HG LEU 69 7.462 -0.592 -9.262 499 HD11 LEU 69 1HD1 LEU 69 6.574 -0.485 -11.622 500 HD12 LEU 69 2HD1 LEU 69 8.281 -0.095 -11.420 501 HD13 LEU 69 3HD1 LEU 69 7.104 1.197 -11.652 502 HD21 LEU 69 1HD2 LEU 69 7.319 2.407 -9.327 503 HD22 LEU 69 2HD2 LEU 69 8.829 1.535 -9.592 504 HD23 LEU 69 3HD2 LEU 69 7.966 1.361 -8.064 505 H ILE 70 H ILE 70 4.315 2.268 -6.735 506 HA ILE 70 HA ILE 70 1.512 1.402 -6.903 507 HB ILE 70 HB ILE 70 2.806 3.461 -5.113 508 HG12 ILE 70 1HG1 ILE 70 1.505 0.819 -4.423 509 HG13 ILE 70 2HG1 ILE 70 3.242 1.055 -4.579 510 HG21 ILE 70 1HG2 ILE 70 -0.051 2.522 -5.022 511 HG22 ILE 70 2HG2 ILE 70 0.689 3.842 -4.119 512 HG23 ILE 70 3HG2 ILE 70 0.458 3.988 -5.860 513 HD11 ILE 70 1HD1 ILE 70 2.121 1.118 -2.242 514 HD12 ILE 70 2HD1 ILE 70 3.379 2.286 -2.644 515 HD13 ILE 70 3HD1 ILE 70 1.683 2.763 -2.700 516 H ASN 71 H ASN 71 0.619 2.157 -8.725 517 HA ASN 71 HA ASN 71 -0.183 3.607 -10.281 518 HB2 ASN 71 1HB ASN 71 0.274 5.363 -7.914 519 HB3 ASN 71 2HB ASN 71 -0.058 6.135 -9.461 520 HD21 ASN 71 1HD2 ASN 71 -1.655 6.072 -7.031 521 HD22 ASN 71 2HD2 ASN 71 -3.179 5.389 -7.475 522 H GLY 72 H GLY 72 2.482 2.773 -10.550 523 HA2 GLY 72 1HA GLY 72 4.304 3.226 -11.873 524 HA3 GLY 72 2HA GLY 72 3.425 4.628 -12.465 525 H ARG 73 H ARG 73 4.610 3.817 -9.212 526 HA ARG 73 HA ARG 73 6.440 6.103 -9.357 527 HB2 ARG 73 1HB ARG 73 4.311 6.835 -8.286 528 HB3 ARG 73 2HB ARG 73 4.558 5.615 -7.043 529 HG2 ARG 73 1HG ARG 73 5.414 7.428 -5.976 530 HG3 ARG 73 2HG ARG 73 6.874 6.849 -6.781 531 HD2 ARG 73 1HD ARG 73 6.536 8.439 -8.585 532 HD3 ARG 73 2HD ARG 73 5.029 8.983 -7.849 533 HE ARG 73 HE ARG 73 7.317 9.240 -6.128 534 HH11 ARG 73 2HH1 ARG 73 5.435 10.750 -8.637 535 HH12 ARG 73 1HH1 ARG 73 5.932 12.357 -8.223 536 HH21 ARG 73 2HH2 ARG 73 7.979 11.351 -5.574 537 HH22 ARG 73 1HH2 ARG 73 7.380 12.698 -6.481 538 H ASP 74 H ASP 74 8.402 5.586 -8.654 539 HA ASP 74 HA ASP 74 9.053 3.022 -7.710 540 HB2 ASP 74 1HB ASP 74 10.550 5.620 -7.878 541 HB3 ASP 74 2HB ASP 74 11.274 4.229 -7.076 542 H ILE 75 H ILE 75 7.773 2.571 -5.900 543 HA ILE 75 HA ILE 75 8.138 4.217 -3.517 544 HB ILE 75 HB ILE 75 6.360 2.974 -2.516 545 HG12 ILE 75 1HG1 ILE 75 5.285 1.152 -4.126 546 HG13 ILE 75 2HG1 ILE 75 6.941 1.041 -4.715 547 HG21 ILE 75 1HG2 ILE 75 4.994 4.288 -3.671 548 HG22 ILE 75 2HG2 ILE 75 6.082 4.271 -5.057 549 HG23 ILE 75 3HG2 ILE 75 4.857 3.015 -4.883 550 HD11 ILE 75 1HD1 ILE 75 5.808 -0.188 -2.455 551 HD12 ILE 75 2HD1 ILE 75 7.484 -0.241 -3.002 552 HD13 ILE 75 3HD1 ILE 75 6.966 1.004 -1.866 553 H ALA 76 H ALA 76 9.404 1.406 -4.941 554 HA ALA 76 HA ALA 76 9.975 -0.267 -2.819 555 HB1 ALA 76 1HB ALA 76 12.264 -0.276 -4.456 556 HB2 ALA 76 2HB ALA 76 10.889 -1.381 -4.506 557 HB3 ALA 76 3HB ALA 76 10.891 0.070 -5.508 558 H GLU 77 H GLU 77 11.286 2.847 -3.544 559 HA GLU 77 HA GLU 77 13.494 2.494 -1.662 560 HB2 GLU 77 1HB GLU 77 12.772 4.770 -3.513 561 HB3 GLU 77 2HB GLU 77 14.136 4.801 -2.404 562 HG2 GLU 77 1HG GLU 77 13.902 2.550 -4.335 563 HG3 GLU 77 2HG GLU 77 14.447 4.125 -4.911 564 H HIS 78 H HIS 78 10.401 4.057 -1.972 565 HA HIS 78 HA HIS 78 10.642 5.924 0.125 566 HB2 HIS 78 1HB HIS 78 8.215 4.550 -1.039 567 HB3 HIS 78 2HB HIS 78 8.129 5.858 0.137 568 HD1 HIS 78 1HD HIS 78 7.029 5.954 -2.844 569 HD2 HIS 78 2HD HIS 78 10.585 7.612 -1.477 570 HE1 HIS 78 1HE HIS 78 7.586 7.788 -4.472 571 HE2 HIS 78 2HE HIS 78 9.785 8.720 -3.673 572 H THR 79 H THR 79 10.137 5.823 2.286 573 HA THR 79 HA THR 79 10.500 3.310 3.571 574 HB THR 79 HB THR 79 10.270 4.497 5.658 575 HG1 THR 79 1HG THR 79 9.695 6.819 5.488 576 HG21 THR 79 1HG2 THR 79 11.917 6.312 5.336 577 HG22 THR 79 2HG2 THR 79 11.693 6.178 3.591 578 HG23 THR 79 3HG2 THR 79 12.376 4.830 4.499 579 H HIS 80 H HIS 80 9.044 2.231 4.993 580 HA HIS 80 HA HIS 80 6.569 1.624 3.996 581 HB2 HIS 80 1HB HIS 80 7.357 0.139 5.610 582 HB3 HIS 80 2HB HIS 80 7.729 1.425 6.754 583 HD1 HIS 80 1HD HIS 80 4.684 -0.269 5.244 584 HD2 HIS 80 2HD HIS 80 5.836 1.787 8.665 585 HE1 HIS 80 1HE HIS 80 2.713 -0.399 6.802 586 HE2 HIS 80 2HE HIS 80 3.402 0.925 8.831 587 H ASP 81 H ASP 81 7.309 4.010 6.521 588 HA ASP 81 HA ASP 81 4.756 4.810 7.186 589 HB2 ASP 81 1HB ASP 81 7.324 6.383 7.014 590 HB3 ASP 81 2HB ASP 81 5.831 7.078 7.640 591 H GLN 82 H GLN 82 6.841 6.468 4.808 592 HA GLN 82 HA GLN 82 4.914 8.182 3.790 593 HB2 GLN 82 1HB GLN 82 7.296 6.947 2.401 594 HB3 GLN 82 2HB GLN 82 6.353 8.281 1.750 595 HG2 GLN 82 1HG GLN 82 7.837 8.345 4.367 596 HG3 GLN 82 2HG GLN 82 8.444 8.993 2.844 597 HE21 GLN 82 1HE2 GLN 82 6.402 9.501 5.542 598 HE22 GLN 82 2HE2 GLN 82 5.844 11.078 5.110 599 H VAL 83 H VAL 83 6.056 5.205 2.185 600 HA VAL 83 HA VAL 83 4.377 4.954 0.119 601 HB VAL 83 HB VAL 83 5.221 2.807 2.053 602 HG11 VAL 83 1HG1 VAL 83 3.473 1.633 1.229 603 HG12 VAL 83 2HG1 VAL 83 3.329 2.647 -0.208 604 HG13 VAL 83 3HG1 VAL 83 4.567 1.393 -0.133 605 HG21 VAL 83 1HG2 VAL 83 6.389 2.256 -0.323 606 HG22 VAL 83 2HG2 VAL 83 6.284 4.014 -0.412 607 HG23 VAL 83 3HG2 VAL 83 7.128 3.248 0.934 608 H VAL 84 H VAL 84 3.507 3.591 3.303 609 HA VAL 84 HA VAL 84 0.948 2.825 2.870 610 HB VAL 84 HB VAL 84 2.145 4.153 5.288 611 HG11 VAL 84 1HG1 VAL 84 -0.062 4.743 5.644 612 HG12 VAL 84 2HG1 VAL 84 -0.686 3.309 4.826 613 HG13 VAL 84 3HG1 VAL 84 0.030 3.168 6.432 614 HG21 VAL 84 1HG2 VAL 84 3.002 2.074 5.372 615 HG22 VAL 84 2HG2 VAL 84 1.413 1.644 6.004 616 HG23 VAL 84 3HG2 VAL 84 1.775 1.411 4.293 617 H LEU 85 H LEU 85 1.972 6.135 3.667 618 HA LEU 85 HA LEU 85 -0.639 7.241 3.576 619 HB2 LEU 85 1HB LEU 85 2.135 8.309 3.633 620 HB3 LEU 85 2HB LEU 85 0.838 9.396 3.140 621 HG LEU 85 HG LEU 85 -0.276 9.061 5.281 622 HD11 LEU 85 1HD1 LEU 85 1.564 7.882 6.939 623 HD12 LEU 85 2HD1 LEU 85 1.646 6.882 5.489 624 HD13 LEU 85 3HD1 LEU 85 0.103 7.119 6.310 625 HD21 LEU 85 1HD2 LEU 85 2.561 9.980 5.200 626 HD22 LEU 85 2HD2 LEU 85 1.707 9.936 6.742 627 HD23 LEU 85 3HD2 LEU 85 1.080 10.914 5.414 628 H PHE 86 H PHE 86 2.027 7.161 1.229 629 HA PHE 86 HA PHE 86 1.084 8.687 -0.801 630 HB2 PHE 86 1HB PHE 86 3.188 7.153 -0.665 631 HB3 PHE 86 2HB PHE 86 2.159 5.963 -1.455 632 HD1 PHE 86 1HD PHE 86 2.731 9.630 -1.872 633 HD2 PHE 86 2HD PHE 86 2.611 5.783 -3.690 634 HE1 PHE 86 1HE PHE 86 3.238 10.648 -4.054 635 HE2 PHE 86 2HE PHE 86 3.119 6.795 -5.874 636 HZ PHE 86 HZ PHE 86 3.435 9.230 -6.058 637 H ILE 87 H ILE 87 0.119 5.343 -0.121 638 HA ILE 87 HA ILE 87 -1.599 5.007 -2.312 639 HB ILE 87 HB ILE 87 -1.790 3.737 0.422 640 HG12 ILE 87 1HG1 ILE 87 -0.608 2.510 -2.059 641 HG13 ILE 87 2HG1 ILE 87 0.369 3.491 -0.972 642 HG21 ILE 87 1HG2 ILE 87 -2.844 2.568 -2.127 643 HG22 ILE 87 2HG2 ILE 87 -3.248 2.153 -0.462 644 HG23 ILE 87 3HG2 ILE 87 -3.822 3.669 -1.156 645 HD11 ILE 87 1HD1 ILE 87 0.153 1.961 0.780 646 HD12 ILE 87 2HD1 ILE 87 -1.202 1.136 0.007 647 HD13 ILE 87 3HD1 ILE 87 0.424 0.973 -0.656 648 H LYS 88 H LYS 88 -2.244 6.146 0.987 649 HA LYS 88 HA LYS 88 -5.031 6.459 0.672 650 HB2 LYS 88 1HB LYS 88 -2.984 7.427 2.609 651 HB3 LYS 88 2HB LYS 88 -4.546 8.236 2.595 652 HG2 LYS 88 1HG LYS 88 -4.949 6.629 4.153 653 HG3 LYS 88 2HG LYS 88 -5.448 5.764 2.697 654 HD2 LYS 88 1HD LYS 88 -4.094 4.206 3.736 655 HD3 LYS 88 2HD LYS 88 -2.961 4.991 2.634 656 HE2 LYS 88 1HE LYS 88 -1.748 5.003 4.583 657 HE3 LYS 88 2HE LYS 88 -2.545 6.573 4.680 658 HZ1 LYS 88 1HZ LYS 88 -3.108 4.113 6.191 659 HZ2 LYS 88 2HZ LYS 88 -4.343 5.241 5.948 660 HZ3 LYS 88 3HZ LYS 88 -2.928 5.698 6.755 661 H ALA 89 H ALA 89 -2.331 8.401 -0.284 662 HA ALA 89 HA ALA 89 -3.385 10.939 -0.446 663 HB1 ALA 89 1HB ALA 89 -1.681 11.454 -1.932 664 HB2 ALA 89 2HB ALA 89 -1.038 10.057 -1.068 665 HB3 ALA 89 3HB ALA 89 -1.717 9.859 -2.683 666 H SER 90 H SER 90 -3.858 8.223 -2.649 667 HA SER 90 HA SER 90 -4.971 9.274 -4.853 668 HB2 SER 90 1HB SER 90 -4.820 6.827 -4.290 669 HB3 SER 90 2HB SER 90 -6.294 7.012 -3.340 670 HG SER 90 HG SER 90 -7.074 7.991 -5.482 671 H CYS 91 H CYS 91 -6.804 8.706 -1.849 672 HA CYS 91 HA CYS 91 -9.274 9.585 -2.503 673 HB2 CYS 91 1HB CYS 91 -8.667 8.809 -0.255 674 HB3 CYS 91 2HB CYS 91 -7.780 10.301 0.029 675 HG CYS 91 HG CYS 91 -10.320 11.767 -0.475 676 H GLU 92 H GLU 92 -6.553 11.683 -1.593 677 HA GLU 92 HA GLU 92 -8.106 14.032 -2.378 678 HB2 GLU 92 1HB GLU 92 -5.535 13.647 -0.869 679 HB3 GLU 92 2HB GLU 92 -5.976 15.221 -1.517 680 HG2 GLU 92 1HG GLU 92 -8.214 14.807 -0.257 681 HG3 GLU 92 2HG GLU 92 -7.259 13.645 0.663 682 H ARG 93 H ARG 93 -7.436 12.346 -4.482 683 HA ARG 93 HA ARG 93 -5.602 14.072 -5.989 684 HB2 ARG 93 1HB ARG 93 -5.577 11.049 -6.009 685 HB3 ARG 93 2HB ARG 93 -4.669 12.068 -7.117 686 HG2 ARG 93 1HG ARG 93 -4.307 12.410 -4.177 687 HG3 ARG 93 2HG ARG 93 -3.520 11.067 -5.009 688 HD2 ARG 93 1HD ARG 93 -2.801 12.981 -6.678 689 HD3 ARG 93 2HD ARG 93 -3.063 13.997 -5.261 690 HE ARG 93 HE ARG 93 -1.149 13.143 -4.348 691 HH11 ARG 93 2HH1 ARG 93 -2.193 11.063 -6.937 692 HH12 ARG 93 1HH1 ARG 93 -0.770 10.075 -6.892 693 HH21 ARG 93 2HH2 ARG 93 0.729 11.850 -4.279 694 HH22 ARG 93 1HH2 ARG 93 0.890 10.523 -5.379 695 H HIS 94 H HIS 94 -5.768 13.514 -8.416 696 HA HIS 94 HA HIS 94 -8.255 14.140 -9.369 697 HB2 HIS 94 1HB HIS 94 -5.927 12.725 -10.629 698 HB3 HIS 94 2HB HIS 94 -7.418 12.959 -11.537 699 HD1 HIS 94 1HD HIS 94 -8.218 15.734 -11.129 700 HD2 HIS 94 2HD HIS 94 -4.204 14.676 -11.310 701 HE1 HIS 94 1HE HIS 94 -6.994 17.843 -11.742 702 HE2 HIS 94 2HE HIS 94 -4.577 17.160 -11.930 703 H SER 95 H SER 95 -10.010 13.047 -8.645 704 HA SER 95 HA SER 95 -10.274 10.357 -8.118 705 HB2 SER 95 1HB SER 95 -12.436 12.141 -9.263 706 HB3 SER 95 2HB SER 95 -12.678 10.669 -8.322 707 HG SER 95 HG SER 95 -12.094 11.695 -6.525 708 H GLY 96 H GLY 96 -9.478 8.877 -9.518 709 HA2 GLY 96 1HA GLY 96 -10.881 8.625 -12.082 710 HA3 GLY 96 2HA GLY 96 -9.124 8.674 -12.100 711 H GLU 97 H GLU 97 -8.010 7.014 -10.759 712 HA GLU 97 HA GLU 97 -9.358 4.701 -9.862 713 HB2 GLU 97 1HB GLU 97 -9.640 4.549 -12.394 714 HB3 GLU 97 2HB GLU 97 -7.904 4.278 -12.468 715 HG2 GLU 97 1HG GLU 97 -8.086 2.258 -11.228 716 HG3 GLU 97 2HG GLU 97 -9.779 2.574 -10.851 717 H LEU 98 H LEU 98 -7.791 2.875 -9.446 718 HA LEU 98 HA LEU 98 -5.110 3.972 -8.900 719 HB2 LEU 98 1HB LEU 98 -6.830 3.350 -6.992 720 HB3 LEU 98 2HB LEU 98 -6.216 1.726 -7.292 721 HG LEU 98 HG LEU 98 -4.249 3.907 -6.805 722 HD11 LEU 98 1HD1 LEU 98 -5.670 2.512 -4.550 723 HD12 LEU 98 2HD1 LEU 98 -6.074 4.141 -5.090 724 HD13 LEU 98 3HD1 LEU 98 -4.468 3.799 -4.449 725 HD21 LEU 98 1HD2 LEU 98 -4.090 1.200 -7.212 726 HD22 LEU 98 2HD2 LEU 98 -3.995 1.331 -5.455 727 HD23 LEU 98 3HD2 LEU 98 -2.843 2.202 -6.469 728 H MET 99 H MET 99 -3.380 2.845 -9.582 729 HA MET 99 HA MET 99 -3.813 0.111 -10.581 730 HB2 MET 99 1HB MET 99 -3.589 2.080 -12.321 731 HB3 MET 99 2HB MET 99 -1.875 1.916 -11.966 732 HG2 MET 99 1HG MET 99 -1.950 -0.427 -12.623 733 HG3 MET 99 2HG MET 99 -3.675 -0.283 -12.954 734 HE1 MET 99 1HE MET 99 -4.460 -0.310 -14.910 735 HE2 MET 99 2HE MET 99 -4.523 1.372 -15.435 736 HE3 MET 99 3HE MET 99 -3.755 0.157 -16.458 737 H LEU 100 H LEU 100 -2.534 -1.288 -9.584 738 HA LEU 100 HA LEU 100 0.052 -0.334 -8.540 739 HB2 LEU 100 1HB LEU 100 -1.571 -2.618 -7.444 740 HB3 LEU 100 2HB LEU 100 -0.137 -1.881 -6.732 741 HG LEU 100 HG LEU 100 -2.586 -0.218 -7.121 742 HD11 LEU 100 1HD1 LEU 100 -3.067 -2.515 -5.979 743 HD12 LEU 100 2HD1 LEU 100 -3.691 -1.025 -5.274 744 HD13 LEU 100 3HD1 LEU 100 -2.245 -1.780 -4.603 745 HD21 LEU 100 1HD2 LEU 100 -0.286 -0.286 -5.180 746 HD22 LEU 100 2HD2 LEU 100 -1.702 0.743 -4.964 747 HD23 LEU 100 3HD2 LEU 100 -0.665 0.954 -6.376 748 H LEU 101 H LEU 101 1.773 -1.936 -8.451 749 HA LEU 101 HA LEU 101 1.503 -3.981 -10.556 750 HB2 LEU 101 1HB LEU 101 3.036 -1.860 -10.845 751 HB3 LEU 101 2HB LEU 101 4.149 -2.804 -9.857 752 HG LEU 101 HG LEU 101 4.282 -4.518 -11.515 753 HD11 LEU 101 1HD1 LEU 101 2.226 -4.860 -12.448 754 HD12 LEU 101 2HD1 LEU 101 3.005 -3.960 -13.749 755 HD13 LEU 101 3HD1 LEU 101 1.903 -3.137 -12.646 756 HD21 LEU 101 1HD2 LEU 101 5.619 -3.397 -12.947 757 HD22 LEU 101 2HD2 LEU 101 5.317 -2.058 -11.839 758 HD23 LEU 101 3HD2 LEU 101 4.386 -2.196 -13.332 759 H VAL 102 H VAL 102 1.307 -5.871 -9.524 760 HA VAL 102 HA VAL 102 3.200 -6.454 -7.339 761 HB VAL 102 HB VAL 102 1.600 -7.985 -6.392 762 HG11 VAL 102 1HG1 VAL 102 0.165 -6.443 -5.457 763 HG12 VAL 102 2HG1 VAL 102 1.429 -5.395 -6.105 764 HG13 VAL 102 3HG1 VAL 102 -0.089 -5.595 -6.982 765 HG21 VAL 102 1HG2 VAL 102 -0.753 -8.005 -7.415 766 HG22 VAL 102 2HG2 VAL 102 0.022 -7.390 -8.875 767 HG23 VAL 102 3HG2 VAL 102 0.501 -8.953 -8.215 768 H ARG 103 H ARG 103 3.847 -8.727 -7.145 769 HA ARG 103 HA ARG 103 4.162 -9.940 -9.803 770 HB2 ARG 103 1HB ARG 103 6.266 -9.389 -8.757 771 HB3 ARG 103 2HB ARG 103 5.800 -10.223 -7.281 772 HG2 ARG 103 1HG ARG 103 5.752 -12.348 -8.555 773 HG3 ARG 103 2HG ARG 103 6.360 -11.471 -9.962 774 HD2 ARG 103 1HD ARG 103 7.773 -11.509 -7.305 775 HD3 ARG 103 2HD ARG 103 8.089 -12.686 -8.579 776 HE ARG 103 HE ARG 103 8.327 -10.123 -9.671 777 HH11 ARG 103 2HH1 ARG 103 9.928 -12.179 -7.363 778 HH12 ARG 103 1HH1 ARG 103 11.489 -11.475 -7.623 779 HH21 ARG 103 2HH2 ARG 103 10.377 -9.188 -10.022 780 HH22 ARG 103 1HH2 ARG 103 11.744 -9.773 -9.135 781 HA PRO 104 HA PRO 104 1.414 -13.164 -8.492 782 HB2 PRO 104 1HB PRO 104 1.832 -14.816 -10.606 783 HB3 PRO 104 2HB PRO 104 0.843 -13.355 -10.710 784 HG2 PRO 104 1HG PRO 104 3.688 -13.781 -11.541 785 HG3 PRO 104 2HG PRO 104 2.392 -12.918 -12.389 786 HD2 PRO 104 1HD PRO 104 4.305 -11.637 -10.964 787 HD3 PRO 104 2HD PRO 104 2.648 -11.018 -11.109 788 H ASN 105 H ASN 105 1.547 -15.172 -7.527 789 HA ASN 105 HA ASN 105 4.256 -16.114 -6.968 790 HB2 ASN 105 1HB ASN 105 2.531 -15.624 -5.142 791 HB3 ASN 105 2HB ASN 105 1.719 -17.096 -5.668 792 HD21 ASN 105 1HD2 ASN 105 2.134 -18.676 -4.318 793 HD22 ASN 105 2HD2 ASN 105 3.665 -19.030 -3.598 794 H ALA 106 H ALA 106 4.461 -17.043 -9.129 795 HA ALA 106 HA ALA 106 2.812 -19.091 -10.110 796 HB1 ALA 106 1HB ALA 106 4.247 -18.107 -11.668 797 HB2 ALA 106 2HB ALA 106 5.665 -18.334 -10.643 798 HB3 ALA 106 3HB ALA 106 4.913 -19.723 -11.429 799 H VAL 107 H VAL 107 3.061 -21.349 -10.119 800 HA VAL 107 HA VAL 107 4.661 -22.402 -7.877 801 HB VAL 107 HB VAL 107 2.231 -23.790 -8.968 802 HG11 VAL 107 1HG1 VAL 107 3.990 -24.845 -7.403 803 HG12 VAL 107 2HG1 VAL 107 3.257 -23.837 -6.153 804 HG13 VAL 107 3HG1 VAL 107 2.283 -25.036 -7.006 805 HG21 VAL 107 1HG2 VAL 107 1.191 -22.691 -6.795 806 HG22 VAL 107 2HG2 VAL 107 2.353 -21.420 -7.178 807 HG23 VAL 107 3HG2 VAL 107 1.130 -21.883 -8.362 808 H TYR 108 H TYR 108 5.894 -24.214 -8.190 809 HA TYR 108 HA TYR 108 6.775 -24.759 -10.826 810 HB2 TYR 108 1HB TYR 108 8.071 -26.616 -9.711 811 HB3 TYR 108 2HB TYR 108 8.344 -25.010 -9.045 812 HD1 TYR 108 2HD TYR 108 6.432 -28.150 -8.489 813 HD2 TYR 108 1HD TYR 108 8.021 -24.601 -6.762 814 HE1 TYR 108 2HE TYR 108 5.854 -28.987 -6.250 815 HE2 TYR 108 1HE TYR 108 7.448 -25.429 -4.518 816 HH TYR 108 HH TYR 108 6.667 -27.141 -3.331 817 H ASP 109 H ASP 109 4.102 -25.848 -9.106 818 HA ASP 109 HA ASP 109 3.898 -28.523 -9.964 819 HB2 ASP 109 1HB ASP 109 2.517 -27.222 -8.185 820 HB3 ASP 109 2HB ASP 109 1.492 -26.775 -9.545 821 H VAL 110 H VAL 110 3.263 -29.428 -11.829 822 HA VAL 110 HA VAL 110 2.217 -27.649 -13.935 823 HB VAL 110 HB VAL 110 4.564 -28.383 -14.348 824 HG11 VAL 110 1HG1 VAL 110 3.554 -31.123 -14.949 825 HG12 VAL 110 2HG1 VAL 110 5.192 -30.582 -14.579 826 HG13 VAL 110 3HG1 VAL 110 3.993 -30.711 -13.292 827 HG21 VAL 110 1HG2 VAL 110 4.142 -28.272 -16.537 828 HG22 VAL 110 2HG2 VAL 110 3.212 -29.771 -16.517 829 HG23 VAL 110 3HG2 VAL 110 2.434 -28.245 -16.096 830 H VAL 111 H VAL 111 0.332 -28.222 -14.801 831 HA VAL 111 HA VAL 111 -0.515 -31.028 -14.673 832 HB VAL 111 HB VAL 111 -1.560 -29.874 -12.766 833 HG11 VAL 111 1HG1 VAL 111 -1.914 -27.676 -13.164 834 HG12 VAL 111 2HG1 VAL 111 -2.257 -27.928 -14.876 835 HG13 VAL 111 3HG1 VAL 111 -3.500 -28.256 -13.669 836 HG21 VAL 111 1HG2 VAL 111 -3.784 -30.641 -13.143 837 HG22 VAL 111 2HG2 VAL 111 -3.613 -30.468 -14.890 838 HG23 VAL 111 3HG2 VAL 111 -2.704 -31.713 -14.034 839 H GLU 112 H GLU 112 -2.336 -31.510 -16.124 840 HA GLU 112 HA GLU 112 -2.641 -29.599 -18.328 841 HB2 GLU 112 1HB GLU 112 -0.866 -31.433 -18.746 842 HB3 GLU 112 2HB GLU 112 -2.237 -32.524 -18.883 843 HG2 GLU 112 1HG GLU 112 -2.980 -31.573 -20.833 844 HG3 GLU 112 2HG GLU 112 -2.212 -30.023 -20.496 845 H GLU 113 H GLU 113 -4.672 -29.429 -19.069 846 HA GLU 113 HA GLU 113 -6.699 -31.149 -17.864 847 HB2 GLU 113 1HB GLU 113 -8.296 -29.480 -18.501 848 HB3 GLU 113 2HB GLU 113 -6.916 -28.659 -17.788 849 HG2 GLU 113 1HG GLU 113 -6.995 -29.006 -20.738 850 HG3 GLU 113 2HG GLU 113 -8.034 -27.791 -19.996 851 H SER 114 H SER 114 -4.879 -31.193 -20.586 852 HA SER 114 HA SER 114 -7.029 -32.282 -22.271 853 HB2 SER 114 1HB SER 114 -4.304 -31.172 -22.946 854 HB3 SER 114 2HB SER 114 -5.272 -32.076 -24.110 855 HG SER 114 HG SER 114 -5.583 -29.509 -23.170 856 H GLY 115 H GLY 115 -6.348 -34.140 -23.695 857 HA2 GLY 115 1HA GLY 115 -4.733 -36.025 -22.094 858 HA3 GLY 115 2HA GLY 115 -6.108 -36.495 -23.082 859 HA PRO 116 HA PRO 116 -2.201 -37.264 -25.481 860 HB2 PRO 116 1HB PRO 116 -2.850 -39.801 -26.198 861 HB3 PRO 116 2HB PRO 116 -2.021 -39.412 -24.686 862 HG2 PRO 116 1HG PRO 116 -4.922 -39.972 -25.165 863 HG3 PRO 116 2HG PRO 116 -3.875 -40.542 -23.853 864 HD2 PRO 116 1HD PRO 116 -5.603 -38.480 -23.547 865 HD3 PRO 116 2HD PRO 116 -4.055 -38.565 -22.682 866 H SER 117 H SER 117 -5.547 -37.161 -26.041 867 HA SER 117 HA SER 117 -5.872 -37.968 -28.657 868 HB2 SER 117 1HB SER 117 -7.720 -37.211 -27.202 869 HB3 SER 117 2HB SER 117 -7.145 -35.550 -27.351 870 HG SER 117 HG SER 117 -8.087 -35.424 -29.221 871 H SER 118 H SER 118 -5.939 -36.788 -30.656 872 HA SER 118 HA SER 118 -3.622 -35.139 -31.017 873 HB2 SER 118 1HB SER 118 -4.271 -35.139 -33.397 874 HB3 SER 118 2HB SER 118 -4.278 -36.769 -32.726 875 HG SER 118 HG SER 118 -6.187 -35.830 -34.045 876 H GLY 119 H GLY 119 -7.130 -34.634 -31.307 877 HA2 GLY 119 1HA GLY 119 -8.370 -32.701 -31.470 878 HA3 GLY 119 2HA GLY 119 -7.254 -32.110 -30.248 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.156 20.692 -4.586 2 HA2 GLY 1 1HA GLY 1 -11.861 19.070 -4.020 3 HA3 GLY 1 2HA GLY 1 -12.841 18.400 -5.317 4 H SER 2 H SER 2 -12.122 18.913 -7.261 5 HA SER 2 HA SER 2 -11.636 21.583 -8.076 6 HB2 SER 2 1HB SER 2 -9.199 21.286 -8.627 7 HB3 SER 2 2HB SER 2 -9.545 21.389 -6.901 8 HG SER 2 HG SER 2 -8.583 19.274 -8.395 9 H SER 3 H SER 3 -10.452 21.526 -10.331 10 HA SER 3 HA SER 3 -11.645 19.290 -11.831 11 HB2 SER 3 1HB SER 3 -11.317 22.203 -12.447 12 HB3 SER 3 2HB SER 3 -11.376 21.044 -13.775 13 HG SER 3 HG SER 3 -13.453 21.125 -13.527 14 H GLY 4 H GLY 4 -10.470 18.256 -13.432 15 HA2 GLY 4 1HA GLY 4 -7.876 19.105 -14.258 16 HA3 GLY 4 2HA GLY 4 -7.768 17.840 -13.042 17 H SER 5 H SER 5 -6.801 17.569 -15.665 18 HA SER 5 HA SER 5 -8.322 15.236 -16.488 19 HB2 SER 5 1HB SER 5 -9.301 17.132 -17.780 20 HB3 SER 5 2HB SER 5 -7.708 17.442 -18.468 21 HG SER 5 HG SER 5 -8.614 16.133 -19.928 22 H SER 6 H SER 6 -6.997 13.635 -17.060 23 HA SER 6 HA SER 6 -4.209 14.321 -17.728 24 HB2 SER 6 1HB SER 6 -5.324 12.015 -16.130 25 HB3 SER 6 2HB SER 6 -3.683 12.013 -16.777 26 HG SER 6 HG SER 6 -4.640 13.239 -14.579 27 H GLY 7 H GLY 7 -3.956 14.079 -19.856 28 HA2 GLY 7 1HA GLY 7 -5.487 12.120 -21.339 29 HA3 GLY 7 2HA GLY 7 -4.333 13.267 -22.004 30 H ASN 8 H ASN 8 -4.428 10.361 -19.944 31 HA ASN 8 HA ASN 8 -1.938 9.487 -21.257 32 HB2 ASN 8 1HB ASN 8 -1.288 8.370 -19.235 33 HB3 ASN 8 2HB ASN 8 -1.736 10.019 -18.807 34 HD21 ASN 8 1HD2 ASN 8 -2.552 6.669 -18.559 35 HD22 ASN 8 2HD2 ASN 8 -3.793 6.844 -17.370 36 H GLY 9 H GLY 9 -1.672 7.133 -21.442 37 HA2 GLY 9 1HA GLY 9 -4.268 5.865 -22.019 38 HA3 GLY 9 2HA GLY 9 -2.747 5.457 -22.798 39 H GLY 10 H GLY 10 -1.703 3.710 -22.089 40 HA2 GLY 10 1HA GLY 10 -1.350 2.919 -19.454 41 HA3 GLY 10 2HA GLY 10 -2.804 2.108 -20.018 42 H ILE 11 H ILE 11 0.423 1.734 -19.621 43 HA ILE 11 HA ILE 11 1.545 0.643 -21.833 44 HB ILE 11 HB ILE 11 2.900 -0.751 -20.445 45 HG12 ILE 11 1HG1 ILE 11 1.267 -1.924 -19.147 46 HG13 ILE 11 2HG1 ILE 11 2.309 -1.071 -18.014 47 HG21 ILE 11 1HG2 ILE 11 2.338 1.455 -18.534 48 HG22 ILE 11 2HG2 ILE 11 3.876 0.877 -19.174 49 HG23 ILE 11 3HG2 ILE 11 2.823 1.873 -20.177 50 HD11 ILE 11 1HD1 ILE 11 0.545 0.749 -18.001 51 HD12 ILE 11 2HD1 ILE 11 -0.500 -0.412 -18.820 52 HD13 ILE 11 3HD1 ILE 11 0.132 -0.774 -17.214 53 HA PRO 12 HA PRO 12 -0.792 -2.842 -23.135 54 HB2 PRO 12 1HB PRO 12 1.168 -4.369 -24.228 55 HB3 PRO 12 2HB PRO 12 0.564 -2.893 -24.989 56 HG2 PRO 12 1HG PRO 12 3.027 -3.302 -23.337 57 HG3 PRO 12 2HG PRO 12 2.826 -2.374 -24.835 58 HD2 PRO 12 1HD PRO 12 2.891 -1.204 -22.393 59 HD3 PRO 12 2HD PRO 12 1.926 -0.558 -23.737 60 H HIS 13 H HIS 13 -0.757 -5.308 -23.041 61 HA HIS 13 HA HIS 13 -0.892 -6.231 -20.480 62 HB2 HIS 13 1HB HIS 13 -0.745 -8.510 -21.400 63 HB3 HIS 13 2HB HIS 13 -1.778 -7.479 -22.385 64 HD1 HIS 13 1HD HIS 13 1.292 -9.522 -22.504 65 HD2 HIS 13 2HD HIS 13 -0.641 -6.735 -24.904 66 HE1 HIS 13 1HE HIS 13 2.356 -9.735 -24.773 67 HE2 HIS 13 2HE HIS 13 1.229 -7.980 -26.185 68 H ASP 14 H ASP 14 0.557 -6.423 -18.918 69 HA ASP 14 HA ASP 14 3.371 -6.886 -19.648 70 HB2 ASP 14 1HB ASP 14 2.753 -4.773 -18.384 71 HB3 ASP 14 2HB ASP 14 2.357 -5.810 -17.016 72 H ASN 15 H ASN 15 4.541 -8.509 -18.679 73 HA ASN 15 HA ASN 15 3.300 -10.876 -18.019 74 HB2 ASN 15 1HB ASN 15 6.006 -9.979 -17.006 75 HB3 ASN 15 2HB ASN 15 5.451 -11.640 -17.188 76 HD21 ASN 15 1HD2 ASN 15 6.451 -12.561 -18.816 77 HD22 ASN 15 2HD2 ASN 15 6.779 -11.841 -20.352 78 H LEU 16 H LEU 16 4.649 -8.466 -15.772 79 HA LEU 16 HA LEU 16 3.990 -9.768 -13.395 80 HB2 LEU 16 1HB LEU 16 4.533 -6.951 -14.172 81 HB3 LEU 16 2HB LEU 16 3.834 -7.252 -12.583 82 HG LEU 16 HG LEU 16 5.801 -8.852 -12.224 83 HD11 LEU 16 1HD1 LEU 16 7.800 -8.371 -13.531 84 HD12 LEU 16 2HD1 LEU 16 6.880 -7.264 -14.549 85 HD13 LEU 16 3HD1 LEU 16 6.506 -8.987 -14.559 86 HD21 LEU 16 1HD2 LEU 16 7.025 -7.166 -11.224 87 HD22 LEU 16 2HD2 LEU 16 5.426 -6.433 -11.360 88 HD23 LEU 16 3HD2 LEU 16 6.691 -6.013 -12.516 89 H VAL 17 H VAL 17 2.298 -9.323 -11.862 90 HA VAL 17 HA VAL 17 -0.287 -9.137 -13.138 91 HB VAL 17 HB VAL 17 0.347 -9.455 -10.202 92 HG11 VAL 17 1HG1 VAL 17 -2.010 -8.728 -11.175 93 HG12 VAL 17 2HG1 VAL 17 -2.149 -10.465 -11.454 94 HG13 VAL 17 3HG1 VAL 17 -1.865 -9.852 -9.824 95 HG21 VAL 17 1HG2 VAL 17 -0.087 -11.512 -12.360 96 HG22 VAL 17 2HG2 VAL 17 1.353 -11.283 -11.369 97 HG23 VAL 17 3HG2 VAL 17 -0.138 -11.872 -10.634 98 H LEU 18 H LEU 18 -1.662 -7.456 -13.100 99 HA LEU 18 HA LEU 18 -0.823 -5.055 -11.618 100 HB2 LEU 18 1HB LEU 18 -0.780 -4.619 -13.946 101 HB3 LEU 18 2HB LEU 18 -2.346 -5.390 -14.188 102 HG LEU 18 HG LEU 18 -3.182 -3.443 -12.628 103 HD11 LEU 18 1HD1 LEU 18 -0.791 -2.152 -13.921 104 HD12 LEU 18 2HD1 LEU 18 -0.838 -2.649 -12.230 105 HD13 LEU 18 3HD1 LEU 18 -1.954 -1.417 -12.817 106 HD21 LEU 18 1HD2 LEU 18 -2.645 -3.538 -15.545 107 HD22 LEU 18 2HD2 LEU 18 -3.175 -2.003 -14.856 108 HD23 LEU 18 3HD2 LEU 18 -4.177 -3.444 -14.675 109 H ILE 19 H ILE 19 -2.267 -3.973 -10.338 110 HA ILE 19 HA ILE 19 -4.847 -5.322 -9.889 111 HB ILE 19 HB ILE 19 -3.248 -3.654 -7.943 112 HG12 ILE 19 1HG1 ILE 19 -2.256 -5.880 -8.457 113 HG13 ILE 19 2HG1 ILE 19 -2.787 -5.731 -6.785 114 HG21 ILE 19 1HG2 ILE 19 -5.435 -5.367 -6.984 115 HG22 ILE 19 2HG2 ILE 19 -4.962 -3.742 -6.490 116 HG23 ILE 19 3HG2 ILE 19 -5.933 -3.974 -7.944 117 HD11 ILE 19 1HD1 ILE 19 -3.468 -7.709 -8.667 118 HD12 ILE 19 2HD1 ILE 19 -4.043 -7.531 -7.009 119 HD13 ILE 19 3HD1 ILE 19 -4.929 -6.780 -8.335 120 H ARG 20 H ARG 20 -6.701 -4.186 -10.014 121 HA ARG 20 HA ARG 20 -6.545 -1.261 -10.223 122 HB2 ARG 20 1HB ARG 20 -7.808 -3.168 -12.174 123 HB3 ARG 20 2HB ARG 20 -8.378 -1.511 -12.029 124 HG2 ARG 20 1HG ARG 20 -6.151 -0.687 -12.585 125 HG3 ARG 20 2HG ARG 20 -5.568 -2.348 -12.714 126 HD2 ARG 20 1HD ARG 20 -7.897 -1.403 -14.344 127 HD3 ARG 20 2HD ARG 20 -6.242 -1.087 -14.866 128 HE ARG 20 HE ARG 20 -6.176 -3.723 -14.422 129 HH11 ARG 20 2HH1 ARG 20 -8.451 -1.731 -16.147 130 HH12 ARG 20 1HH1 ARG 20 -8.888 -2.976 -17.270 131 HH21 ARG 20 2HH2 ARG 20 -6.744 -5.370 -15.894 132 HH22 ARG 20 1HH2 ARG 20 -7.918 -5.046 -17.124 133 H MET 21 H MET 21 -7.933 -0.295 -8.900 134 HA MET 21 HA MET 21 -10.534 -1.476 -8.370 135 HB2 MET 21 1HB MET 21 -10.270 -1.328 -5.928 136 HB3 MET 21 2HB MET 21 -9.151 -2.484 -6.638 137 HG2 MET 21 1HG MET 21 -7.371 -0.790 -6.529 138 HG3 MET 21 2HG MET 21 -8.500 0.315 -5.748 139 HE1 MET 21 1HE MET 21 -6.565 -3.024 -5.531 140 HE2 MET 21 2HE MET 21 -5.555 -1.692 -4.969 141 HE3 MET 21 3HE MET 21 -6.047 -2.961 -3.846 142 H LYS 22 H LYS 22 -11.845 0.026 -6.914 143 HA LYS 22 HA LYS 22 -11.097 2.831 -7.408 144 HB2 LYS 22 1HB LYS 22 -13.391 3.364 -7.952 145 HB3 LYS 22 2HB LYS 22 -12.838 2.065 -9.001 146 HG2 LYS 22 1HG LYS 22 -14.211 0.511 -8.037 147 HG3 LYS 22 2HG LYS 22 -14.264 1.357 -6.488 148 HD2 LYS 22 1HD LYS 22 -15.726 3.040 -7.403 149 HD3 LYS 22 2HD LYS 22 -15.575 2.347 -9.019 150 HE2 LYS 22 1HE LYS 22 -16.454 0.184 -7.768 151 HE3 LYS 22 2HE LYS 22 -17.123 1.389 -6.669 152 HZ1 LYS 22 1HZ LYS 22 -18.479 2.250 -8.299 153 HZ2 LYS 22 2HZ LYS 22 -18.512 0.601 -8.673 154 HZ3 LYS 22 3HZ LYS 22 -17.538 1.653 -9.572 155 HA PRO 23 HA PRO 23 -11.890 3.545 -3.146 156 HB2 PRO 23 1HB PRO 23 -12.658 6.148 -3.215 157 HB3 PRO 23 2HB PRO 23 -10.985 5.633 -3.462 158 HG2 PRO 23 1HG PRO 23 -13.059 6.370 -5.491 159 HG3 PRO 23 2HG PRO 23 -11.342 6.810 -5.436 160 HD2 PRO 23 1HD PRO 23 -12.288 4.827 -7.019 161 HD3 PRO 23 2HD PRO 23 -10.666 4.782 -6.299 162 H ASP 24 H ASP 24 -13.542 3.188 -1.788 163 HA ASP 24 HA ASP 24 -16.186 2.860 -2.777 164 HB2 ASP 24 1HB ASP 24 -15.327 2.985 0.118 165 HB3 ASP 24 2HB ASP 24 -16.769 2.211 -0.534 166 H GLU 25 H GLU 25 -18.043 3.828 -1.315 167 HA GLU 25 HA GLU 25 -18.433 6.445 -1.999 168 HB2 GLU 25 1HB GLU 25 -20.152 4.866 -1.078 169 HB3 GLU 25 2HB GLU 25 -19.511 5.187 0.527 170 HG2 GLU 25 1HG GLU 25 -20.013 7.614 0.131 171 HG3 GLU 25 2HG GLU 25 -20.868 7.120 -1.330 172 H ASN 26 H ASN 26 -17.111 5.239 1.069 173 HA ASN 26 HA ASN 26 -16.755 7.796 2.236 174 HB2 ASN 26 1HB ASN 26 -15.399 5.159 2.840 175 HB3 ASN 26 2HB ASN 26 -15.288 6.599 3.849 176 HD21 ASN 26 1HD2 ASN 26 -17.713 7.562 4.060 177 HD22 ASN 26 2HD2 ASN 26 -18.818 6.408 4.719 178 H GLY 27 H GLY 27 -14.869 5.889 0.027 179 HA2 GLY 27 1HA GLY 27 -13.169 6.746 -1.350 180 HA3 GLY 27 2HA GLY 27 -13.005 8.114 -0.260 181 H ARG 28 H ARG 28 -12.931 4.663 0.529 182 HA ARG 28 HA ARG 28 -10.077 4.909 1.172 183 HB2 ARG 28 1HB ARG 28 -10.347 3.888 3.314 184 HB3 ARG 28 2HB ARG 28 -11.487 5.225 3.227 185 HG2 ARG 28 1HG ARG 28 -13.225 3.507 2.548 186 HG3 ARG 28 2HG ARG 28 -12.052 2.284 3.041 187 HD2 ARG 28 1HD ARG 28 -13.576 2.736 4.862 188 HD3 ARG 28 2HD ARG 28 -11.963 3.312 5.279 189 HE ARG 28 HE ARG 28 -13.696 5.311 4.127 190 HH11 ARG 28 2HH1 ARG 28 -12.592 3.772 7.048 191 HH12 ARG 28 1HH1 ARG 28 -13.022 5.105 8.068 192 HH21 ARG 28 2HH2 ARG 28 -14.267 7.073 5.459 193 HH22 ARG 28 1HH2 ARG 28 -13.975 6.982 7.163 194 H PHE 29 H PHE 29 -8.887 2.991 1.049 195 HA PHE 29 HA PHE 29 -10.080 0.974 -0.665 196 HB2 PHE 29 1HB PHE 29 -7.246 1.419 0.286 197 HB3 PHE 29 2HB PHE 29 -7.727 0.081 -0.752 198 HD1 PHE 29 1HD PHE 29 -8.986 0.754 -2.938 199 HD2 PHE 29 2HD PHE 29 -6.521 3.381 -0.671 200 HE1 PHE 29 1HE PHE 29 -8.695 2.185 -4.919 201 HE2 PHE 29 2HE PHE 29 -6.227 4.816 -2.647 202 HZ PHE 29 HZ PHE 29 -7.315 4.220 -4.775 203 H GLY 30 H GLY 30 -8.890 -1.333 -0.103 204 HA2 GLY 30 1HA GLY 30 -9.406 -1.892 2.742 205 HA3 GLY 30 2HA GLY 30 -10.220 -2.840 1.506 206 H PHE 31 H PHE 31 -6.892 -1.739 2.179 207 HA PHE 31 HA PHE 31 -5.935 -4.428 2.407 208 HB2 PHE 31 1HB PHE 31 -4.492 -4.466 0.469 209 HB3 PHE 31 2HB PHE 31 -6.145 -4.180 -0.065 210 HD1 PHE 31 2HD PHE 31 -6.835 -1.867 -0.710 211 HD2 PHE 31 1HD PHE 31 -2.777 -2.921 0.024 212 HE1 PHE 31 2HE PHE 31 -6.098 0.148 -1.913 213 HE2 PHE 31 1HE PHE 31 -2.033 -0.907 -1.178 214 HZ PHE 31 HZ PHE 31 -3.695 0.630 -2.149 215 H ASN 32 H ASN 32 -4.136 -4.477 3.622 216 HA ASN 32 HA ASN 32 -2.873 -1.902 4.254 217 HB2 ASN 32 1HB ASN 32 -3.112 -4.494 5.771 218 HB3 ASN 32 2HB ASN 32 -1.945 -3.259 6.235 219 HD21 ASN 32 1HD2 ASN 32 -3.014 -0.979 6.269 220 HD22 ASN 32 2HD2 ASN 32 -4.497 -0.895 7.153 221 H VAL 33 H VAL 33 -0.551 -1.845 4.577 222 HA VAL 33 HA VAL 33 0.913 -3.912 3.078 223 HB VAL 33 HB VAL 33 2.395 -2.057 2.207 224 HG11 VAL 33 1HG1 VAL 33 -0.283 -1.557 1.060 225 HG12 VAL 33 2HG1 VAL 33 1.225 -2.020 0.268 226 HG13 VAL 33 3HG1 VAL 33 0.258 -3.235 1.105 227 HG21 VAL 33 1HG2 VAL 33 0.138 -0.163 2.548 228 HG22 VAL 33 2HG2 VAL 33 1.180 -0.448 3.942 229 HG23 VAL 33 3HG2 VAL 33 1.870 0.147 2.432 230 H LYS 34 H LYS 34 2.893 -4.466 3.870 231 HA LYS 34 HA LYS 34 3.924 -2.950 6.168 232 HB2 LYS 34 1HB LYS 34 4.436 -5.040 7.335 233 HB3 LYS 34 2HB LYS 34 2.710 -4.891 7.034 234 HG2 LYS 34 1HG LYS 34 2.718 -6.554 5.419 235 HG3 LYS 34 2HG LYS 34 4.456 -6.416 5.144 236 HD2 LYS 34 1HD LYS 34 4.851 -7.330 7.406 237 HD3 LYS 34 2HD LYS 34 3.109 -7.537 7.602 238 HE2 LYS 34 1HE LYS 34 3.011 -9.184 5.926 239 HE3 LYS 34 2HE LYS 34 4.608 -8.766 5.307 240 HZ1 LYS 34 1HZ LYS 34 4.995 -9.461 7.941 241 HZ2 LYS 34 2HZ LYS 34 5.397 -10.381 6.580 242 HZ3 LYS 34 3HZ LYS 34 3.906 -10.612 7.346 243 H GLY 35 H GLY 35 6.206 -3.329 6.617 244 HA2 GLY 35 1HA GLY 35 8.368 -4.068 6.008 245 HA3 GLY 35 2HA GLY 35 7.733 -4.566 4.447 246 H GLY 36 H GLY 36 9.247 -3.509 3.203 247 HA2 GLY 36 1HA GLY 36 9.423 -1.554 1.802 248 HA3 GLY 36 2HA GLY 36 8.989 -0.574 3.195 249 H TYR 37 H TYR 37 11.119 0.227 1.796 250 HA TYR 37 HA TYR 37 13.617 -0.746 2.180 251 HB2 TYR 37 1HB TYR 37 13.140 1.341 0.974 252 HB3 TYR 37 2HB TYR 37 12.806 2.152 2.500 253 HD1 TYR 37 2HD TYR 37 15.506 0.334 0.686 254 HD2 TYR 37 1HD TYR 37 14.523 3.243 3.632 255 HE1 TYR 37 2HE TYR 37 17.884 0.932 0.881 256 HE2 TYR 37 1HE TYR 37 16.898 3.850 3.834 257 HH TYR 37 HH TYR 37 19.259 2.799 1.605 258 H ASP 38 H ASP 38 11.604 0.835 4.585 259 HA ASP 38 HA ASP 38 13.361 1.405 6.596 260 HB2 ASP 38 1HB ASP 38 10.922 1.814 6.702 261 HB3 ASP 38 2HB ASP 38 10.660 0.091 6.957 262 H GLN 39 H GLN 39 12.001 -1.766 5.802 263 HA GLN 39 HA GLN 39 13.940 -2.979 7.659 264 HB2 GLN 39 1HB GLN 39 11.152 -3.747 6.890 265 HB3 GLN 39 2HB GLN 39 12.285 -5.000 7.381 266 HG2 GLN 39 1HG GLN 39 11.943 -2.598 9.106 267 HG3 GLN 39 2HG GLN 39 10.709 -3.857 9.120 268 HE21 GLN 39 1HE2 GLN 39 11.282 -4.181 11.337 269 HE22 GLN 39 2HE2 GLN 39 12.665 -5.133 11.746 270 H LYS 40 H LYS 40 14.658 -2.192 5.044 271 HA LYS 40 HA LYS 40 15.364 -2.987 2.991 272 HB2 LYS 40 1HB LYS 40 16.583 -4.591 5.179 273 HB3 LYS 40 2HB LYS 40 16.859 -5.137 3.530 274 HG2 LYS 40 1HG LYS 40 18.146 -3.337 2.998 275 HG3 LYS 40 2HG LYS 40 17.319 -2.269 4.134 276 HD2 LYS 40 1HD LYS 40 18.529 -3.079 5.960 277 HD3 LYS 40 2HD LYS 40 19.017 -4.544 5.104 278 HE2 LYS 40 1HE LYS 40 20.961 -3.314 5.040 279 HE3 LYS 40 2HE LYS 40 20.218 -2.863 3.507 280 HZ1 LYS 40 1HZ LYS 40 19.455 -0.828 4.449 281 HZ2 LYS 40 2HZ LYS 40 21.102 -0.965 4.806 282 HZ3 LYS 40 3HZ LYS 40 19.949 -1.280 6.003 283 H MET 41 H MET 41 12.715 -3.957 3.681 284 HA MET 41 HA MET 41 12.761 -6.471 2.150 285 HB2 MET 41 1HB MET 41 11.082 -7.433 3.490 286 HB3 MET 41 2HB MET 41 12.213 -6.722 4.633 287 HG2 MET 41 1HG MET 41 10.770 -4.931 5.111 288 HG3 MET 41 2HG MET 41 9.752 -5.278 3.716 289 HE1 MET 41 1HE MET 41 8.786 -7.428 3.311 290 HE2 MET 41 2HE MET 41 8.769 -8.787 4.434 291 HE3 MET 41 3HE MET 41 7.411 -7.662 4.391 292 HA PRO 42 HA PRO 42 9.933 -4.567 -0.618 293 HB2 PRO 42 1HB PRO 42 8.511 -6.721 -1.461 294 HB3 PRO 42 2HB PRO 42 10.183 -6.422 -1.951 295 HG2 PRO 42 1HG PRO 42 9.129 -8.251 0.172 296 HG3 PRO 42 2HG PRO 42 10.405 -8.543 -1.025 297 HD2 PRO 42 1HD PRO 42 10.943 -7.897 1.549 298 HD3 PRO 42 2HD PRO 42 11.991 -7.407 0.202 299 H VAL 43 H VAL 43 7.833 -3.800 -0.786 300 HA VAL 43 HA VAL 43 6.277 -3.823 1.595 301 HB VAL 43 HB VAL 43 5.546 -2.799 -1.152 302 HG11 VAL 43 1HG1 VAL 43 4.161 -2.768 1.462 303 HG12 VAL 43 2HG1 VAL 43 4.116 -1.279 0.516 304 HG13 VAL 43 3HG1 VAL 43 3.501 -2.782 -0.173 305 HG21 VAL 43 1HG2 VAL 43 7.249 -1.391 -0.679 306 HG22 VAL 43 2HG2 VAL 43 6.031 -0.598 0.319 307 HG23 VAL 43 3HG2 VAL 43 7.180 -1.716 1.053 308 H ILE 44 H ILE 44 5.506 -5.835 2.094 309 HA ILE 44 HA ILE 44 3.882 -7.226 0.085 310 HB ILE 44 HB ILE 44 4.827 -8.257 2.760 311 HG12 ILE 44 1HG1 ILE 44 6.751 -7.853 1.350 312 HG13 ILE 44 2HG1 ILE 44 6.445 -9.586 1.406 313 HG21 ILE 44 1HG2 ILE 44 3.941 -10.308 2.205 314 HG22 ILE 44 2HG2 ILE 44 2.743 -9.214 1.516 315 HG23 ILE 44 3HG2 ILE 44 3.953 -9.965 0.475 316 HD11 ILE 44 1HD1 ILE 44 6.513 -9.577 -0.803 317 HD12 ILE 44 2HD1 ILE 44 5.006 -8.661 -0.791 318 HD13 ILE 44 3HD1 ILE 44 6.552 -7.815 -0.851 319 H VAL 45 H VAL 45 1.735 -7.585 0.347 320 HA VAL 45 HA VAL 45 0.158 -5.888 1.833 321 HB VAL 45 HB VAL 45 -0.502 -8.668 0.857 322 HG11 VAL 45 1HG1 VAL 45 -2.460 -6.518 1.640 323 HG12 VAL 45 2HG1 VAL 45 -2.804 -8.193 1.201 324 HG13 VAL 45 3HG1 VAL 45 -1.977 -7.829 2.716 325 HG21 VAL 45 1HG2 VAL 45 -1.211 -7.717 -1.113 326 HG22 VAL 45 2HG2 VAL 45 -1.490 -6.138 -0.379 327 HG23 VAL 45 3HG2 VAL 45 0.156 -6.676 -0.714 328 H SER 46 H SER 46 -0.567 -5.798 3.874 329 HA SER 46 HA SER 46 0.489 -7.701 5.787 330 HB2 SER 46 1HB SER 46 0.479 -5.201 6.163 331 HB3 SER 46 2HB SER 46 -1.272 -5.307 6.345 332 HG SER 46 HG SER 46 0.273 -7.055 7.863 333 H ARG 47 H ARG 47 -2.752 -6.292 5.276 334 HA ARG 47 HA ARG 47 -3.939 -8.934 5.608 335 HB2 ARG 47 1HB ARG 47 -3.814 -7.941 7.883 336 HB3 ARG 47 2HB ARG 47 -4.775 -6.582 7.313 337 HG2 ARG 47 1HG ARG 47 -6.161 -8.152 8.517 338 HG3 ARG 47 2HG ARG 47 -6.625 -8.110 6.815 339 HD2 ARG 47 1HD ARG 47 -5.852 -10.221 6.409 340 HD3 ARG 47 2HD ARG 47 -4.611 -10.123 7.658 341 HE ARG 47 HE ARG 47 -7.351 -10.987 7.984 342 HH11 ARG 47 2HH1 ARG 47 -4.445 -9.873 9.544 343 HH12 ARG 47 1HH1 ARG 47 -4.860 -10.543 11.086 344 HH21 ARG 47 2HH2 ARG 47 -7.909 -11.874 10.010 345 HH22 ARG 47 1HH2 ARG 47 -6.831 -11.682 11.350 346 H VAL 48 H VAL 48 -6.225 -8.983 5.016 347 HA VAL 48 HA VAL 48 -7.056 -6.714 3.339 348 HB VAL 48 HB VAL 48 -7.289 -9.621 2.550 349 HG11 VAL 48 1HG1 VAL 48 -8.489 -8.990 0.708 350 HG12 VAL 48 2HG1 VAL 48 -9.054 -7.783 1.865 351 HG13 VAL 48 3HG1 VAL 48 -7.811 -7.363 0.686 352 HG21 VAL 48 1HG2 VAL 48 -5.067 -9.169 2.144 353 HG22 VAL 48 2HG2 VAL 48 -5.801 -8.679 0.616 354 HG23 VAL 48 3HG2 VAL 48 -5.363 -7.461 1.815 355 H ALA 49 H ALA 49 -9.044 -6.032 3.782 356 HA ALA 49 HA ALA 49 -10.723 -7.601 5.564 357 HB1 ALA 49 1HB ALA 49 -10.525 -4.768 4.787 358 HB2 ALA 49 2HB ALA 49 -12.153 -5.357 5.127 359 HB3 ALA 49 3HB ALA 49 -10.890 -5.497 6.351 360 HA PRO 50 HA PRO 50 -13.416 -9.149 2.448 361 HB2 PRO 50 1HB PRO 50 -15.675 -9.464 3.919 362 HB3 PRO 50 2HB PRO 50 -14.271 -10.526 4.076 363 HG2 PRO 50 1HG PRO 50 -15.095 -8.211 5.785 364 HG3 PRO 50 2HG PRO 50 -14.477 -9.799 6.275 365 HD2 PRO 50 1HD PRO 50 -12.917 -7.587 6.204 366 HD3 PRO 50 2HD PRO 50 -12.286 -9.212 5.867 367 H GLY 51 H GLY 51 -15.434 -8.687 1.314 368 HA2 GLY 51 1HA GLY 51 -16.756 -7.194 0.169 369 HA3 GLY 51 2HA GLY 51 -17.174 -6.604 1.771 370 H THR 52 H THR 52 -14.023 -6.466 0.174 371 HA THR 52 HA THR 52 -14.190 -3.527 0.310 372 HB THR 52 HB THR 52 -11.673 -3.589 0.347 373 HG1 THR 52 1HG THR 52 -12.129 -6.358 0.864 374 HG21 THR 52 1HG2 THR 52 -12.670 -5.132 2.703 375 HG22 THR 52 2HG2 THR 52 -13.324 -3.525 2.384 376 HG23 THR 52 3HG2 THR 52 -11.593 -3.737 2.648 377 HA PRO 53 HA PRO 53 -13.671 -3.239 -4.042 378 HB2 PRO 53 1HB PRO 53 -12.257 -0.931 -4.244 379 HB3 PRO 53 2HB PRO 53 -13.968 -0.974 -3.805 380 HG2 PRO 53 1HG PRO 53 -11.565 -0.711 -2.039 381 HG3 PRO 53 2HG PRO 53 -13.106 0.163 -1.968 382 HD2 PRO 53 1HD PRO 53 -12.535 -1.918 -0.333 383 HD3 PRO 53 2HD PRO 53 -14.183 -1.568 -0.893 384 H ALA 54 H ALA 54 -11.198 -4.059 -2.031 385 HA ALA 54 HA ALA 54 -9.181 -4.074 -4.173 386 HB1 ALA 54 1HB ALA 54 -7.660 -3.560 -2.638 387 HB2 ALA 54 2HB ALA 54 -8.982 -3.334 -1.492 388 HB3 ALA 54 3HB ALA 54 -8.168 -4.895 -1.603 389 H ASP 55 H ASP 55 -11.261 -6.059 -2.319 390 HA ASP 55 HA ASP 55 -9.747 -8.483 -2.959 391 HB2 ASP 55 1HB ASP 55 -10.873 -7.917 -0.649 392 HB3 ASP 55 2HB ASP 55 -12.328 -8.514 -1.443 393 H LEU 56 H LEU 56 -13.068 -7.225 -3.254 394 HA LEU 56 HA LEU 56 -14.141 -9.247 -4.809 395 HB2 LEU 56 1HB LEU 56 -14.764 -6.309 -5.055 396 HB3 LEU 56 2HB LEU 56 -15.807 -7.651 -5.522 397 HG LEU 56 HG LEU 56 -14.946 -7.274 -2.672 398 HD11 LEU 56 1HD1 LEU 56 -16.000 -5.296 -2.699 399 HD12 LEU 56 2HD1 LEU 56 -17.468 -6.272 -2.734 400 HD13 LEU 56 3HD1 LEU 56 -16.803 -5.628 -4.234 401 HD21 LEU 56 1HD2 LEU 56 -16.596 -8.771 -2.162 402 HD22 LEU 56 2HD2 LEU 56 -16.142 -9.358 -3.762 403 HD23 LEU 56 3HD2 LEU 56 -17.573 -8.345 -3.567 404 H CYS 57 H CYS 57 -12.111 -6.546 -5.746 405 HA CYS 57 HA CYS 57 -12.484 -6.727 -8.535 406 HB2 CYS 57 1HB CYS 57 -10.610 -5.287 -8.738 407 HB3 CYS 57 2HB CYS 57 -11.408 -4.822 -7.241 408 HG CYS 57 HG CYS 57 -8.300 -5.537 -7.675 409 H VAL 58 H VAL 58 -10.708 -7.350 -10.076 410 HA VAL 58 HA VAL 58 -9.213 -9.708 -9.159 411 HB VAL 58 HB VAL 58 -11.176 -10.622 -10.207 412 HG11 VAL 58 1HG1 VAL 58 -11.680 -8.522 -11.515 413 HG12 VAL 58 2HG1 VAL 58 -10.516 -9.093 -12.713 414 HG13 VAL 58 3HG1 VAL 58 -11.961 -10.042 -12.363 415 HG21 VAL 58 1HG2 VAL 58 -9.374 -11.984 -10.711 416 HG22 VAL 58 2HG2 VAL 58 -10.049 -11.656 -12.308 417 HG23 VAL 58 3HG2 VAL 58 -8.622 -10.779 -11.756 418 HA PRO 59 HA PRO 59 -7.763 -11.111 -9.874 419 HB2 PRO 59 1HB PRO 59 -5.161 -11.083 -9.098 420 HB3 PRO 59 2HB PRO 59 -5.678 -11.597 -10.709 421 HG2 PRO 59 1HG PRO 59 -4.567 -8.961 -9.828 422 HG3 PRO 59 2HG PRO 59 -4.191 -9.904 -11.282 423 HD2 PRO 59 1HD PRO 59 -5.866 -7.777 -11.318 424 HD3 PRO 59 2HD PRO 59 -6.072 -9.173 -12.395 425 H ARG 60 H ARG 60 -8.357 -11.385 -7.813 426 HA ARG 60 HA ARG 60 -8.663 -9.328 -5.994 427 HB2 ARG 60 1HB ARG 60 -9.902 -11.350 -5.700 428 HB3 ARG 60 2HB ARG 60 -8.431 -12.304 -5.559 429 HG2 ARG 60 1HG ARG 60 -7.992 -10.764 -3.489 430 HG3 ARG 60 2HG ARG 60 -9.740 -10.529 -3.562 431 HD2 ARG 60 1HD ARG 60 -8.689 -13.304 -3.728 432 HD3 ARG 60 2HD ARG 60 -8.643 -12.494 -2.163 433 HE ARG 60 HE ARG 60 -10.946 -12.594 -2.064 434 HH11 ARG 60 2HH1 ARG 60 -9.838 -13.545 -5.224 435 HH12 ARG 60 1HH1 ARG 60 -11.381 -14.156 -5.724 436 HH21 ARG 60 2HH2 ARG 60 -12.981 -13.396 -2.710 437 HH22 ARG 60 1HH2 ARG 60 -13.168 -14.070 -4.293 438 H LEU 61 H LEU 61 -7.394 -8.327 -4.554 439 HA LEU 61 HA LEU 61 -4.573 -8.891 -4.555 440 HB2 LEU 61 1HB LEU 61 -5.532 -6.595 -4.521 441 HB3 LEU 61 2HB LEU 61 -6.108 -6.906 -2.885 442 HG LEU 61 HG LEU 61 -3.720 -7.232 -2.200 443 HD11 LEU 61 1HD1 LEU 61 -3.252 -7.324 -4.915 444 HD12 LEU 61 2HD1 LEU 61 -2.033 -7.172 -3.651 445 HD13 LEU 61 3HD1 LEU 61 -2.661 -5.729 -4.447 446 HD21 LEU 61 1HD2 LEU 61 -4.024 -4.507 -3.386 447 HD22 LEU 61 2HD2 LEU 61 -3.400 -4.981 -1.806 448 HD23 LEU 61 3HD2 LEU 61 -5.133 -5.047 -2.126 449 H ASN 62 H ASN 62 -4.372 -10.918 -3.584 450 HA ASN 62 HA ASN 62 -5.298 -11.215 -0.829 451 HB2 ASN 62 1HB ASN 62 -4.309 -13.577 -1.173 452 HB3 ASN 62 2HB ASN 62 -5.773 -13.156 -2.056 453 HD21 ASN 62 1HD2 ASN 62 -5.251 -14.822 -3.538 454 HD22 ASN 62 2HD2 ASN 62 -4.064 -14.568 -4.768 455 H GLU 63 H GLU 63 -3.892 -11.775 0.882 456 HA GLU 63 HA GLU 63 -1.624 -10.288 1.199 457 HB2 GLU 63 1HB GLU 63 -2.314 -12.949 2.451 458 HB3 GLU 63 2HB GLU 63 -0.979 -11.939 2.989 459 HG2 GLU 63 1HG GLU 63 -2.560 -11.245 4.450 460 HG3 GLU 63 2HG GLU 63 -2.895 -10.121 3.134 461 H GLY 64 H GLY 64 0.589 -10.602 0.992 462 HA2 GLY 64 1HA GLY 64 2.475 -12.048 0.502 463 HA3 GLY 64 2HA GLY 64 1.420 -12.971 -0.558 464 H ASP 65 H ASP 65 0.216 -10.916 -1.988 465 HA ASP 65 HA ASP 65 1.759 -10.530 -4.152 466 HB2 ASP 65 1HB ASP 65 -0.134 -8.474 -2.990 467 HB3 ASP 65 2HB ASP 65 0.452 -8.487 -4.651 468 H GLN 66 H GLN 66 3.665 -9.645 -4.561 469 HA GLN 66 HA GLN 66 4.858 -7.841 -2.616 470 HB2 GLN 66 1HB GLN 66 6.125 -9.779 -3.550 471 HB3 GLN 66 2HB GLN 66 6.075 -9.001 -5.127 472 HG2 GLN 66 1HG GLN 66 7.270 -7.057 -4.124 473 HG3 GLN 66 2HG GLN 66 7.449 -8.002 -2.647 474 HE21 GLN 66 1HE2 GLN 66 9.437 -6.917 -4.550 475 HE22 GLN 66 2HE2 GLN 66 10.395 -8.272 -5.030 476 H VAL 67 H VAL 67 4.368 -5.755 -2.816 477 HA VAL 67 HA VAL 67 3.652 -4.575 -5.336 478 HB VAL 67 HB VAL 67 4.159 -3.248 -2.669 479 HG11 VAL 67 1HG1 VAL 67 3.847 -1.294 -3.675 480 HG12 VAL 67 2HG1 VAL 67 3.843 -2.126 -5.231 481 HG13 VAL 67 3HG1 VAL 67 2.327 -1.857 -4.370 482 HG21 VAL 67 1HG2 VAL 67 1.508 -3.930 -3.920 483 HG22 VAL 67 2HG2 VAL 67 2.320 -4.972 -2.752 484 HG23 VAL 67 3HG2 VAL 67 1.819 -3.347 -2.285 485 H VAL 68 H VAL 68 5.157 -4.138 -6.808 486 HA VAL 68 HA VAL 68 7.871 -3.471 -6.006 487 HB VAL 68 HB VAL 68 6.674 -3.808 -8.760 488 HG11 VAL 68 1HG1 VAL 68 9.515 -4.136 -8.654 489 HG12 VAL 68 2HG1 VAL 68 8.560 -3.003 -9.613 490 HG13 VAL 68 3HG1 VAL 68 9.078 -2.565 -7.984 491 HG21 VAL 68 1HG2 VAL 68 6.690 -5.877 -7.465 492 HG22 VAL 68 2HG2 VAL 68 7.866 -5.945 -8.778 493 HG23 VAL 68 3HG2 VAL 68 8.407 -5.660 -7.124 494 H LEU 69 H LEU 69 5.203 -1.995 -7.823 495 HA LEU 69 HA LEU 69 6.200 0.640 -7.100 496 HB2 LEU 69 1HB LEU 69 5.765 -0.230 -9.951 497 HB3 LEU 69 2HB LEU 69 5.960 1.446 -9.442 498 HG LEU 69 HG LEU 69 8.057 -0.686 -9.058 499 HD11 LEU 69 1HD1 LEU 69 8.695 -0.439 -11.165 500 HD12 LEU 69 2HD1 LEU 69 8.750 1.314 -10.983 501 HD13 LEU 69 3HD1 LEU 69 7.247 0.524 -11.460 502 HD21 LEU 69 1HD2 LEU 69 9.393 0.919 -8.179 503 HD22 LEU 69 2HD2 LEU 69 7.839 1.610 -7.710 504 HD23 LEU 69 3HD2 LEU 69 8.673 2.206 -9.146 505 H ILE 70 H ILE 70 4.623 2.274 -7.184 506 HA ILE 70 HA ILE 70 1.872 1.305 -7.611 507 HB ILE 70 HB ILE 70 2.854 3.244 -5.516 508 HG12 ILE 70 1HG1 ILE 70 1.382 0.651 -5.087 509 HG13 ILE 70 2HG1 ILE 70 3.138 0.709 -5.200 510 HG21 ILE 70 1HG2 ILE 70 0.795 4.053 -5.301 511 HG22 ILE 70 2HG2 ILE 70 0.381 3.225 -6.801 512 HG23 ILE 70 3HG2 ILE 70 0.103 2.432 -5.251 513 HD11 ILE 70 1HD1 ILE 70 2.807 0.808 -2.935 514 HD12 ILE 70 2HD1 ILE 70 2.913 2.521 -3.345 515 HD13 ILE 70 3HD1 ILE 70 1.338 1.772 -3.082 516 H ASN 71 H ASN 71 0.823 2.329 -9.172 517 HA ASN 71 HA ASN 71 0.275 3.858 -10.767 518 HB2 ASN 71 1HB ASN 71 0.719 5.449 -8.292 519 HB3 ASN 71 2HB ASN 71 0.565 6.338 -9.804 520 HD21 ASN 71 1HD2 ASN 71 -1.003 3.579 -8.208 521 HD22 ASN 71 2HD2 ASN 71 -2.620 4.102 -8.522 522 H GLY 72 H GLY 72 2.858 2.854 -11.025 523 HA2 GLY 72 1HA GLY 72 4.841 3.249 -12.112 524 HA3 GLY 72 2HA GLY 72 4.004 4.599 -12.863 525 H ARG 73 H ARG 73 4.610 4.271 -9.414 526 HA ARG 73 HA ARG 73 6.593 6.438 -9.600 527 HB2 ARG 73 1HB ARG 73 4.157 6.249 -7.861 528 HB3 ARG 73 2HB ARG 73 5.563 7.150 -7.311 529 HG2 ARG 73 1HG ARG 73 4.343 7.690 -9.990 530 HG3 ARG 73 2HG ARG 73 3.682 8.410 -8.520 531 HD2 ARG 73 1HD ARG 73 6.531 8.665 -9.478 532 HD3 ARG 73 2HD ARG 73 5.281 9.899 -9.637 533 HE ARG 73 HE ARG 73 5.783 9.005 -6.935 534 HH11 ARG 73 2HH1 ARG 73 6.568 11.300 -9.432 535 HH12 ARG 73 1HH1 ARG 73 7.176 12.490 -8.328 536 HH21 ARG 73 2HH2 ARG 73 6.581 10.563 -5.472 537 HH22 ARG 73 1HH2 ARG 73 7.184 12.069 -6.076 538 H ASP 74 H ASP 74 8.468 5.838 -8.762 539 HA ASP 74 HA ASP 74 9.060 3.460 -7.549 540 HB2 ASP 74 1HB ASP 74 10.394 6.153 -7.334 541 HB3 ASP 74 2HB ASP 74 11.059 4.725 -6.545 542 H ILE 75 H ILE 75 8.442 2.561 -5.709 543 HA ILE 75 HA ILE 75 7.769 4.317 -3.440 544 HB ILE 75 HB ILE 75 6.272 2.542 -2.642 545 HG12 ILE 75 1HG1 ILE 75 5.706 0.846 -4.626 546 HG13 ILE 75 2HG1 ILE 75 7.401 1.130 -5.009 547 HG21 ILE 75 1HG2 ILE 75 5.865 4.271 -4.806 548 HG22 ILE 75 2HG2 ILE 75 5.100 2.748 -5.255 549 HG23 ILE 75 3HG2 ILE 75 4.641 3.556 -3.757 550 HD11 ILE 75 1HD1 ILE 75 6.982 0.587 -2.193 551 HD12 ILE 75 2HD1 ILE 75 6.419 -0.722 -3.234 552 HD13 ILE 75 3HD1 ILE 75 8.088 -0.163 -3.343 553 H ALA 76 H ALA 76 9.448 1.427 -4.481 554 HA ALA 76 HA ALA 76 10.141 0.194 -2.148 555 HB1 ALA 76 1HB ALA 76 12.474 -0.052 -3.429 556 HB2 ALA 76 2HB ALA 76 11.022 -0.937 -3.901 557 HB3 ALA 76 3HB ALA 76 11.479 0.532 -4.763 558 H GLU 77 H GLU 77 11.749 3.020 -3.585 559 HA GLU 77 HA GLU 77 13.747 3.294 -1.628 560 HB2 GLU 77 1HB GLU 77 12.475 5.325 -3.465 561 HB3 GLU 77 2HB GLU 77 13.860 5.678 -2.441 562 HG2 GLU 77 1HG GLU 77 13.864 3.455 -4.457 563 HG3 GLU 77 2HG GLU 77 14.345 5.105 -4.851 564 H HIS 78 H HIS 78 10.410 4.306 -1.725 565 HA HIS 78 HA HIS 78 10.582 6.126 0.473 566 HB2 HIS 78 1HB HIS 78 8.388 4.922 -1.145 567 HB3 HIS 78 2HB HIS 78 7.974 5.589 0.432 568 HD1 HIS 78 1HD HIS 78 7.327 6.683 -2.597 569 HD2 HIS 78 2HD HIS 78 9.918 8.275 0.235 570 HE1 HIS 78 1HE HIS 78 7.577 9.111 -3.203 571 HE2 HIS 78 2HE HIS 78 9.215 10.034 -1.526 572 H THR 79 H THR 79 9.316 5.792 2.499 573 HA THR 79 HA THR 79 9.858 3.102 3.544 574 HB THR 79 HB THR 79 9.541 4.264 5.803 575 HG1 THR 79 1HG THR 79 8.562 6.176 4.995 576 HG21 THR 79 1HG2 THR 79 11.855 5.622 5.160 577 HG22 THR 79 2HG2 THR 79 11.783 4.349 3.942 578 HG23 THR 79 3HG2 THR 79 11.752 3.934 5.655 579 H HIS 80 H HIS 80 8.330 2.048 4.889 580 HA HIS 80 HA HIS 80 5.809 1.744 4.030 581 HB2 HIS 80 1HB HIS 80 6.551 0.270 5.718 582 HB3 HIS 80 2HB HIS 80 6.864 1.586 6.846 583 HD1 HIS 80 1HD HIS 80 4.465 -0.972 6.155 584 HD2 HIS 80 2HD HIS 80 4.279 2.916 7.610 585 HE1 HIS 80 1HE HIS 80 2.241 -0.794 7.316 586 HE2 HIS 80 2HE HIS 80 2.114 1.592 8.113 587 H ASP 81 H ASP 81 6.479 3.805 6.866 588 HA ASP 81 HA ASP 81 4.091 4.959 7.299 589 HB2 ASP 81 1HB ASP 81 6.719 6.456 7.212 590 HB3 ASP 81 2HB ASP 81 5.264 6.992 8.047 591 H GLN 82 H GLN 82 6.286 5.772 4.662 592 HA GLN 82 HA GLN 82 4.616 7.910 3.694 593 HB2 GLN 82 1HB GLN 82 6.941 8.165 3.291 594 HB3 GLN 82 2HB GLN 82 7.078 6.547 2.617 595 HG2 GLN 82 1HG GLN 82 7.129 7.802 0.715 596 HG3 GLN 82 2HG GLN 82 5.401 7.473 0.837 597 HE21 GLN 82 1HE2 GLN 82 4.851 9.295 -0.339 598 HE22 GLN 82 2HE2 GLN 82 4.990 10.892 0.305 599 H VAL 83 H VAL 83 5.602 4.756 2.343 600 HA VAL 83 HA VAL 83 4.102 4.612 0.101 601 HB VAL 83 HB VAL 83 4.521 2.412 2.126 602 HG11 VAL 83 1HG1 VAL 83 3.280 2.376 -0.597 603 HG12 VAL 83 2HG1 VAL 83 4.146 0.964 0.013 604 HG13 VAL 83 3HG1 VAL 83 2.744 1.586 0.885 605 HG21 VAL 83 1HG2 VAL 83 5.943 2.998 -0.469 606 HG22 VAL 83 2HG2 VAL 83 6.553 3.414 1.133 607 HG23 VAL 83 3HG2 VAL 83 6.334 1.723 0.685 608 H VAL 84 H VAL 84 2.928 4.074 3.396 609 HA VAL 84 HA VAL 84 0.337 3.229 2.783 610 HB VAL 84 HB VAL 84 1.254 4.838 5.170 611 HG11 VAL 84 1HG1 VAL 84 -1.062 2.988 5.292 612 HG12 VAL 84 2HG1 VAL 84 -0.756 4.482 6.180 613 HG13 VAL 84 3HG1 VAL 84 -1.300 4.547 4.503 614 HG21 VAL 84 1HG2 VAL 84 1.053 2.423 6.173 615 HG22 VAL 84 2HG2 VAL 84 1.307 1.933 4.498 616 HG23 VAL 84 3HG2 VAL 84 2.514 2.921 5.320 617 H LEU 85 H LEU 85 1.403 6.511 3.698 618 HA LEU 85 HA LEU 85 -1.044 7.774 3.182 619 HB2 LEU 85 1HB LEU 85 1.764 8.639 3.536 620 HB3 LEU 85 2HB LEU 85 0.669 9.785 2.766 621 HG LEU 85 HG LEU 85 -0.833 9.297 4.854 622 HD11 LEU 85 1HD1 LEU 85 0.150 7.717 6.136 623 HD12 LEU 85 2HD1 LEU 85 1.004 9.114 6.791 624 HD13 LEU 85 3HD1 LEU 85 1.774 8.105 5.567 625 HD21 LEU 85 1HD2 LEU 85 0.691 11.036 6.108 626 HD22 LEU 85 2HD2 LEU 85 -0.189 11.483 4.646 627 HD23 LEU 85 3HD2 LEU 85 1.528 11.085 4.557 628 H PHE 86 H PHE 86 1.859 7.501 1.142 629 HA PHE 86 HA PHE 86 1.250 8.935 -1.042 630 HB2 PHE 86 1HB PHE 86 3.225 7.377 -0.730 631 HB3 PHE 86 2HB PHE 86 2.183 6.074 -1.292 632 HD1 PHE 86 1HD PHE 86 2.929 9.568 -2.385 633 HD2 PHE 86 2HD PHE 86 2.574 5.465 -3.460 634 HE1 PHE 86 1HE PHE 86 3.491 10.132 -4.713 635 HE2 PHE 86 2HE PHE 86 3.136 6.022 -5.789 636 HZ PHE 86 HZ PHE 86 3.596 8.358 -6.418 637 H ILE 87 H ILE 87 -0.073 5.715 -0.350 638 HA ILE 87 HA ILE 87 -1.656 5.558 -2.696 639 HB ILE 87 HB ILE 87 -2.049 4.127 -0.065 640 HG12 ILE 87 1HG1 ILE 87 -0.748 2.978 -2.518 641 HG13 ILE 87 2HG1 ILE 87 0.195 3.906 -1.356 642 HG21 ILE 87 1HG2 ILE 87 -4.032 4.096 -1.506 643 HG22 ILE 87 2HG2 ILE 87 -3.058 3.443 -2.822 644 HG23 ILE 87 3HG2 ILE 87 -3.308 2.496 -1.356 645 HD11 ILE 87 1HD1 ILE 87 0.057 1.317 -1.176 646 HD12 ILE 87 2HD1 ILE 87 -0.008 2.311 0.280 647 HD13 ILE 87 3HD1 ILE 87 -1.492 1.645 -0.401 648 H LYS 88 H LYS 88 -2.504 6.307 0.683 649 HA LYS 88 HA LYS 88 -5.205 6.777 0.367 650 HB2 LYS 88 1HB LYS 88 -3.148 7.914 2.231 651 HB3 LYS 88 2HB LYS 88 -4.804 8.505 2.280 652 HG2 LYS 88 1HG LYS 88 -5.553 6.147 2.617 653 HG3 LYS 88 2HG LYS 88 -3.854 5.693 2.769 654 HD2 LYS 88 1HD LYS 88 -5.064 7.852 4.470 655 HD3 LYS 88 2HD LYS 88 -5.172 6.149 4.922 656 HE2 LYS 88 1HE LYS 88 -2.639 6.088 4.628 657 HE3 LYS 88 2HE LYS 88 -2.715 7.849 4.600 658 HZ1 LYS 88 1HZ LYS 88 -2.528 6.292 6.825 659 HZ2 LYS 88 2HZ LYS 88 -4.164 6.722 6.796 660 HZ3 LYS 88 3HZ LYS 88 -2.974 7.924 6.794 661 H ALA 89 H ALA 89 -2.498 8.969 -0.220 662 HA ALA 89 HA ALA 89 -3.665 11.386 -0.554 663 HB1 ALA 89 1HB ALA 89 -1.248 10.734 -0.969 664 HB2 ALA 89 2HB ALA 89 -1.747 10.328 -2.612 665 HB3 ALA 89 3HB ALA 89 -1.922 11.980 -2.019 666 H SER 90 H SER 90 -3.746 8.723 -2.890 667 HA SER 90 HA SER 90 -4.810 9.782 -5.112 668 HB2 SER 90 1HB SER 90 -4.479 7.296 -4.479 669 HB3 SER 90 2HB SER 90 -6.149 7.364 -3.918 670 HG SER 90 HG SER 90 -5.633 8.383 -6.452 671 H CYS 91 H CYS 91 -6.546 9.285 -2.086 672 HA CYS 91 HA CYS 91 -9.143 9.700 -2.761 673 HB2 CYS 91 1HB CYS 91 -8.494 9.311 -0.466 674 HB3 CYS 91 2HB CYS 91 -7.651 10.854 -0.399 675 HG CYS 91 HG CYS 91 -9.667 12.305 0.288 676 H GLU 92 H GLU 92 -6.707 12.238 -2.266 677 HA GLU 92 HA GLU 92 -8.039 14.541 -2.425 678 HB2 GLU 92 1HB GLU 92 -6.181 15.549 -3.531 679 HB3 GLU 92 2HB GLU 92 -5.544 14.256 -2.525 680 HG2 GLU 92 1HG GLU 92 -5.155 12.862 -4.380 681 HG3 GLU 92 2HG GLU 92 -6.128 13.877 -5.443 682 H ARG 93 H ARG 93 -7.645 12.295 -5.103 683 HA ARG 93 HA ARG 93 -9.543 13.926 -6.662 684 HB2 ARG 93 1HB ARG 93 -8.492 13.025 -8.700 685 HB3 ARG 93 2HB ARG 93 -7.353 13.940 -7.721 686 HG2 ARG 93 1HG ARG 93 -6.732 11.615 -6.742 687 HG3 ARG 93 2HG ARG 93 -7.490 11.002 -8.213 688 HD2 ARG 93 1HD ARG 93 -5.385 13.141 -8.286 689 HD3 ARG 93 2HD ARG 93 -4.967 11.429 -8.258 690 HE ARG 93 HE ARG 93 -6.843 12.205 -10.317 691 HH11 ARG 93 2HH1 ARG 93 -3.508 11.697 -9.458 692 HH12 ARG 93 1HH1 ARG 93 -2.983 11.483 -11.095 693 HH21 ARG 93 2HH2 ARG 93 -6.164 11.924 -12.477 694 HH22 ARG 93 1HH2 ARG 93 -4.494 11.613 -12.811 695 H HIS 94 H HIS 94 -11.297 12.925 -7.524 696 HA HIS 94 HA HIS 94 -11.720 10.135 -6.730 697 HB2 HIS 94 1HB HIS 94 -13.794 12.083 -7.743 698 HB3 HIS 94 2HB HIS 94 -14.071 10.559 -6.905 699 HD1 HIS 94 1HD HIS 94 -13.900 14.097 -6.317 700 HD2 HIS 94 2HD HIS 94 -13.018 10.687 -4.114 701 HE1 HIS 94 1HE HIS 94 -13.842 14.844 -3.916 702 HE2 HIS 94 2HE HIS 94 -13.222 12.781 -2.610 703 H SER 95 H SER 95 -12.297 12.282 -9.515 704 HA SER 95 HA SER 95 -13.062 10.296 -11.327 705 HB2 SER 95 1HB SER 95 -11.884 13.042 -11.648 706 HB3 SER 95 2HB SER 95 -12.152 12.017 -13.057 707 HG SER 95 HG SER 95 -14.007 13.192 -11.323 708 H GLY 96 H GLY 96 -11.716 8.497 -11.130 709 HA2 GLY 96 1HA GLY 96 -9.736 8.068 -12.917 710 HA3 GLY 96 2HA GLY 96 -8.866 8.755 -11.553 711 H GLU 97 H GLU 97 -7.957 6.421 -12.062 712 HA GLU 97 HA GLU 97 -9.235 4.632 -10.108 713 HB2 GLU 97 1HB GLU 97 -8.701 2.703 -11.486 714 HB3 GLU 97 2HB GLU 97 -9.708 3.827 -12.388 715 HG2 GLU 97 1HG GLU 97 -8.038 4.384 -13.838 716 HG3 GLU 97 2HG GLU 97 -6.760 4.040 -12.673 717 H LEU 98 H LEU 98 -7.637 2.806 -9.501 718 HA LEU 98 HA LEU 98 -4.985 4.025 -9.092 719 HB2 LEU 98 1HB LEU 98 -6.498 3.689 -7.083 720 HB3 LEU 98 2HB LEU 98 -6.264 1.959 -7.322 721 HG LEU 98 HG LEU 98 -3.725 2.586 -7.160 722 HD11 LEU 98 1HD1 LEU 98 -3.936 4.479 -5.189 723 HD12 LEU 98 2HD1 LEU 98 -5.078 5.054 -6.403 724 HD13 LEU 98 3HD1 LEU 98 -3.394 4.769 -6.842 725 HD21 LEU 98 1HD2 LEU 98 -5.700 2.322 -4.915 726 HD22 LEU 98 2HD2 LEU 98 -3.964 2.418 -4.617 727 HD23 LEU 98 3HD2 LEU 98 -4.621 1.101 -5.590 728 H MET 99 H MET 99 -3.237 2.940 -9.762 729 HA MET 99 HA MET 99 -3.603 0.147 -10.628 730 HB2 MET 99 1HB MET 99 -1.864 2.298 -11.847 731 HB3 MET 99 2HB MET 99 -1.835 0.606 -12.327 732 HG2 MET 99 1HG MET 99 -4.125 0.736 -13.073 733 HG3 MET 99 2HG MET 99 -4.247 2.396 -12.493 734 HE1 MET 99 1HE MET 99 -3.476 1.300 -16.634 735 HE2 MET 99 2HE MET 99 -3.187 0.062 -15.411 736 HE3 MET 99 3HE MET 99 -4.725 0.925 -15.447 737 H LEU 100 H LEU 100 -2.199 -1.341 -9.886 738 HA LEU 100 HA LEU 100 0.223 -0.413 -8.506 739 HB2 LEU 100 1HB LEU 100 -1.585 -2.588 -7.473 740 HB3 LEU 100 2HB LEU 100 -0.143 -1.942 -6.692 741 HG LEU 100 HG LEU 100 -2.446 -0.121 -7.233 742 HD11 LEU 100 1HD1 LEU 100 -3.790 -0.941 -5.632 743 HD12 LEU 100 2HD1 LEU 100 -2.443 -1.443 -4.610 744 HD13 LEU 100 3HD1 LEU 100 -2.950 -2.456 -5.961 745 HD21 LEU 100 1HD2 LEU 100 -0.359 0.810 -6.404 746 HD22 LEU 100 2HD2 LEU 100 -0.379 -0.311 -5.043 747 HD23 LEU 100 3HD2 LEU 100 -1.621 0.934 -5.178 748 H LEU 101 H LEU 101 2.015 -1.519 -9.004 749 HA LEU 101 HA LEU 101 1.732 -3.852 -10.752 750 HB2 LEU 101 1HB LEU 101 3.123 -1.796 -11.353 751 HB3 LEU 101 2HB LEU 101 4.275 -2.372 -10.150 752 HG LEU 101 HG LEU 101 4.522 -4.466 -11.451 753 HD11 LEU 101 1HD1 LEU 101 2.681 -3.037 -13.353 754 HD12 LEU 101 2HD1 LEU 101 2.449 -4.612 -12.597 755 HD13 LEU 101 3HD1 LEU 101 3.700 -4.398 -13.821 756 HD21 LEU 101 1HD2 LEU 101 5.756 -2.112 -11.820 757 HD22 LEU 101 2HD2 LEU 101 5.091 -2.355 -13.436 758 HD23 LEU 101 3HD2 LEU 101 6.157 -3.570 -12.728 759 H VAL 102 H VAL 102 1.591 -5.673 -9.584 760 HA VAL 102 HA VAL 102 3.479 -6.056 -7.358 761 HB VAL 102 HB VAL 102 1.998 -7.753 -6.495 762 HG11 VAL 102 1HG1 VAL 102 1.094 -5.023 -6.998 763 HG12 VAL 102 2HG1 VAL 102 -0.216 -6.146 -6.629 764 HG13 VAL 102 3HG1 VAL 102 1.123 -5.951 -5.498 765 HG21 VAL 102 1HG2 VAL 102 0.578 -8.886 -7.774 766 HG22 VAL 102 2HG2 VAL 102 -0.293 -7.408 -8.181 767 HG23 VAL 102 3HG2 VAL 102 1.090 -7.911 -9.152 768 H ARG 103 H ARG 103 4.429 -8.185 -7.099 769 HA ARG 103 HA ARG 103 5.142 -9.335 -9.688 770 HB2 ARG 103 1HB ARG 103 6.848 -8.605 -7.912 771 HB3 ARG 103 2HB ARG 103 6.368 -10.051 -7.034 772 HG2 ARG 103 1HG ARG 103 7.020 -11.422 -8.963 773 HG3 ARG 103 2HG ARG 103 7.545 -9.962 -9.803 774 HD2 ARG 103 1HD ARG 103 9.188 -9.534 -8.053 775 HD3 ARG 103 2HD ARG 103 8.645 -10.967 -7.181 776 HE ARG 103 HE ARG 103 9.829 -12.281 -8.650 777 HH11 ARG 103 2HH1 ARG 103 9.649 -9.025 -9.869 778 HH12 ARG 103 1HH1 ARG 103 10.800 -9.297 -11.136 779 HH21 ARG 103 2HH2 ARG 103 11.345 -12.651 -10.313 780 HH22 ARG 103 1HH2 ARG 103 11.763 -11.360 -11.388 781 HA PRO 104 HA PRO 104 2.510 -12.828 -9.050 782 HB2 PRO 104 1HB PRO 104 3.578 -14.435 -10.960 783 HB3 PRO 104 2HB PRO 104 2.535 -13.059 -11.336 784 HG2 PRO 104 1HG PRO 104 5.521 -13.248 -11.416 785 HG3 PRO 104 2HG PRO 104 4.417 -12.491 -12.578 786 HD2 PRO 104 1HD PRO 104 5.800 -11.063 -10.740 787 HD3 PRO 104 2HD PRO 104 4.189 -10.581 -11.309 788 H ASN 105 H ASN 105 2.601 -14.425 -7.601 789 HA ASN 105 HA ASN 105 5.232 -15.576 -6.957 790 HB2 ASN 105 1HB ASN 105 2.810 -14.976 -5.296 791 HB3 ASN 105 2HB ASN 105 3.909 -16.258 -4.795 792 HD21 ASN 105 1HD2 ASN 105 5.253 -15.583 -3.305 793 HD22 ASN 105 2HD2 ASN 105 6.004 -14.029 -3.231 794 H ALA 106 H ALA 106 5.083 -17.146 -8.632 795 HA ALA 106 HA ALA 106 2.921 -18.975 -8.840 796 HB1 ALA 106 1HB ALA 106 4.692 -20.338 -10.131 797 HB2 ALA 106 2HB ALA 106 4.181 -18.779 -10.781 798 HB3 ALA 106 3HB ALA 106 5.714 -18.915 -9.919 799 H VAL 107 H VAL 107 2.389 -20.253 -7.182 800 HA VAL 107 HA VAL 107 4.055 -22.371 -6.363 801 HB VAL 107 HB VAL 107 5.228 -20.635 -5.092 802 HG11 VAL 107 1HG1 VAL 107 2.480 -19.915 -4.332 803 HG12 VAL 107 2HG1 VAL 107 3.662 -19.873 -3.022 804 HG13 VAL 107 3HG1 VAL 107 3.921 -18.908 -4.476 805 HG21 VAL 107 1HG2 VAL 107 3.688 -22.202 -3.063 806 HG22 VAL 107 2HG2 VAL 107 4.720 -23.034 -4.227 807 HG23 VAL 107 3HG2 VAL 107 5.414 -21.843 -3.126 808 H TYR 108 H TYR 108 2.966 -23.891 -5.095 809 HA TYR 108 HA TYR 108 0.232 -23.227 -4.269 810 HB2 TYR 108 1HB TYR 108 -0.607 -25.323 -5.274 811 HB3 TYR 108 2HB TYR 108 0.013 -24.208 -6.486 812 HD1 TYR 108 1HD TYR 108 2.617 -24.581 -7.020 813 HD2 TYR 108 2HD TYR 108 -0.031 -27.542 -5.494 814 HE1 TYR 108 1HE TYR 108 4.095 -26.343 -7.891 815 HE2 TYR 108 2HE TYR 108 1.441 -29.312 -6.360 816 HH TYR 108 HH TYR 108 3.149 -29.642 -8.012 817 H ASP 109 H ASP 109 0.072 -23.710 -2.193 818 HA ASP 109 HA ASP 109 0.847 -26.306 -1.211 819 HB2 ASP 109 1HB ASP 109 2.236 -23.815 -0.208 820 HB3 ASP 109 2HB ASP 109 2.263 -25.362 0.634 821 H VAL 110 H VAL 110 -0.146 -26.845 0.739 822 HA VAL 110 HA VAL 110 -2.182 -24.917 1.645 823 HB VAL 110 HB VAL 110 -2.246 -27.936 1.772 824 HG11 VAL 110 1HG1 VAL 110 -4.597 -26.198 2.360 825 HG12 VAL 110 2HG1 VAL 110 -4.238 -27.835 2.913 826 HG13 VAL 110 3HG1 VAL 110 -3.385 -26.460 3.615 827 HG21 VAL 110 1HG2 VAL 110 -2.769 -27.569 -0.413 828 HG22 VAL 110 2HG2 VAL 110 -4.366 -27.314 0.292 829 HG23 VAL 110 3HG2 VAL 110 -3.351 -25.931 -0.116 830 H VAL 111 H VAL 111 -2.300 -24.370 3.753 831 HA VAL 111 HA VAL 111 -0.950 -25.942 5.782 832 HB VAL 111 HB VAL 111 0.845 -24.479 4.912 833 HG11 VAL 111 1HG1 VAL 111 -0.734 -22.614 4.285 834 HG12 VAL 111 2HG1 VAL 111 -0.748 -22.165 5.991 835 HG13 VAL 111 3HG1 VAL 111 0.760 -22.118 5.078 836 HG21 VAL 111 1HG2 VAL 111 0.206 -23.405 7.615 837 HG22 VAL 111 2HG2 VAL 111 0.418 -25.146 7.423 838 HG23 VAL 111 3HG2 VAL 111 1.724 -24.045 6.985 839 H GLU 112 H GLU 112 -1.511 -25.324 7.935 840 HA GLU 112 HA GLU 112 -3.960 -23.693 8.051 841 HB2 GLU 112 1HB GLU 112 -4.112 -26.159 8.619 842 HB3 GLU 112 2HB GLU 112 -3.124 -25.811 10.030 843 HG2 GLU 112 1HG GLU 112 -5.228 -25.719 10.921 844 HG3 GLU 112 2HG GLU 112 -4.951 -24.024 10.525 845 H GLU 113 H GLU 113 -3.775 -21.800 9.031 846 HA GLU 113 HA GLU 113 -1.918 -21.541 11.291 847 HB2 GLU 113 1HB GLU 113 -1.967 -19.962 8.771 848 HB3 GLU 113 2HB GLU 113 -1.663 -19.087 10.265 849 HG2 GLU 113 1HG GLU 113 -0.077 -21.417 9.212 850 HG3 GLU 113 2HG GLU 113 0.415 -19.725 9.206 851 H SER 114 H SER 114 -3.505 -21.476 12.826 852 HA SER 114 HA SER 114 -5.820 -19.779 12.516 853 HB2 SER 114 1HB SER 114 -6.440 -20.585 14.754 854 HB3 SER 114 2HB SER 114 -6.001 -21.929 13.700 855 HG SER 114 HG SER 114 -4.981 -22.213 15.666 856 H GLY 115 H GLY 115 -6.373 -18.050 13.963 857 HA2 GLY 115 1HA GLY 115 -4.145 -16.857 15.449 858 HA3 GLY 115 2HA GLY 115 -4.881 -15.910 14.164 859 HA PRO 116 HA PRO 116 -8.081 -16.483 17.792 860 HB2 PRO 116 1HB PRO 116 -6.926 -16.892 20.214 861 HB3 PRO 116 2HB PRO 116 -7.441 -18.214 19.160 862 HG2 PRO 116 1HG PRO 116 -4.706 -17.064 19.556 863 HG3 PRO 116 2HG PRO 116 -5.198 -18.763 19.430 864 HD2 PRO 116 1HD PRO 116 -4.112 -17.404 17.355 865 HD3 PRO 116 2HD PRO 116 -5.314 -18.690 17.130 866 H SER 117 H SER 117 -5.392 -14.646 17.316 867 HA SER 117 HA SER 117 -5.782 -12.770 19.488 868 HB2 SER 117 1HB SER 117 -3.964 -12.700 17.070 869 HB3 SER 117 2HB SER 117 -3.981 -11.473 18.337 870 HG SER 117 HG SER 117 -2.607 -12.743 19.287 871 H SER 118 H SER 118 -7.477 -11.455 19.421 872 HA SER 118 HA SER 118 -8.355 -10.400 16.821 873 HB2 SER 118 1HB SER 118 -9.941 -11.691 18.432 874 HB3 SER 118 2HB SER 118 -9.965 -10.185 19.350 875 HG SER 118 HG SER 118 -10.633 -10.452 16.602 876 H GLY 119 H GLY 119 -8.245 -9.309 20.222 877 HA2 GLY 119 1HA GLY 119 -6.599 -7.176 20.071 878 HA3 GLY 119 2HA GLY 119 -8.087 -6.546 19.379 Start of MODEL 10 1 H1 GLY 1 H GLY 1 22.513 8.480 -42.169 2 HA2 GLY 1 1HA GLY 1 24.002 10.108 -40.229 3 HA3 GLY 1 2HA GLY 1 23.057 8.747 -39.644 4 H SER 2 H SER 2 23.845 6.697 -39.839 5 HA SER 2 HA SER 2 26.424 6.380 -41.221 6 HB2 SER 2 1HB SER 2 25.710 5.704 -38.392 7 HB3 SER 2 2HB SER 2 26.875 4.693 -39.247 8 HG SER 2 HG SER 2 27.786 6.961 -39.778 9 H SER 3 H SER 3 26.986 3.977 -41.428 10 HA SER 3 HA SER 3 25.234 2.699 -43.082 11 HB2 SER 3 1HB SER 3 27.675 2.104 -42.533 12 HB3 SER 3 2HB SER 3 27.013 1.129 -41.222 13 HG SER 3 HG SER 3 27.050 -0.274 -42.853 14 H GLY 4 H GLY 4 25.534 2.220 -39.572 15 HA2 GLY 4 1HA GLY 4 23.247 2.039 -38.492 16 HA3 GLY 4 2HA GLY 4 22.979 0.742 -39.647 17 H SER 5 H SER 5 22.716 0.346 -36.916 18 HA SER 5 HA SER 5 24.833 -1.623 -36.474 19 HB2 SER 5 1HB SER 5 25.180 0.652 -35.205 20 HB3 SER 5 2HB SER 5 23.930 0.019 -34.135 21 HG SER 5 HG SER 5 26.071 -1.648 -34.809 22 H SER 6 H SER 6 24.244 -3.331 -35.041 23 HA SER 6 HA SER 6 21.429 -3.468 -34.259 24 HB2 SER 6 1HB SER 6 21.058 -5.588 -35.323 25 HB3 SER 6 2HB SER 6 21.697 -4.492 -36.549 26 HG SER 6 HG SER 6 23.654 -5.499 -36.430 27 H GLY 7 H GLY 7 20.998 -4.856 -32.537 28 HA2 GLY 7 1HA GLY 7 23.382 -5.624 -31.014 29 HA3 GLY 7 2HA GLY 7 21.762 -5.425 -30.364 30 H ASN 8 H ASN 8 20.247 -7.105 -30.593 31 HA ASN 8 HA ASN 8 21.372 -9.676 -31.484 32 HB2 ASN 8 1HB ASN 8 20.075 -10.743 -29.612 33 HB3 ASN 8 2HB ASN 8 21.416 -9.730 -29.084 34 HD21 ASN 8 1HD2 ASN 8 18.277 -10.486 -28.527 35 HD22 ASN 8 2HD2 ASN 8 17.772 -9.051 -27.707 36 H GLY 9 H GLY 9 18.347 -7.994 -30.631 37 HA2 GLY 9 1HA GLY 9 17.088 -8.591 -33.085 38 HA3 GLY 9 2HA GLY 9 16.583 -9.767 -31.880 39 H GLY 10 H GLY 10 15.783 -8.799 -29.779 40 HA2 GLY 10 1HA GLY 10 14.740 -6.117 -29.886 41 HA3 GLY 10 2HA GLY 10 13.506 -7.346 -30.120 42 H ILE 11 H ILE 11 14.480 -5.350 -27.890 43 HA ILE 11 HA ILE 11 15.203 -6.729 -25.613 44 HB ILE 11 HB ILE 11 13.351 -4.353 -25.821 45 HG12 ILE 11 1HG1 ILE 11 16.223 -4.250 -24.974 46 HG13 ILE 11 2HG1 ILE 11 15.832 -4.338 -26.688 47 HG21 ILE 11 1HG2 ILE 11 13.189 -4.267 -23.598 48 HG22 ILE 11 2HG2 ILE 11 13.752 -5.938 -23.606 49 HG23 ILE 11 3HG2 ILE 11 14.902 -4.621 -23.377 50 HD11 ILE 11 1HD1 ILE 11 15.913 -2.069 -25.041 51 HD12 ILE 11 2HD1 ILE 11 15.423 -2.170 -26.733 52 HD13 ILE 11 3HD1 ILE 11 14.219 -2.333 -25.455 53 HA PRO 12 HA PRO 12 11.737 -9.381 -24.857 54 HB2 PRO 12 1HB PRO 12 12.464 -10.172 -22.364 55 HB3 PRO 12 2HB PRO 12 13.241 -10.782 -23.830 56 HG2 PRO 12 1HG PRO 12 14.156 -8.636 -21.954 57 HG3 PRO 12 2HG PRO 12 15.096 -9.936 -22.710 58 HD2 PRO 12 1HD PRO 12 15.110 -7.395 -23.645 59 HD3 PRO 12 2HD PRO 12 15.289 -8.804 -24.709 60 H HIS 13 H HIS 13 9.745 -8.976 -24.120 61 HA HIS 13 HA HIS 13 9.298 -6.672 -22.428 62 HB2 HIS 13 1HB HIS 13 7.535 -8.512 -24.011 63 HB3 HIS 13 2HB HIS 13 6.831 -7.455 -22.791 64 HD1 HIS 13 1HD HIS 13 7.600 -7.526 -26.268 65 HD2 HIS 13 2HD HIS 13 7.689 -4.608 -23.313 66 HE1 HIS 13 1HE HIS 13 7.586 -5.329 -27.492 67 HE2 HIS 13 2HE HIS 13 7.727 -3.579 -25.686 68 H ASP 14 H ASP 14 7.923 -6.747 -20.531 69 HA ASP 14 HA ASP 14 8.339 -9.225 -19.003 70 HB2 ASP 14 1HB ASP 14 8.003 -6.360 -18.105 71 HB3 ASP 14 2HB ASP 14 7.996 -7.729 -16.996 72 H ASN 15 H ASN 15 6.667 -10.158 -17.847 73 HA ASN 15 HA ASN 15 3.975 -9.116 -18.441 74 HB2 ASN 15 1HB ASN 15 4.695 -12.027 -18.059 75 HB3 ASN 15 2HB ASN 15 3.155 -11.370 -18.605 76 HD21 ASN 15 1HD2 ASN 15 3.070 -10.368 -20.683 77 HD22 ASN 15 2HD2 ASN 15 4.185 -10.835 -21.918 78 H LEU 16 H LEU 16 3.974 -7.952 -16.463 79 HA LEU 16 HA LEU 16 3.926 -9.602 -14.031 80 HB2 LEU 16 1HB LEU 16 4.455 -6.699 -14.532 81 HB3 LEU 16 2HB LEU 16 3.955 -7.256 -12.936 82 HG LEU 16 HG LEU 16 6.350 -8.423 -14.321 83 HD11 LEU 16 1HD1 LEU 16 6.058 -5.775 -13.047 84 HD12 LEU 16 2HD1 LEU 16 7.192 -6.327 -14.279 85 HD13 LEU 16 3HD1 LEU 16 7.471 -6.724 -12.584 86 HD21 LEU 16 1HD2 LEU 16 6.666 -9.531 -12.411 87 HD22 LEU 16 2HD2 LEU 16 5.006 -9.088 -12.011 88 HD23 LEU 16 3HD2 LEU 16 6.348 -8.101 -11.429 89 H VAL 17 H VAL 17 2.279 -9.136 -12.422 90 HA VAL 17 HA VAL 17 -0.310 -8.756 -13.665 91 HB VAL 17 HB VAL 17 0.418 -9.446 -10.815 92 HG11 VAL 17 1HG1 VAL 17 -2.084 -10.251 -10.951 93 HG12 VAL 17 2HG1 VAL 17 -1.686 -8.582 -10.539 94 HG13 VAL 17 3HG1 VAL 17 -2.189 -8.991 -12.180 95 HG21 VAL 17 1HG2 VAL 17 -0.072 -11.693 -11.350 96 HG22 VAL 17 2HG2 VAL 17 -0.770 -11.252 -12.908 97 HG23 VAL 17 3HG2 VAL 17 0.968 -11.109 -12.649 98 H LEU 18 H LEU 18 -1.723 -7.106 -13.294 99 HA LEU 18 HA LEU 18 -0.760 -4.888 -11.610 100 HB2 LEU 18 1HB LEU 18 -0.555 -4.248 -13.908 101 HB3 LEU 18 2HB LEU 18 -2.193 -4.796 -14.257 102 HG LEU 18 HG LEU 18 -2.868 -2.955 -12.529 103 HD11 LEU 18 1HD1 LEU 18 -1.029 -1.991 -11.655 104 HD12 LEU 18 2HD1 LEU 18 -1.094 -1.025 -13.128 105 HD13 LEU 18 3HD1 LEU 18 -0.016 -2.417 -13.035 106 HD21 LEU 18 1HD2 LEU 18 -3.709 -2.096 -14.391 107 HD22 LEU 18 2HD2 LEU 18 -2.579 -3.056 -15.346 108 HD23 LEU 18 3HD2 LEU 18 -2.129 -1.436 -14.814 109 H ILE 19 H ILE 19 -2.101 -4.211 -10.064 110 HA ILE 19 HA ILE 19 -4.757 -5.407 -9.911 111 HB ILE 19 HB ILE 19 -3.293 -3.739 -7.863 112 HG12 ILE 19 1HG1 ILE 19 -2.202 -5.925 -8.432 113 HG13 ILE 19 2HG1 ILE 19 -2.735 -5.802 -6.759 114 HG21 ILE 19 1HG2 ILE 19 -5.299 -5.513 -6.823 115 HG22 ILE 19 2HG2 ILE 19 -5.148 -3.766 -6.643 116 HG23 ILE 19 3HG2 ILE 19 -5.998 -4.439 -8.034 117 HD11 ILE 19 1HD1 ILE 19 -4.739 -6.959 -8.526 118 HD12 ILE 19 2HD1 ILE 19 -3.240 -7.886 -8.447 119 HD13 ILE 19 3HD1 ILE 19 -4.131 -7.522 -6.969 120 H ARG 20 H ARG 20 -6.486 -4.346 -10.595 121 HA ARG 20 HA ARG 20 -6.419 -1.399 -10.599 122 HB2 ARG 20 1HB ARG 20 -7.425 -3.367 -12.600 123 HB3 ARG 20 2HB ARG 20 -8.300 -1.852 -12.423 124 HG2 ARG 20 1HG ARG 20 -6.360 -0.582 -12.990 125 HG3 ARG 20 2HG ARG 20 -5.344 -2.024 -12.950 126 HD2 ARG 20 1HD ARG 20 -5.713 -1.747 -15.215 127 HD3 ARG 20 2HD ARG 20 -6.965 -2.907 -14.772 128 HE ARG 20 HE ARG 20 -7.982 -0.289 -14.559 129 HH11 ARG 20 2HH1 ARG 20 -6.997 -2.623 -16.947 130 HH12 ARG 20 1HH1 ARG 20 -8.066 -2.019 -18.168 131 HH21 ARG 20 2HH2 ARG 20 -9.395 0.516 -16.158 132 HH22 ARG 20 1HH2 ARG 20 -9.429 -0.233 -17.719 133 H MET 21 H MET 21 -7.993 -0.346 -9.543 134 HA MET 21 HA MET 21 -10.583 -1.448 -9.078 135 HB2 MET 21 1HB MET 21 -10.509 -1.759 -6.719 136 HB3 MET 21 2HB MET 21 -9.156 -2.660 -7.389 137 HG2 MET 21 1HG MET 21 -8.707 0.129 -6.459 138 HG3 MET 21 2HG MET 21 -8.868 -1.159 -5.267 139 HE1 MET 21 1HE MET 21 -6.683 -3.453 -5.383 140 HE2 MET 21 2HE MET 21 -5.572 -2.236 -4.755 141 HE3 MET 21 3HE MET 21 -7.286 -2.163 -4.341 142 H LYS 22 H LYS 22 -11.982 0.030 -7.885 143 HA LYS 22 HA LYS 22 -10.983 2.799 -8.016 144 HB2 LYS 22 1HB LYS 22 -13.285 3.487 -8.461 145 HB3 LYS 22 2HB LYS 22 -12.742 2.315 -9.655 146 HG2 LYS 22 1HG LYS 22 -14.178 0.702 -8.934 147 HG3 LYS 22 2HG LYS 22 -14.191 1.299 -7.273 148 HD2 LYS 22 1HD LYS 22 -15.441 2.825 -9.543 149 HD3 LYS 22 2HD LYS 22 -16.327 1.607 -8.621 150 HE2 LYS 22 1HE LYS 22 -15.718 2.886 -6.547 151 HE3 LYS 22 2HE LYS 22 -15.090 4.157 -7.595 152 HZ1 LYS 22 1HZ LYS 22 -17.129 4.917 -7.947 153 HZ2 LYS 22 2HZ LYS 22 -17.680 3.873 -6.736 154 HZ3 LYS 22 3HZ LYS 22 -17.722 3.386 -8.356 155 HA PRO 23 HA PRO 23 -11.679 3.190 -3.687 156 HB2 PRO 23 1HB PRO 23 -11.995 5.882 -3.536 157 HB3 PRO 23 2HB PRO 23 -10.427 5.113 -3.810 158 HG2 PRO 23 1HG PRO 23 -12.298 6.360 -5.788 159 HG3 PRO 23 2HG PRO 23 -10.533 6.496 -5.677 160 HD2 PRO 23 1HD PRO 23 -11.760 4.843 -7.437 161 HD3 PRO 23 2HD PRO 23 -10.186 4.463 -6.708 162 H ASP 24 H ASP 24 -13.466 2.708 -2.594 163 HA ASP 24 HA ASP 24 -16.066 2.997 -3.565 164 HB2 ASP 24 1HB ASP 24 -16.807 2.161 -1.488 165 HB3 ASP 24 2HB ASP 24 -15.210 1.452 -1.710 166 H GLU 25 H GLU 25 -17.784 4.109 -1.982 167 HA GLU 25 HA GLU 25 -18.012 6.710 -2.516 168 HB2 GLU 25 1HB GLU 25 -18.773 5.250 0.000 169 HB3 GLU 25 2HB GLU 25 -19.157 6.952 -0.213 170 HG2 GLU 25 1HG GLU 25 -21.081 6.038 -0.986 171 HG3 GLU 25 2HG GLU 25 -20.162 6.079 -2.490 172 H ASN 26 H ASN 26 -16.586 5.664 0.586 173 HA ASN 26 HA ASN 26 -15.483 8.266 1.077 174 HB2 ASN 26 1HB ASN 26 -15.249 5.610 2.485 175 HB3 ASN 26 2HB ASN 26 -14.345 7.028 3.010 176 HD21 ASN 26 1HD2 ASN 26 -17.663 6.215 2.039 177 HD22 ASN 26 2HD2 ASN 26 -18.429 7.074 3.328 178 H GLY 27 H GLY 27 -14.373 5.306 -0.364 179 HA2 GLY 27 1HA GLY 27 -12.502 5.029 -1.721 180 HA3 GLY 27 2HA GLY 27 -11.948 6.625 -1.237 181 H ARG 28 H ARG 28 -12.783 3.850 0.803 182 HA ARG 28 HA ARG 28 -10.071 3.985 1.929 183 HB2 ARG 28 1HB ARG 28 -12.695 3.029 3.057 184 HB3 ARG 28 2HB ARG 28 -11.158 2.628 3.812 185 HG2 ARG 28 1HG ARG 28 -10.778 4.776 4.504 186 HG3 ARG 28 2HG ARG 28 -11.757 5.480 3.216 187 HD2 ARG 28 1HD ARG 28 -13.768 4.957 4.314 188 HD3 ARG 28 2HD ARG 28 -12.971 3.831 5.412 189 HE ARG 28 HE ARG 28 -11.978 6.481 5.720 190 HH11 ARG 28 2HH1 ARG 28 -14.643 4.389 6.522 191 HH12 ARG 28 1HH1 ARG 28 -15.063 5.259 7.960 192 HH21 ARG 28 2HH2 ARG 28 -12.522 7.636 7.611 193 HH22 ARG 28 1HH2 ARG 28 -13.857 7.107 8.578 194 H PHE 29 H PHE 29 -9.118 2.717 0.272 195 HA PHE 29 HA PHE 29 -9.961 0.245 -0.640 196 HB2 PHE 29 1HB PHE 29 -7.064 0.932 -0.157 197 HB3 PHE 29 2HB PHE 29 -7.734 -0.114 -1.404 198 HD1 PHE 29 2HD PHE 29 -7.296 3.370 -0.323 199 HD2 PHE 29 1HD PHE 29 -8.598 0.777 -3.437 200 HE1 PHE 29 2HE PHE 29 -7.369 5.277 -1.875 201 HE2 PHE 29 1HE PHE 29 -8.671 2.680 -4.995 202 HZ PHE 29 HZ PHE 29 -8.057 4.934 -4.215 203 H GLY 30 H GLY 30 -10.204 -1.684 0.275 204 HA2 GLY 30 1HA GLY 30 -9.390 -2.079 3.022 205 HA3 GLY 30 2HA GLY 30 -10.335 -3.190 2.041 206 H PHE 31 H PHE 31 -7.037 -1.895 2.358 207 HA PHE 31 HA PHE 31 -5.929 -4.543 2.297 208 HB2 PHE 31 1HB PHE 31 -4.836 -4.531 0.252 209 HB3 PHE 31 2HB PHE 31 -6.362 -3.757 -0.162 210 HD1 PHE 31 1HD PHE 31 -2.825 -3.079 0.696 211 HD2 PHE 31 2HD PHE 31 -6.412 -1.592 -1.049 212 HE1 PHE 31 1HE PHE 31 -1.595 -1.129 -0.165 213 HE2 PHE 31 2HE PHE 31 -5.187 0.359 -1.913 214 HZ PHE 31 HZ PHE 31 -2.775 0.592 -1.472 215 H ASN 32 H ASN 32 -4.232 -4.551 3.613 216 HA ASN 32 HA ASN 32 -2.887 -1.993 4.166 217 HB2 ASN 32 1HB ASN 32 -4.097 -3.249 6.040 218 HB3 ASN 32 2HB ASN 32 -2.804 -4.439 5.928 219 HD21 ASN 32 1HD2 ASN 32 -0.807 -3.965 6.727 220 HD22 ASN 32 2HD2 ASN 32 -0.457 -2.532 7.627 221 H VAL 33 H VAL 33 -0.618 -1.932 4.358 222 HA VAL 33 HA VAL 33 0.777 -4.218 3.121 223 HB VAL 33 HB VAL 33 2.345 -2.649 2.096 224 HG11 VAL 33 1HG1 VAL 33 0.558 -1.420 0.622 225 HG12 VAL 33 2HG1 VAL 33 0.717 -3.177 0.563 226 HG13 VAL 33 3HG1 VAL 33 -0.571 -2.439 1.515 227 HG21 VAL 33 1HG2 VAL 33 0.578 -0.352 2.826 228 HG22 VAL 33 2HG2 VAL 33 1.829 -0.889 3.947 229 HG23 VAL 33 3HG2 VAL 33 2.270 -0.352 2.326 230 H LYS 34 H LYS 34 3.087 -4.368 3.666 231 HA LYS 34 HA LYS 34 3.916 -3.044 6.122 232 HB2 LYS 34 1HB LYS 34 4.536 -5.245 7.156 233 HB3 LYS 34 2HB LYS 34 2.806 -4.950 7.046 234 HG2 LYS 34 1HG LYS 34 2.561 -6.465 5.256 235 HG3 LYS 34 2HG LYS 34 4.305 -6.560 5.000 236 HD2 LYS 34 1HD LYS 34 4.410 -7.487 7.388 237 HD3 LYS 34 2HD LYS 34 2.667 -7.718 7.236 238 HE2 LYS 34 1HE LYS 34 3.104 -9.037 5.160 239 HE3 LYS 34 2HE LYS 34 4.827 -8.922 5.513 240 HZ1 LYS 34 1HZ LYS 34 4.565 -10.183 7.465 241 HZ2 LYS 34 2HZ LYS 34 3.679 -11.003 6.282 242 HZ3 LYS 34 3HZ LYS 34 2.878 -10.057 7.433 243 H GLY 35 H GLY 35 6.168 -3.138 6.506 244 HA2 GLY 35 1HA GLY 35 8.375 -3.900 5.966 245 HA3 GLY 35 2HA GLY 35 7.783 -4.378 4.382 246 H GLY 36 H GLY 36 9.557 -3.232 3.447 247 HA2 GLY 36 1HA GLY 36 9.514 -1.187 2.016 248 HA3 GLY 36 2HA GLY 36 9.188 -0.299 3.497 249 H TYR 37 H TYR 37 11.321 0.289 1.772 250 HA TYR 37 HA TYR 37 13.775 -0.796 2.222 251 HB2 TYR 37 1HB TYR 37 13.337 1.131 0.730 252 HB3 TYR 37 2HB TYR 37 13.185 2.171 2.142 253 HD1 TYR 37 1HD TYR 37 15.210 2.457 3.646 254 HD2 TYR 37 2HD TYR 37 15.442 0.677 -0.212 255 HE1 TYR 37 1HE TYR 37 17.635 2.867 3.609 256 HE2 TYR 37 2HE TYR 37 17.868 1.081 -0.259 257 HH TYR 37 HH TYR 37 19.418 3.168 1.554 258 H ASP 38 H ASP 38 11.891 1.153 4.430 259 HA ASP 38 HA ASP 38 13.852 1.843 6.287 260 HB2 ASP 38 1HB ASP 38 11.565 2.749 6.329 261 HB3 ASP 38 2HB ASP 38 10.948 1.170 6.808 262 H GLN 39 H GLN 39 11.882 -1.090 6.039 263 HA GLN 39 HA GLN 39 13.423 -2.286 8.229 264 HB2 GLN 39 1HB GLN 39 10.789 -2.972 6.952 265 HB3 GLN 39 2HB GLN 39 11.646 -4.137 7.952 266 HG2 GLN 39 1HG GLN 39 10.961 -1.385 8.928 267 HG3 GLN 39 2HG GLN 39 9.853 -2.747 9.075 268 HE21 GLN 39 1HE2 GLN 39 10.927 -1.283 11.232 269 HE22 GLN 39 2HE2 GLN 39 11.911 -2.352 12.166 270 H LYS 40 H LYS 40 14.488 -1.871 5.528 271 HA LYS 40 HA LYS 40 15.436 -3.017 3.766 272 HB2 LYS 40 1HB LYS 40 16.237 -4.541 6.239 273 HB3 LYS 40 2HB LYS 40 16.912 -4.906 4.656 274 HG2 LYS 40 1HG LYS 40 18.437 -3.479 5.793 275 HG3 LYS 40 2HG LYS 40 17.671 -2.535 4.513 276 HD2 LYS 40 1HD LYS 40 16.497 -1.235 5.986 277 HD3 LYS 40 2HD LYS 40 16.429 -2.500 7.216 278 HE2 LYS 40 1HE LYS 40 18.923 -0.982 6.462 279 HE3 LYS 40 2HE LYS 40 17.881 -0.572 7.823 280 HZ1 LYS 40 1HZ LYS 40 18.622 -2.308 9.031 281 HZ2 LYS 40 2HZ LYS 40 19.987 -2.154 8.045 282 HZ3 LYS 40 3HZ LYS 40 18.817 -3.324 7.692 283 H MET 41 H MET 41 12.679 -3.797 4.257 284 HA MET 41 HA MET 41 12.801 -6.498 3.103 285 HB2 MET 41 1HB MET 41 11.123 -7.335 4.465 286 HB3 MET 41 2HB MET 41 12.030 -6.327 5.585 287 HG2 MET 41 1HG MET 41 10.407 -4.588 5.451 288 HG3 MET 41 2HG MET 41 9.566 -5.404 4.135 289 HE1 MET 41 1HE MET 41 7.026 -7.425 5.640 290 HE2 MET 41 2HE MET 41 7.843 -6.728 4.241 291 HE3 MET 41 3HE MET 41 8.401 -8.260 4.917 292 HA PRO 42 HA PRO 42 10.205 -4.941 -0.077 293 HB2 PRO 42 1HB PRO 42 8.796 -7.166 -0.736 294 HB3 PRO 42 2HB PRO 42 10.504 -6.956 -1.140 295 HG2 PRO 42 1HG PRO 42 9.266 -8.480 1.119 296 HG3 PRO 42 2HG PRO 42 10.614 -8.942 0.064 297 HD2 PRO 42 1HD PRO 42 10.988 -7.975 2.565 298 HD3 PRO 42 2HD PRO 42 12.137 -7.678 1.245 299 H VAL 43 H VAL 43 8.110 -4.232 -0.530 300 HA VAL 43 HA VAL 43 6.343 -4.131 1.765 301 HB VAL 43 HB VAL 43 5.949 -2.870 -0.950 302 HG11 VAL 43 1HG1 VAL 43 4.187 -1.719 -0.081 303 HG12 VAL 43 2HG1 VAL 43 4.071 -3.180 0.903 304 HG13 VAL 43 3HG1 VAL 43 4.842 -1.733 1.557 305 HG21 VAL 43 1HG2 VAL 43 6.696 -0.950 0.980 306 HG22 VAL 43 2HG2 VAL 43 7.868 -2.264 1.076 307 HG23 VAL 43 3HG2 VAL 43 7.583 -1.447 -0.461 308 H ILE 44 H ILE 44 5.165 -5.935 2.051 309 HA ILE 44 HA ILE 44 3.652 -6.956 -0.265 310 HB ILE 44 HB ILE 44 4.728 -8.451 2.123 311 HG12 ILE 44 1HG1 ILE 44 5.509 -9.888 0.026 312 HG13 ILE 44 2HG1 ILE 44 5.334 -8.341 -0.796 313 HG21 ILE 44 1HG2 ILE 44 3.579 -10.343 0.523 314 HG22 ILE 44 2HG2 ILE 44 2.866 -9.687 1.995 315 HG23 ILE 44 3HG2 ILE 44 2.417 -9.020 0.426 316 HD11 ILE 44 1HD1 ILE 44 6.875 -7.333 0.829 317 HD12 ILE 44 2HD1 ILE 44 7.086 -8.915 1.581 318 HD13 ILE 44 3HD1 ILE 44 7.611 -8.651 -0.082 319 H VAL 45 H VAL 45 1.480 -7.254 -0.062 320 HA VAL 45 HA VAL 45 -0.012 -5.722 1.669 321 HB VAL 45 HB VAL 45 -0.833 -8.289 0.304 322 HG11 VAL 45 1HG1 VAL 45 -2.638 -8.137 1.628 323 HG12 VAL 45 2HG1 VAL 45 -2.285 -6.469 2.086 324 HG13 VAL 45 3HG1 VAL 45 -3.105 -6.812 0.562 325 HG21 VAL 45 1HG2 VAL 45 -0.055 -5.970 -0.862 326 HG22 VAL 45 2HG2 VAL 45 -1.214 -7.096 -1.568 327 HG23 VAL 45 3HG2 VAL 45 -1.786 -5.686 -0.677 328 H SER 46 H SER 46 -0.035 -5.796 3.815 329 HA SER 46 HA SER 46 0.705 -8.005 5.376 330 HB2 SER 46 1HB SER 46 0.583 -5.506 6.024 331 HB3 SER 46 2HB SER 46 -1.113 -5.827 6.385 332 HG SER 46 HG SER 46 -0.328 -6.424 8.247 333 H ARG 47 H ARG 47 -2.550 -6.565 5.099 334 HA ARG 47 HA ARG 47 -3.716 -9.237 5.064 335 HB2 ARG 47 1HB ARG 47 -3.514 -8.375 7.472 336 HB3 ARG 47 2HB ARG 47 -4.744 -7.200 7.028 337 HG2 ARG 47 1HG ARG 47 -6.397 -8.765 6.902 338 HG3 ARG 47 2HG ARG 47 -5.284 -10.066 6.473 339 HD2 ARG 47 1HD ARG 47 -5.786 -10.658 8.625 340 HD3 ARG 47 2HD ARG 47 -4.374 -9.638 8.904 341 HE ARG 47 HE ARG 47 -6.738 -8.089 8.988 342 HH11 ARG 47 2HH1 ARG 47 -4.938 -10.437 10.824 343 HH12 ARG 47 1HH1 ARG 47 -5.530 -9.885 12.356 344 HH21 ARG 47 2HH2 ARG 47 -7.524 -7.353 10.999 345 HH22 ARG 47 1HH2 ARG 47 -7.002 -8.132 12.454 346 H VAL 48 H VAL 48 -6.134 -9.105 4.718 347 HA VAL 48 HA VAL 48 -6.963 -6.664 3.330 348 HB VAL 48 HB VAL 48 -7.223 -9.405 2.087 349 HG11 VAL 48 1HG1 VAL 48 -9.034 -7.737 1.612 350 HG12 VAL 48 2HG1 VAL 48 -7.804 -6.709 0.875 351 HG13 VAL 48 3HG1 VAL 48 -8.152 -8.298 0.192 352 HG21 VAL 48 1HG2 VAL 48 -4.890 -8.445 2.147 353 HG22 VAL 48 2HG2 VAL 48 -5.530 -8.799 0.542 354 HG23 VAL 48 3HG2 VAL 48 -5.492 -7.136 1.130 355 H ALA 49 H ALA 49 -9.014 -6.123 3.748 356 HA ALA 49 HA ALA 49 -10.608 -7.919 5.391 357 HB1 ALA 49 1HB ALA 49 -10.436 -5.043 4.987 358 HB2 ALA 49 2HB ALA 49 -12.098 -5.632 5.044 359 HB3 ALA 49 3HB ALA 49 -11.000 -5.960 6.384 360 HA PRO 50 HA PRO 50 -13.244 -9.290 2.145 361 HB2 PRO 50 1HB PRO 50 -15.473 -9.857 3.588 362 HB3 PRO 50 2HB PRO 50 -14.017 -10.859 3.635 363 HG2 PRO 50 1HG PRO 50 -14.938 -8.765 5.566 364 HG3 PRO 50 2HG PRO 50 -14.239 -10.361 5.895 365 HD2 PRO 50 1HD PRO 50 -12.788 -8.079 6.034 366 HD3 PRO 50 2HD PRO 50 -12.082 -9.630 5.537 367 H GLY 51 H GLY 51 -15.218 -8.778 1.011 368 HA2 GLY 51 1HA GLY 51 -16.708 -7.299 0.085 369 HA3 GLY 51 2HA GLY 51 -17.037 -6.788 1.734 370 H THR 52 H THR 52 -13.916 -6.526 0.139 371 HA THR 52 HA THR 52 -14.170 -3.596 0.307 372 HB THR 52 HB THR 52 -11.712 -3.516 0.440 373 HG1 THR 52 1HG THR 52 -10.749 -5.696 0.951 374 HG21 THR 52 1HG2 THR 52 -13.225 -5.144 2.459 375 HG22 THR 52 2HG2 THR 52 -12.713 -3.459 2.553 376 HG23 THR 52 3HG2 THR 52 -11.522 -4.752 2.694 377 HA PRO 53 HA PRO 53 -13.707 -3.233 -4.047 378 HB2 PRO 53 1HB PRO 53 -12.429 -0.844 -4.218 379 HB3 PRO 53 2HB PRO 53 -14.134 -0.992 -3.776 380 HG2 PRO 53 1HG PRO 53 -11.745 -0.616 -2.011 381 HG3 PRO 53 2HG PRO 53 -13.334 0.166 -1.924 382 HD2 PRO 53 1HD PRO 53 -12.640 -1.902 -0.320 383 HD3 PRO 53 2HD PRO 53 -14.307 -1.640 -0.873 384 H ALA 54 H ALA 54 -11.170 -3.900 -2.040 385 HA ALA 54 HA ALA 54 -9.154 -3.755 -4.174 386 HB1 ALA 54 1HB ALA 54 -8.171 -2.754 -2.362 387 HB2 ALA 54 2HB ALA 54 -8.998 -3.792 -1.200 388 HB3 ALA 54 3HB ALA 54 -7.642 -4.422 -2.136 389 H ASP 55 H ASP 55 -11.125 -5.926 -2.402 390 HA ASP 55 HA ASP 55 -9.487 -8.234 -3.160 391 HB2 ASP 55 1HB ASP 55 -10.604 -7.825 -0.810 392 HB3 ASP 55 2HB ASP 55 -12.033 -8.480 -1.607 393 H LEU 56 H LEU 56 -12.779 -6.959 -3.501 394 HA LEU 56 HA LEU 56 -13.834 -9.026 -5.060 395 HB2 LEU 56 1HB LEU 56 -14.550 -6.111 -5.285 396 HB3 LEU 56 2HB LEU 56 -15.565 -7.496 -5.682 397 HG LEU 56 HG LEU 56 -14.618 -7.181 -2.874 398 HD11 LEU 56 1HD1 LEU 56 -17.127 -5.809 -3.708 399 HD12 LEU 56 2HD1 LEU 56 -15.587 -4.970 -3.892 400 HD13 LEU 56 3HD1 LEU 56 -16.101 -5.530 -2.301 401 HD21 LEU 56 1HD2 LEU 56 -15.854 -9.081 -2.985 402 HD22 LEU 56 2HD2 LEU 56 -16.807 -8.517 -4.358 403 HD23 LEU 56 3HD2 LEU 56 -17.170 -7.934 -2.733 404 H CYS 57 H CYS 57 -11.793 -6.324 -5.901 405 HA CYS 57 HA CYS 57 -12.189 -6.472 -8.717 406 HB2 CYS 57 1HB CYS 57 -10.122 -5.075 -8.825 407 HB3 CYS 57 2HB CYS 57 -11.359 -4.424 -7.757 408 HG CYS 57 HG CYS 57 -8.409 -5.897 -6.889 409 H VAL 58 H VAL 58 -11.143 -7.624 -10.250 410 HA VAL 58 HA VAL 58 -9.349 -9.739 -9.313 411 HB VAL 58 HB VAL 58 -11.205 -10.538 -10.614 412 HG11 VAL 58 1HG1 VAL 58 -11.824 -8.571 -11.827 413 HG12 VAL 58 2HG1 VAL 58 -10.293 -8.568 -12.704 414 HG13 VAL 58 3HG1 VAL 58 -11.475 -9.844 -12.996 415 HG21 VAL 58 1HG2 VAL 58 -9.370 -11.891 -11.031 416 HG22 VAL 58 2HG2 VAL 58 -9.896 -11.454 -12.656 417 HG23 VAL 58 3HG2 VAL 58 -8.517 -10.634 -11.926 418 HA PRO 59 HA PRO 59 -7.857 -11.124 -9.974 419 HB2 PRO 59 1HB PRO 59 -5.348 -11.210 -8.940 420 HB3 PRO 59 2HB PRO 59 -5.706 -11.602 -10.626 421 HG2 PRO 59 1HG PRO 59 -4.646 -9.058 -9.456 422 HG3 PRO 59 2HG PRO 59 -4.140 -9.909 -10.927 423 HD2 PRO 59 1HD PRO 59 -5.767 -7.746 -10.983 424 HD3 PRO 59 2HD PRO 59 -5.885 -9.060 -12.170 425 H ARG 60 H ARG 60 -8.523 -11.619 -7.960 426 HA ARG 60 HA ARG 60 -9.059 -9.673 -6.055 427 HB2 ARG 60 1HB ARG 60 -10.276 -11.732 -6.014 428 HB3 ARG 60 2HB ARG 60 -8.803 -12.667 -5.789 429 HG2 ARG 60 1HG ARG 60 -8.575 -11.318 -3.591 430 HG3 ARG 60 2HG ARG 60 -10.293 -10.986 -3.822 431 HD2 ARG 60 1HD ARG 60 -10.894 -13.193 -3.546 432 HD3 ARG 60 2HD ARG 60 -9.309 -13.793 -4.033 433 HE ARG 60 HE ARG 60 -9.199 -12.322 -1.591 434 HH11 ARG 60 2HH1 ARG 60 -9.990 -15.418 -2.971 435 HH12 ARG 60 1HH1 ARG 60 -9.682 -16.295 -1.508 436 HH21 ARG 60 2HH2 ARG 60 -8.791 -13.465 0.341 437 HH22 ARG 60 1HH2 ARG 60 -9.001 -15.183 0.375 438 H LEU 61 H LEU 61 -7.693 -8.511 -4.884 439 HA LEU 61 HA LEU 61 -4.966 -9.141 -4.537 440 HB2 LEU 61 1HB LEU 61 -6.195 -6.868 -4.419 441 HB3 LEU 61 2HB LEU 61 -6.462 -7.282 -2.727 442 HG LEU 61 HG LEU 61 -3.937 -7.523 -2.545 443 HD11 LEU 61 1HD1 LEU 61 -4.192 -6.357 -5.288 444 HD12 LEU 61 2HD1 LEU 61 -3.149 -7.660 -4.718 445 HD13 LEU 61 3HD1 LEU 61 -2.792 -5.990 -4.280 446 HD21 LEU 61 1HD2 LEU 61 -5.586 -5.430 -2.099 447 HD22 LEU 61 2HD2 LEU 61 -4.445 -4.706 -3.232 448 HD23 LEU 61 3HD2 LEU 61 -3.861 -5.425 -1.731 449 H ASN 62 H ASN 62 -4.498 -11.014 -3.511 450 HA ASN 62 HA ASN 62 -5.647 -11.424 -0.830 451 HB2 ASN 62 1HB ASN 62 -5.005 -13.814 -1.132 452 HB3 ASN 62 2HB ASN 62 -6.184 -13.255 -2.315 453 HD21 ASN 62 1HD2 ASN 62 -5.137 -15.387 -3.156 454 HD22 ASN 62 2HD2 ASN 62 -3.850 -15.157 -4.286 455 H GLU 63 H GLU 63 -4.289 -12.017 0.885 456 HA GLU 63 HA GLU 63 -1.980 -10.684 1.288 457 HB2 GLU 63 1HB GLU 63 -2.618 -13.451 2.325 458 HB3 GLU 63 2HB GLU 63 -1.374 -12.396 2.981 459 HG2 GLU 63 1HG GLU 63 -2.924 -10.901 3.853 460 HG3 GLU 63 2HG GLU 63 -4.220 -11.492 2.815 461 H GLY 64 H GLY 64 0.205 -10.955 0.968 462 HA2 GLY 64 1HA GLY 64 2.099 -12.334 0.367 463 HA3 GLY 64 2HA GLY 64 1.029 -13.263 -0.672 464 H ASP 65 H ASP 65 -0.275 -11.199 -2.011 465 HA ASP 65 HA ASP 65 1.327 -10.718 -4.176 466 HB2 ASP 65 1HB ASP 65 -0.247 -8.573 -4.385 467 HB3 ASP 65 2HB ASP 65 -0.849 -10.206 -4.660 468 H GLN 66 H GLN 66 3.362 -9.963 -3.912 469 HA GLN 66 HA GLN 66 3.987 -7.781 -2.163 470 HB2 GLN 66 1HB GLN 66 5.641 -9.503 -2.536 471 HB3 GLN 66 2HB GLN 66 5.620 -9.203 -4.269 472 HG2 GLN 66 1HG GLN 66 6.331 -6.792 -3.558 473 HG3 GLN 66 2HG GLN 66 6.849 -7.602 -2.081 474 HE21 GLN 66 1HE2 GLN 66 8.984 -6.909 -2.702 475 HE22 GLN 66 2HE2 GLN 66 9.888 -7.841 -3.842 476 H VAL 67 H VAL 67 4.414 -5.671 -2.655 477 HA VAL 67 HA VAL 67 3.417 -4.738 -5.233 478 HB VAL 67 HB VAL 67 4.213 -3.143 -2.794 479 HG11 VAL 67 1HG1 VAL 67 2.358 -1.985 -4.743 480 HG12 VAL 67 2HG1 VAL 67 3.735 -1.258 -3.913 481 HG13 VAL 67 3HG1 VAL 67 3.991 -2.241 -5.355 482 HG21 VAL 67 1HG2 VAL 67 1.750 -2.873 -2.506 483 HG22 VAL 67 2HG2 VAL 67 1.519 -4.092 -3.759 484 HG23 VAL 67 3HG2 VAL 67 2.328 -4.520 -2.251 485 H VAL 68 H VAL 68 4.644 -3.828 -6.781 486 HA VAL 68 HA VAL 68 7.531 -3.589 -6.245 487 HB VAL 68 HB VAL 68 6.172 -3.986 -8.914 488 HG11 VAL 68 1HG1 VAL 68 9.063 -4.492 -8.440 489 HG12 VAL 68 2HG1 VAL 68 8.230 -3.971 -9.907 490 HG13 VAL 68 3HG1 VAL 68 8.523 -2.821 -8.601 491 HG21 VAL 68 1HG2 VAL 68 6.945 -5.866 -6.840 492 HG22 VAL 68 2HG2 VAL 68 5.966 -6.118 -8.285 493 HG23 VAL 68 3HG2 VAL 68 7.725 -6.210 -8.385 494 H LEU 69 H LEU 69 4.767 -2.046 -7.811 495 HA LEU 69 HA LEU 69 6.007 0.547 -7.447 496 HB2 LEU 69 1HB LEU 69 5.293 -0.533 -10.166 497 HB3 LEU 69 2HB LEU 69 5.544 1.180 -9.832 498 HG LEU 69 HG LEU 69 7.635 -0.967 -9.479 499 HD11 LEU 69 1HD1 LEU 69 7.876 1.106 -11.571 500 HD12 LEU 69 2HD1 LEU 69 6.715 -0.189 -11.864 501 HD13 LEU 69 3HD1 LEU 69 8.410 -0.575 -11.567 502 HD21 LEU 69 1HD2 LEU 69 9.174 0.900 -9.241 503 HD22 LEU 69 2HD2 LEU 69 7.916 0.973 -8.008 504 HD23 LEU 69 3HD2 LEU 69 7.841 2.042 -9.409 505 H ILE 70 H ILE 70 4.534 2.260 -7.462 506 HA ILE 70 HA ILE 70 1.705 1.433 -7.481 507 HB ILE 70 HB ILE 70 2.976 3.683 -5.917 508 HG12 ILE 70 1HG1 ILE 70 1.755 1.128 -4.867 509 HG13 ILE 70 2HG1 ILE 70 3.481 1.319 -5.160 510 HG21 ILE 70 1HG2 ILE 70 0.506 3.802 -6.776 511 HG22 ILE 70 2HG2 ILE 70 0.210 2.675 -5.453 512 HG23 ILE 70 3HG2 ILE 70 0.901 4.264 -5.121 513 HD11 ILE 70 1HD1 ILE 70 1.974 3.193 -3.376 514 HD12 ILE 70 2HD1 ILE 70 2.633 1.666 -2.788 515 HD13 ILE 70 3HD1 ILE 70 3.710 2.893 -3.454 516 H ASN 71 H ASN 71 0.599 2.179 -9.155 517 HA ASN 71 HA ASN 71 -0.051 3.447 -10.933 518 HB2 ASN 71 1HB ASN 71 0.513 5.392 -8.751 519 HB3 ASN 71 2HB ASN 71 0.247 6.041 -10.367 520 HD21 ASN 71 1HD2 ASN 71 -1.161 4.370 -7.678 521 HD22 ASN 71 2HD2 ASN 71 -2.805 4.502 -8.193 522 H GLY 72 H GLY 72 2.666 2.499 -10.972 523 HA2 GLY 72 1HA GLY 72 4.460 2.697 -12.402 524 HA3 GLY 72 2HA GLY 72 3.648 4.070 -13.140 525 H ARG 73 H ARG 73 4.700 3.638 -9.781 526 HA ARG 73 HA ARG 73 6.716 5.731 -10.180 527 HB2 ARG 73 1HB ARG 73 4.418 6.526 -9.203 528 HB3 ARG 73 2HB ARG 73 5.009 5.787 -7.720 529 HG2 ARG 73 1HG ARG 73 6.867 7.259 -7.625 530 HG3 ARG 73 2HG ARG 73 6.552 7.860 -9.255 531 HD2 ARG 73 1HD ARG 73 4.233 8.518 -8.223 532 HD3 ARG 73 2HD ARG 73 5.122 8.438 -6.702 533 HE ARG 73 HE ARG 73 5.305 10.477 -8.689 534 HH11 ARG 73 2HH1 ARG 73 7.105 8.771 -6.245 535 HH12 ARG 73 1HH1 ARG 73 8.223 10.067 -5.979 536 HH21 ARG 73 2HH2 ARG 73 6.771 12.191 -8.347 537 HH22 ARG 73 1HH2 ARG 73 8.032 12.012 -7.175 538 H ASP 74 H ASP 74 8.551 5.493 -8.989 539 HA ASP 74 HA ASP 74 9.017 2.942 -7.783 540 HB2 ASP 74 1HB ASP 74 10.691 4.382 -9.092 541 HB3 ASP 74 2HB ASP 74 10.866 5.313 -7.607 542 H ILE 75 H ILE 75 7.996 2.576 -5.895 543 HA ILE 75 HA ILE 75 8.179 4.621 -3.790 544 HB ILE 75 HB ILE 75 6.343 3.531 -2.684 545 HG12 ILE 75 1HG1 ILE 75 5.246 1.598 -4.150 546 HG13 ILE 75 2HG1 ILE 75 6.916 1.370 -4.659 547 HG21 ILE 75 1HG2 ILE 75 4.864 4.559 -3.990 548 HG22 ILE 75 2HG2 ILE 75 6.171 4.789 -5.151 549 HG23 ILE 75 3HG2 ILE 75 5.103 3.393 -5.292 550 HD11 ILE 75 1HD1 ILE 75 6.450 1.589 -1.756 551 HD12 ILE 75 2HD1 ILE 75 5.843 0.137 -2.554 552 HD13 ILE 75 3HD1 ILE 75 7.553 0.552 -2.660 553 H ALA 76 H ALA 76 10.135 2.403 -4.720 554 HA ALA 76 HA ALA 76 10.369 0.699 -2.413 555 HB1 ALA 76 1HB ALA 76 11.442 0.771 -5.051 556 HB2 ALA 76 2HB ALA 76 12.774 0.672 -3.898 557 HB3 ALA 76 3HB ALA 76 11.492 -0.539 -3.870 558 H GLU 77 H GLU 77 12.029 3.561 -3.662 559 HA GLU 77 HA GLU 77 14.069 3.621 -1.701 560 HB2 GLU 77 1HB GLU 77 14.354 4.844 -3.755 561 HB3 GLU 77 2HB GLU 77 12.907 5.795 -3.446 562 HG2 GLU 77 1HG GLU 77 14.006 6.804 -1.497 563 HG3 GLU 77 2HG GLU 77 15.463 5.881 -1.859 564 H HIS 78 H HIS 78 10.786 4.805 -1.786 565 HA HIS 78 HA HIS 78 11.001 6.527 0.474 566 HB2 HIS 78 1HB HIS 78 8.594 5.243 -0.831 567 HB3 HIS 78 2HB HIS 78 8.502 6.451 0.447 568 HD1 HIS 78 1HD HIS 78 9.303 6.051 -3.183 569 HD2 HIS 78 2HD HIS 78 9.036 9.078 -0.351 570 HE1 HIS 78 1HE HIS 78 9.364 8.200 -4.488 571 HE2 HIS 78 2HE HIS 78 9.288 10.018 -2.747 572 H THR 79 H THR 79 9.744 6.167 2.499 573 HA THR 79 HA THR 79 10.220 3.434 3.462 574 HB THR 79 HB THR 79 10.153 4.401 5.730 575 HG1 THR 79 1HG THR 79 10.304 6.843 5.668 576 HG21 THR 79 1HG2 THR 79 12.133 4.886 3.723 577 HG22 THR 79 2HG2 THR 79 12.353 4.604 5.450 578 HG23 THR 79 3HG2 THR 79 12.104 6.243 4.847 579 H HIS 80 H HIS 80 8.687 2.523 5.010 580 HA HIS 80 HA HIS 80 6.140 2.256 4.100 581 HB2 HIS 80 1HB HIS 80 7.062 0.804 5.823 582 HB3 HIS 80 2HB HIS 80 7.051 2.130 6.982 583 HD1 HIS 80 1HD HIS 80 4.706 -0.162 5.125 584 HD2 HIS 80 2HD HIS 80 4.654 2.543 8.278 585 HE1 HIS 80 1HE HIS 80 2.455 -0.439 6.211 586 HE2 HIS 80 2HE HIS 80 2.414 1.267 8.064 587 H ASP 81 H ASP 81 7.022 4.359 6.845 588 HA ASP 81 HA ASP 81 4.674 5.557 7.415 589 HB2 ASP 81 1HB ASP 81 7.216 7.155 7.088 590 HB3 ASP 81 2HB ASP 81 5.882 7.476 8.192 591 H GLN 82 H GLN 82 6.652 6.164 4.580 592 HA GLN 82 HA GLN 82 4.966 8.338 3.680 593 HB2 GLN 82 1HB GLN 82 7.169 8.697 3.047 594 HB3 GLN 82 2HB GLN 82 7.441 7.004 2.657 595 HG2 GLN 82 1HG GLN 82 7.430 8.203 0.619 596 HG3 GLN 82 2HG GLN 82 5.920 7.296 0.698 597 HE21 GLN 82 1HE2 GLN 82 4.038 8.361 0.574 598 HE22 GLN 82 2HE2 GLN 82 3.882 10.079 0.491 599 H VAL 83 H VAL 83 5.965 5.271 2.153 600 HA VAL 83 HA VAL 83 4.253 5.092 0.088 601 HB VAL 83 HB VAL 83 4.934 2.848 1.991 602 HG11 VAL 83 1HG1 VAL 83 4.496 1.463 -0.141 603 HG12 VAL 83 2HG1 VAL 83 3.114 2.004 0.814 604 HG13 VAL 83 3HG1 VAL 83 3.552 2.857 -0.667 605 HG21 VAL 83 1HG2 VAL 83 6.155 3.391 -0.697 606 HG22 VAL 83 2HG2 VAL 83 6.779 4.140 0.773 607 HG23 VAL 83 3HG2 VAL 83 6.771 2.384 0.613 608 H VAL 84 H VAL 84 3.426 4.472 3.465 609 HA VAL 84 HA VAL 84 0.826 3.497 3.066 610 HB VAL 84 HB VAL 84 1.941 5.040 5.412 611 HG11 VAL 84 1HG1 VAL 84 -0.462 5.159 5.461 612 HG12 VAL 84 2HG1 VAL 84 -0.593 3.426 5.155 613 HG13 VAL 84 3HG1 VAL 84 0.078 4.006 6.680 614 HG21 VAL 84 1HG2 VAL 84 2.823 3.124 6.179 615 HG22 VAL 84 2HG2 VAL 84 1.441 2.162 5.655 616 HG23 VAL 84 3HG2 VAL 84 2.707 2.587 4.503 617 H LEU 85 H LEU 85 1.960 6.804 3.737 618 HA LEU 85 HA LEU 85 -0.589 8.007 3.650 619 HB2 LEU 85 1HB LEU 85 2.221 8.966 3.501 620 HB3 LEU 85 2HB LEU 85 0.938 10.072 3.017 621 HG LEU 85 HG LEU 85 -0.089 9.774 5.261 622 HD11 LEU 85 1HD1 LEU 85 2.166 8.850 6.692 623 HD12 LEU 85 2HD1 LEU 85 1.822 7.673 5.425 624 HD13 LEU 85 3HD1 LEU 85 0.565 8.119 6.578 625 HD21 LEU 85 1HD2 LEU 85 1.091 11.738 5.158 626 HD22 LEU 85 2HD2 LEU 85 2.627 10.928 4.844 627 HD23 LEU 85 3HD2 LEU 85 1.939 10.918 6.469 628 H PHE 86 H PHE 86 1.961 7.714 1.191 629 HA PHE 86 HA PHE 86 1.001 9.139 -0.884 630 HB2 PHE 86 1HB PHE 86 2.983 7.397 -0.711 631 HB3 PHE 86 2HB PHE 86 1.824 6.332 -1.500 632 HD1 PHE 86 2HD PHE 86 0.707 7.250 -3.651 633 HD2 PHE 86 1HD PHE 86 4.304 8.798 -1.982 634 HE1 PHE 86 2HE PHE 86 1.296 8.224 -5.832 635 HE2 PHE 86 1HE PHE 86 4.898 9.776 -4.160 636 HZ PHE 86 HZ PHE 86 3.393 9.489 -6.089 637 H ILE 87 H ILE 87 0.151 5.693 -0.514 638 HA ILE 87 HA ILE 87 -1.861 5.609 -2.410 639 HB ILE 87 HB ILE 87 -1.703 4.034 0.163 640 HG12 ILE 87 1HG1 ILE 87 -0.939 2.980 -2.531 641 HG13 ILE 87 2HG1 ILE 87 0.196 4.016 -1.671 642 HG21 ILE 87 1HG2 ILE 87 -3.783 4.173 -1.721 643 HG22 ILE 87 2HG2 ILE 87 -2.951 2.646 -2.008 644 HG23 ILE 87 3HG2 ILE 87 -3.590 3.014 -0.406 645 HD11 ILE 87 1HD1 ILE 87 -0.829 1.312 -0.916 646 HD12 ILE 87 2HD1 ILE 87 0.836 1.874 -1.071 647 HD13 ILE 87 3HD1 ILE 87 -0.148 2.400 0.294 648 H LYS 88 H LYS 88 -2.142 6.296 1.066 649 HA LYS 88 HA LYS 88 -4.902 6.553 1.229 650 HB2 LYS 88 1HB LYS 88 -2.618 7.730 2.764 651 HB3 LYS 88 2HB LYS 88 -4.251 8.298 3.086 652 HG2 LYS 88 1HG LYS 88 -4.939 6.263 3.927 653 HG3 LYS 88 2HG LYS 88 -3.667 5.370 3.090 654 HD2 LYS 88 1HD LYS 88 -2.935 5.356 5.292 655 HD3 LYS 88 2HD LYS 88 -2.057 6.723 4.602 656 HE2 LYS 88 1HE LYS 88 -2.870 7.543 6.629 657 HE3 LYS 88 2HE LYS 88 -4.019 8.150 5.436 658 HZ1 LYS 88 1HZ LYS 88 -4.387 5.809 7.224 659 HZ2 LYS 88 2HZ LYS 88 -5.460 6.242 5.991 660 HZ3 LYS 88 3HZ LYS 88 -5.212 7.283 7.301 661 H ALA 89 H ALA 89 -2.474 8.890 0.198 662 HA ALA 89 HA ALA 89 -3.916 11.226 0.148 663 HB1 ALA 89 1HB ALA 89 -1.459 10.551 -0.674 664 HB2 ALA 89 2HB ALA 89 -2.254 10.714 -2.241 665 HB3 ALA 89 3HB ALA 89 -2.240 12.071 -1.114 666 H SER 90 H SER 90 -4.367 8.408 -1.785 667 HA SER 90 HA SER 90 -5.612 9.473 -4.044 668 HB2 SER 90 1HB SER 90 -4.928 7.011 -3.447 669 HB3 SER 90 2HB SER 90 -6.580 6.903 -2.839 670 HG SER 90 HG SER 90 -7.212 6.717 -4.822 671 H CYS 91 H CYS 91 -6.907 8.700 -0.858 672 HA CYS 91 HA CYS 91 -9.603 8.842 -1.249 673 HB2 CYS 91 1HB CYS 91 -9.822 9.531 1.044 674 HB3 CYS 91 2HB CYS 91 -8.446 8.441 0.934 675 HG CYS 91 HG CYS 91 -7.014 11.210 0.530 676 H GLU 92 H GLU 92 -7.300 11.466 -1.332 677 HA GLU 92 HA GLU 92 -9.502 13.312 -1.990 678 HB2 GLU 92 1HB GLU 92 -8.526 13.959 0.127 679 HB3 GLU 92 2HB GLU 92 -6.908 13.895 -0.557 680 HG2 GLU 92 1HG GLU 92 -7.720 15.706 -2.170 681 HG3 GLU 92 2HG GLU 92 -9.074 15.900 -1.058 682 H ARG 93 H ARG 93 -9.283 12.742 -4.209 683 HA ARG 93 HA ARG 93 -7.080 14.161 -5.513 684 HB2 ARG 93 1HB ARG 93 -7.809 11.277 -5.888 685 HB3 ARG 93 2HB ARG 93 -7.130 12.193 -7.227 686 HG2 ARG 93 1HG ARG 93 -5.729 12.253 -4.604 687 HG3 ARG 93 2HG ARG 93 -5.602 10.808 -5.609 688 HD2 ARG 93 1HD ARG 93 -5.136 13.493 -6.827 689 HD3 ARG 93 2HD ARG 93 -3.868 12.755 -5.849 690 HE ARG 93 HE ARG 93 -4.855 10.933 -7.790 691 HH11 ARG 93 2HH1 ARG 93 -2.805 13.720 -7.399 692 HH12 ARG 93 1HH1 ARG 93 -1.805 13.338 -8.761 693 HH21 ARG 93 2HH2 ARG 93 -3.546 10.420 -9.586 694 HH22 ARG 93 1HH2 ARG 93 -2.228 11.461 -10.005 695 H HIS 94 H HIS 94 -7.516 14.524 -7.854 696 HA HIS 94 HA HIS 94 -10.150 15.554 -8.197 697 HB2 HIS 94 1HB HIS 94 -8.365 16.753 -9.227 698 HB3 HIS 94 2HB HIS 94 -7.785 15.312 -10.057 699 HD1 HIS 94 1HD HIS 94 -11.156 17.098 -9.991 700 HD2 HIS 94 2HD HIS 94 -8.387 15.544 -12.671 701 HE1 HIS 94 1HE HIS 94 -12.138 17.486 -12.274 702 HE2 HIS 94 2HE HIS 94 -10.485 16.462 -13.874 703 H SER 95 H SER 95 -8.343 13.041 -9.974 704 HA SER 95 HA SER 95 -10.538 11.263 -10.095 705 HB2 SER 95 1HB SER 95 -10.171 13.163 -12.365 706 HB3 SER 95 2HB SER 95 -10.590 11.494 -12.748 707 HG SER 95 HG SER 95 -12.098 13.472 -11.539 708 H GLY 96 H GLY 96 -9.830 9.255 -10.566 709 HA2 GLY 96 1HA GLY 96 -7.879 8.523 -12.399 710 HA3 GLY 96 2HA GLY 96 -7.043 8.805 -10.879 711 H GLU 97 H GLU 97 -6.574 6.436 -11.375 712 HA GLU 97 HA GLU 97 -8.554 4.822 -9.929 713 HB2 GLU 97 1HB GLU 97 -8.825 4.365 -12.332 714 HB3 GLU 97 2HB GLU 97 -7.120 3.955 -12.446 715 HG2 GLU 97 1HG GLU 97 -8.065 1.880 -12.295 716 HG3 GLU 97 2HG GLU 97 -7.704 2.211 -10.601 717 H LEU 98 H LEU 98 -7.718 3.385 -8.495 718 HA LEU 98 HA LEU 98 -4.964 3.682 -7.772 719 HB2 LEU 98 1HB LEU 98 -7.094 3.209 -6.310 720 HB3 LEU 98 2HB LEU 98 -6.692 1.527 -6.651 721 HG LEU 98 HG LEU 98 -5.748 2.026 -4.546 722 HD11 LEU 98 1HD1 LEU 98 -4.296 0.875 -6.297 723 HD12 LEU 98 2HD1 LEU 98 -3.485 1.529 -4.874 724 HD13 LEU 98 3HD1 LEU 98 -3.422 2.403 -6.404 725 HD21 LEU 98 1HD2 LEU 98 -4.644 4.517 -5.835 726 HD22 LEU 98 2HD2 LEU 98 -4.191 3.942 -4.230 727 HD23 LEU 98 3HD2 LEU 98 -5.857 4.421 -4.559 728 H MET 99 H MET 99 -3.435 2.748 -8.971 729 HA MET 99 HA MET 99 -3.856 -0.039 -9.831 730 HB2 MET 99 1HB MET 99 -2.465 2.264 -11.151 731 HB3 MET 99 2HB MET 99 -1.965 0.617 -11.513 732 HG2 MET 99 1HG MET 99 -3.939 0.100 -12.564 733 HG3 MET 99 2HG MET 99 -4.848 1.334 -11.694 734 HE1 MET 99 1HE MET 99 -3.368 1.378 -15.777 735 HE2 MET 99 2HE MET 99 -3.846 0.111 -14.647 736 HE3 MET 99 3HE MET 99 -5.054 1.231 -15.280 737 H LEU 100 H LEU 100 -2.279 -1.540 -9.424 738 HA LEU 100 HA LEU 100 0.178 -0.648 -8.101 739 HB2 LEU 100 1HB LEU 100 -1.519 -2.892 -7.031 740 HB3 LEU 100 2HB LEU 100 -0.053 -2.224 -6.317 741 HG LEU 100 HG LEU 100 -2.419 -0.444 -6.664 742 HD11 LEU 100 1HD1 LEU 100 -3.716 -1.445 -5.158 743 HD12 LEU 100 2HD1 LEU 100 -2.358 -1.760 -4.079 744 HD13 LEU 100 3HD1 LEU 100 -2.715 -2.877 -5.396 745 HD21 LEU 100 1HD2 LEU 100 -0.431 0.592 -5.876 746 HD22 LEU 100 2HD2 LEU 100 -0.155 -0.688 -4.695 747 HD23 LEU 100 3HD2 LEU 100 -1.509 0.424 -4.490 748 H LEU 101 H LEU 101 1.943 -1.744 -8.724 749 HA LEU 101 HA LEU 101 1.570 -3.949 -10.606 750 HB2 LEU 101 1HB LEU 101 2.993 -1.944 -11.145 751 HB3 LEU 101 2HB LEU 101 4.123 -2.510 -9.917 752 HG LEU 101 HG LEU 101 4.339 -4.635 -11.257 753 HD11 LEU 101 1HD1 LEU 101 3.772 -4.068 -13.772 754 HD12 LEU 101 2HD1 LEU 101 2.522 -3.079 -13.018 755 HD13 LEU 101 3HD1 LEU 101 2.585 -4.812 -12.702 756 HD21 LEU 101 1HD2 LEU 101 5.682 -2.273 -11.418 757 HD22 LEU 101 2HD2 LEU 101 5.233 -2.541 -13.103 758 HD23 LEU 101 3HD2 LEU 101 6.160 -3.763 -12.232 759 H VAL 102 H VAL 102 1.304 -5.803 -9.478 760 HA VAL 102 HA VAL 102 3.221 -6.426 -7.341 761 HB VAL 102 HB VAL 102 1.700 -8.159 -6.621 762 HG11 VAL 102 1HG1 VAL 102 0.751 -5.385 -6.978 763 HG12 VAL 102 2HG1 VAL 102 -0.461 -6.572 -6.491 764 HG13 VAL 102 3HG1 VAL 102 0.982 -6.327 -5.505 765 HG21 VAL 102 1HG2 VAL 102 -0.608 -7.676 -8.192 766 HG22 VAL 102 2HG2 VAL 102 0.736 -7.976 -9.293 767 HG23 VAL 102 3HG2 VAL 102 0.330 -9.163 -8.053 768 H ARG 103 H ARG 103 4.257 -8.478 -7.285 769 HA ARG 103 HA ARG 103 4.727 -9.576 -9.965 770 HB2 ARG 103 1HB ARG 103 6.615 -8.681 -8.456 771 HB3 ARG 103 2HB ARG 103 6.388 -10.155 -7.525 772 HG2 ARG 103 1HG ARG 103 7.071 -11.518 -9.306 773 HG3 ARG 103 2HG ARG 103 6.899 -10.211 -10.479 774 HD2 ARG 103 1HD ARG 103 8.728 -9.010 -9.212 775 HD3 ARG 103 2HD ARG 103 8.990 -10.518 -8.337 776 HE ARG 103 HE ARG 103 9.730 -9.935 -11.061 777 HH11 ARG 103 2HH1 ARG 103 9.066 -12.425 -8.720 778 HH12 ARG 103 1HH1 ARG 103 9.985 -13.635 -9.552 779 HH21 ARG 103 2HH2 ARG 103 10.942 -11.520 -12.167 780 HH22 ARG 103 1HH2 ARG 103 11.052 -13.119 -11.512 781 HA PRO 104 HA PRO 104 2.475 -13.222 -8.877 782 HB2 PRO 104 1HB PRO 104 3.334 -14.790 -10.920 783 HB3 PRO 104 2HB PRO 104 2.148 -13.496 -11.134 784 HG2 PRO 104 1HG PRO 104 5.089 -13.482 -11.695 785 HG3 PRO 104 2HG PRO 104 3.761 -12.826 -12.670 786 HD2 PRO 104 1HD PRO 104 5.317 -11.270 -11.093 787 HD3 PRO 104 2HD PRO 104 3.605 -10.911 -11.397 788 H ASN 105 H ASN 105 3.008 -14.551 -7.270 789 HA ASN 105 HA ASN 105 5.751 -15.571 -7.103 790 HB2 ASN 105 1HB ASN 105 5.241 -14.581 -5.058 791 HB3 ASN 105 2HB ASN 105 3.569 -15.134 -5.093 792 HD21 ASN 105 1HD2 ASN 105 3.181 -16.560 -3.578 793 HD22 ASN 105 2HD2 ASN 105 4.261 -17.793 -3.031 794 H ALA 106 H ALA 106 5.407 -17.166 -8.758 795 HA ALA 106 HA ALA 106 4.544 -19.679 -7.677 796 HB1 ALA 106 1HB ALA 106 2.809 -20.189 -9.247 797 HB2 ALA 106 2HB ALA 106 2.400 -18.671 -8.446 798 HB3 ALA 106 3HB ALA 106 3.049 -18.656 -10.086 799 H VAL 107 H VAL 107 5.478 -21.400 -8.713 800 HA VAL 107 HA VAL 107 7.692 -20.868 -10.404 801 HB VAL 107 HB VAL 107 7.914 -23.328 -10.562 802 HG11 VAL 107 1HG1 VAL 107 8.104 -23.718 -8.054 803 HG12 VAL 107 2HG1 VAL 107 9.004 -22.353 -8.719 804 HG13 VAL 107 3HG1 VAL 107 7.486 -22.078 -7.863 805 HG21 VAL 107 1HG2 VAL 107 6.306 -24.617 -9.011 806 HG22 VAL 107 2HG2 VAL 107 5.232 -23.235 -9.227 807 HG23 VAL 107 3HG2 VAL 107 5.748 -24.178 -10.626 808 H TYR 108 H TYR 108 7.906 -22.535 -12.387 809 HA TYR 108 HA TYR 108 5.488 -22.381 -14.037 810 HB2 TYR 108 1HB TYR 108 6.581 -21.341 -15.858 811 HB3 TYR 108 2HB TYR 108 7.044 -20.399 -14.445 812 HD1 TYR 108 2HD TYR 108 8.215 -22.971 -16.833 813 HD2 TYR 108 1HD TYR 108 9.315 -20.196 -13.801 814 HE1 TYR 108 2HE TYR 108 10.587 -23.307 -17.394 815 HE2 TYR 108 1HE TYR 108 11.689 -20.523 -14.354 816 HH TYR 108 HH TYR 108 12.678 -22.582 -17.059 817 H ASP 109 H ASP 109 5.094 -24.246 -15.017 818 HA ASP 109 HA ASP 109 7.085 -25.851 -16.241 819 HB2 ASP 109 1HB ASP 109 7.295 -27.666 -14.801 820 HB3 ASP 109 2HB ASP 109 7.303 -26.304 -13.684 821 H VAL 110 H VAL 110 6.182 -27.813 -17.213 822 HA VAL 110 HA VAL 110 3.369 -27.403 -17.893 823 HB VAL 110 HB VAL 110 5.055 -27.638 -19.711 824 HG11 VAL 110 1HG1 VAL 110 5.168 -30.569 -19.147 825 HG12 VAL 110 2HG1 VAL 110 6.270 -29.562 -20.089 826 HG13 VAL 110 3HG1 VAL 110 6.284 -29.477 -18.327 827 HG21 VAL 110 1HG2 VAL 110 2.936 -28.060 -20.492 828 HG22 VAL 110 2HG2 VAL 110 3.735 -29.587 -20.866 829 HG23 VAL 110 3HG2 VAL 110 2.707 -29.456 -19.440 830 H VAL 111 H VAL 111 1.806 -29.003 -17.726 831 HA VAL 111 HA VAL 111 1.909 -30.681 -15.496 832 HB VAL 111 HB VAL 111 -0.191 -29.885 -16.539 833 HG11 VAL 111 1HG1 VAL 111 -0.431 -32.023 -18.475 834 HG12 VAL 111 2HG1 VAL 111 -0.735 -30.295 -18.660 835 HG13 VAL 111 3HG1 VAL 111 0.897 -30.932 -18.868 836 HG21 VAL 111 1HG2 VAL 111 -1.441 -32.030 -16.292 837 HG22 VAL 111 2HG2 VAL 111 0.110 -32.865 -16.188 838 HG23 VAL 111 3HG2 VAL 111 -0.339 -31.681 -14.960 839 H GLU 112 H GLU 112 2.408 -32.792 -15.181 840 HA GLU 112 HA GLU 112 3.274 -34.355 -17.519 841 HB2 GLU 112 1HB GLU 112 5.193 -35.164 -16.367 842 HB3 GLU 112 2HB GLU 112 5.201 -33.415 -16.198 843 HG2 GLU 112 1HG GLU 112 4.088 -33.773 -13.949 844 HG3 GLU 112 2HG GLU 112 4.498 -35.477 -14.137 845 H GLU 113 H GLU 113 2.635 -36.446 -17.573 846 HA GLU 113 HA GLU 113 1.855 -37.921 -15.266 847 HB2 GLU 113 1HB GLU 113 -0.559 -38.205 -16.064 848 HB3 GLU 113 2HB GLU 113 -0.155 -36.705 -15.242 849 HG2 GLU 113 1HG GLU 113 0.200 -35.733 -17.578 850 HG3 GLU 113 2HG GLU 113 -0.646 -37.165 -18.160 851 H SER 114 H SER 114 2.856 -39.734 -15.880 852 HA SER 114 HA SER 114 3.090 -40.611 -18.561 853 HB2 SER 114 1HB SER 114 4.649 -41.205 -16.669 854 HB3 SER 114 2HB SER 114 3.407 -42.308 -16.077 855 HG SER 114 HG SER 114 4.461 -42.425 -18.704 856 H GLY 115 H GLY 115 2.302 -42.720 -19.375 857 HA2 GLY 115 1HA GLY 115 0.434 -44.407 -18.576 858 HA3 GLY 115 2HA GLY 115 -0.551 -42.967 -18.791 859 HA PRO 116 HA PRO 116 0.414 -45.349 -22.867 860 HB2 PRO 116 1HB PRO 116 -1.617 -47.149 -22.923 861 HB3 PRO 116 2HB PRO 116 -0.028 -47.515 -22.242 862 HG2 PRO 116 1HG PRO 116 -2.555 -46.734 -20.840 863 HG3 PRO 116 2HG PRO 116 -1.373 -47.983 -20.404 864 HD2 PRO 116 1HD PRO 116 -1.430 -45.552 -19.212 865 HD3 PRO 116 2HD PRO 116 0.075 -46.460 -19.458 866 H SER 117 H SER 117 -0.959 -45.297 -24.788 867 HA SER 117 HA SER 117 -2.725 -43.038 -24.742 868 HB2 SER 117 1HB SER 117 -1.583 -44.823 -26.840 869 HB3 SER 117 2HB SER 117 -3.039 -43.912 -27.239 870 HG SER 117 HG SER 117 -1.532 -42.473 -27.712 871 H SER 118 H SER 118 -4.907 -42.979 -24.853 872 HA SER 118 HA SER 118 -6.316 -45.482 -24.382 873 HB2 SER 118 1HB SER 118 -6.623 -43.175 -23.130 874 HB3 SER 118 2HB SER 118 -7.710 -42.836 -24.477 875 HG SER 118 HG SER 118 -8.344 -44.111 -22.346 876 H GLY 119 H GLY 119 -6.892 -42.611 -26.430 877 HA2 GLY 119 1HA GLY 119 -8.276 -44.377 -28.341 878 HA3 GLY 119 2HA GLY 119 -8.534 -42.645 -28.196 Start of MODEL 11 1 H1 GLY 1 H GLY 1 13.048 -12.864 -53.528 2 HA2 GLY 1 1HA GLY 1 10.494 -13.939 -52.577 3 HA3 GLY 1 2HA GLY 1 12.007 -14.825 -52.702 4 H SER 2 H SER 2 9.904 -13.180 -50.639 5 HA SER 2 HA SER 2 11.475 -13.813 -48.343 6 HB2 SER 2 1HB SER 2 11.648 -11.459 -47.498 7 HB3 SER 2 2HB SER 2 12.666 -11.788 -48.900 8 HG SER 2 HG SER 2 10.868 -10.889 -50.161 9 H SER 3 H SER 3 10.249 -13.901 -46.506 10 HA SER 3 HA SER 3 7.390 -13.366 -46.867 11 HB2 SER 3 1HB SER 3 8.214 -15.663 -46.181 12 HB3 SER 3 2HB SER 3 8.685 -14.947 -44.640 13 HG SER 3 HG SER 3 6.352 -15.896 -45.231 14 H GLY 4 H GLY 4 7.221 -11.191 -46.417 15 HA2 GLY 4 1HA GLY 4 7.383 -10.503 -43.596 16 HA3 GLY 4 2HA GLY 4 8.418 -9.567 -44.664 17 H SER 5 H SER 5 6.078 -8.799 -42.991 18 HA SER 5 HA SER 5 4.547 -7.483 -45.129 19 HB2 SER 5 1HB SER 5 2.486 -7.738 -43.807 20 HB3 SER 5 2HB SER 5 3.174 -9.308 -44.224 21 HG SER 5 HG SER 5 3.975 -8.177 -41.812 22 H SER 6 H SER 6 6.728 -6.350 -43.856 23 HA SER 6 HA SER 6 7.335 -4.355 -42.933 24 HB2 SER 6 1HB SER 6 5.181 -3.560 -44.027 25 HB3 SER 6 2HB SER 6 4.407 -3.787 -42.459 26 HG SER 6 HG SER 6 5.540 -2.146 -41.638 27 H GLY 7 H GLY 7 7.320 -6.656 -41.366 28 HA2 GLY 7 1HA GLY 7 7.923 -6.927 -39.108 29 HA3 GLY 7 2HA GLY 7 7.057 -5.448 -38.722 30 H ASN 8 H ASN 8 6.884 -7.895 -37.278 31 HA ASN 8 HA ASN 8 4.085 -8.645 -37.819 32 HB2 ASN 8 1HB ASN 8 4.582 -10.806 -36.725 33 HB3 ASN 8 2HB ASN 8 5.581 -10.543 -38.151 34 HD21 ASN 8 1HD2 ASN 8 5.594 -11.515 -35.004 35 HD22 ASN 8 2HD2 ASN 8 7.274 -11.316 -34.652 36 H GLY 9 H GLY 9 2.717 -7.830 -36.383 37 HA2 GLY 9 1HA GLY 9 3.499 -6.577 -33.984 38 HA3 GLY 9 2HA GLY 9 1.852 -7.004 -34.425 39 H GLY 10 H GLY 10 2.027 -7.257 -31.928 40 HA2 GLY 10 1HA GLY 10 1.305 -9.455 -30.864 41 HA3 GLY 10 2HA GLY 10 2.917 -10.000 -31.303 42 H ILE 11 H ILE 11 1.183 -7.570 -29.395 43 HA ILE 11 HA ILE 11 3.332 -6.559 -27.947 44 HB ILE 11 HB ILE 11 1.642 -6.042 -26.160 45 HG12 ILE 11 1HG1 ILE 11 -0.232 -7.408 -28.104 46 HG13 ILE 11 2HG1 ILE 11 0.185 -7.985 -26.494 47 HG21 ILE 11 1HG2 ILE 11 0.669 -5.275 -28.899 48 HG22 ILE 11 2HG2 ILE 11 0.596 -4.335 -27.409 49 HG23 ILE 11 3HG2 ILE 11 2.148 -4.623 -28.194 50 HD11 ILE 11 1HD1 ILE 11 -1.511 -5.657 -27.281 51 HD12 ILE 11 2HD1 ILE 11 -1.881 -6.995 -26.194 52 HD13 ILE 11 3HD1 ILE 11 -0.761 -5.731 -25.688 53 HA PRO 12 HA PRO 12 4.606 -9.901 -25.372 54 HB2 PRO 12 1HB PRO 12 5.870 -8.469 -23.443 55 HB3 PRO 12 2HB PRO 12 6.547 -8.714 -25.058 56 HG2 PRO 12 1HG PRO 12 5.078 -6.348 -23.960 57 HG3 PRO 12 2HG PRO 12 6.532 -6.390 -24.973 58 HD2 PRO 12 1HD PRO 12 4.069 -5.884 -25.979 59 HD3 PRO 12 2HD PRO 12 5.326 -6.725 -26.909 60 H HIS 13 H HIS 13 2.531 -10.598 -24.664 61 HA HIS 13 HA HIS 13 0.786 -9.524 -22.909 62 HB2 HIS 13 1HB HIS 13 1.749 -12.376 -23.098 63 HB3 HIS 13 2HB HIS 13 0.421 -11.901 -22.043 64 HD1 HIS 13 1HD HIS 13 -1.846 -11.671 -23.090 65 HD2 HIS 13 2HD HIS 13 1.191 -11.975 -25.909 66 HE1 HIS 13 1HE HIS 13 -3.008 -11.909 -25.308 67 HE2 HIS 13 2HE HIS 13 -1.151 -12.177 -26.988 68 H ASP 14 H ASP 14 1.235 -8.393 -21.132 69 HA ASP 14 HA ASP 14 3.452 -8.499 -19.529 70 HB2 ASP 14 1HB ASP 14 1.944 -7.558 -17.710 71 HB3 ASP 14 2HB ASP 14 1.950 -6.685 -19.240 72 H ASN 15 H ASN 15 4.135 -9.642 -17.773 73 HA ASN 15 HA ASN 15 2.715 -12.145 -17.247 74 HB2 ASN 15 1HB ASN 15 5.495 -11.325 -16.381 75 HB3 ASN 15 2HB ASN 15 4.796 -12.939 -16.282 76 HD21 ASN 15 1HD2 ASN 15 6.305 -10.595 -18.289 77 HD22 ASN 15 2HD2 ASN 15 6.454 -11.580 -19.702 78 H LEU 16 H LEU 16 4.166 -9.410 -15.513 79 HA LEU 16 HA LEU 16 3.521 -10.204 -12.916 80 HB2 LEU 16 1HB LEU 16 3.967 -7.538 -14.203 81 HB3 LEU 16 2HB LEU 16 3.492 -7.648 -12.510 82 HG LEU 16 HG LEU 16 5.971 -7.383 -13.011 83 HD11 LEU 16 1HD1 LEU 16 4.827 -9.545 -11.278 84 HD12 LEU 16 2HD1 LEU 16 5.411 -7.946 -10.819 85 HD13 LEU 16 3HD1 LEU 16 6.556 -9.198 -11.300 86 HD21 LEU 16 1HD2 LEU 16 7.105 -9.606 -13.429 87 HD22 LEU 16 2HD2 LEU 16 6.302 -8.868 -14.816 88 HD23 LEU 16 3HD2 LEU 16 5.532 -10.203 -13.958 89 H VAL 17 H VAL 17 1.820 -9.623 -11.517 90 HA VAL 17 HA VAL 17 -0.753 -9.456 -12.837 91 HB VAL 17 HB VAL 17 -0.019 -9.764 -9.924 92 HG11 VAL 17 1HG1 VAL 17 -2.080 -8.966 -9.540 93 HG12 VAL 17 2HG1 VAL 17 -2.574 -9.155 -11.223 94 HG13 VAL 17 3HG1 VAL 17 -2.624 -10.537 -10.127 95 HG21 VAL 17 1HG2 VAL 17 -0.245 -12.005 -10.181 96 HG22 VAL 17 2HG2 VAL 17 -1.481 -11.850 -11.430 97 HG23 VAL 17 3HG2 VAL 17 0.220 -11.620 -11.838 98 H LEU 18 H LEU 18 -1.680 -7.578 -13.285 99 HA LEU 18 HA LEU 18 -0.909 -5.193 -11.776 100 HB2 LEU 18 1HB LEU 18 -0.723 -4.966 -14.148 101 HB3 LEU 18 2HB LEU 18 -2.363 -5.567 -14.386 102 HG LEU 18 HG LEU 18 -2.997 -3.434 -12.979 103 HD11 LEU 18 1HD1 LEU 18 -1.509 -1.554 -13.474 104 HD12 LEU 18 2HD1 LEU 18 -0.347 -2.667 -14.194 105 HD13 LEU 18 3HD1 LEU 18 -0.716 -2.770 -12.473 106 HD21 LEU 18 1HD2 LEU 18 -2.132 -3.098 -15.840 107 HD22 LEU 18 2HD2 LEU 18 -3.463 -2.300 -15.001 108 HD23 LEU 18 3HD2 LEU 18 -3.559 -4.023 -15.371 109 H ILE 19 H ILE 19 -2.169 -4.457 -10.210 110 HA ILE 19 HA ILE 19 -4.874 -5.481 -9.923 111 HB ILE 19 HB ILE 19 -3.373 -3.602 -8.098 112 HG12 ILE 19 1HG1 ILE 19 -2.201 -5.762 -8.377 113 HG13 ILE 19 2HG1 ILE 19 -2.843 -5.563 -6.750 114 HG21 ILE 19 1HG2 ILE 19 -6.059 -4.700 -8.103 115 HG22 ILE 19 2HG2 ILE 19 -5.183 -5.074 -6.620 116 HG23 ILE 19 3HG2 ILE 19 -5.372 -3.398 -7.133 117 HD11 ILE 19 1HD1 ILE 19 -3.220 -7.810 -7.479 118 HD12 ILE 19 2HD1 ILE 19 -4.771 -6.973 -7.396 119 HD13 ILE 19 3HD1 ILE 19 -3.999 -7.247 -8.958 120 H ARG 20 H ARG 20 -6.722 -4.317 -10.114 121 HA ARG 20 HA ARG 20 -6.517 -1.439 -10.639 122 HB2 ARG 20 1HB ARG 20 -8.037 -3.405 -12.362 123 HB3 ARG 20 2HB ARG 20 -8.108 -1.655 -12.520 124 HG2 ARG 20 1HG ARG 20 -5.787 -1.566 -13.142 125 HG3 ARG 20 2HG ARG 20 -5.605 -3.296 -12.842 126 HD2 ARG 20 1HD ARG 20 -7.318 -1.998 -14.958 127 HD3 ARG 20 2HD ARG 20 -5.820 -2.892 -15.217 128 HE ARG 20 HE ARG 20 -6.974 -4.873 -14.935 129 HH11 ARG 20 2HH1 ARG 20 -9.007 -2.165 -14.127 130 HH12 ARG 20 1HH1 ARG 20 -10.461 -3.106 -14.070 131 HH21 ARG 20 2HH2 ARG 20 -8.881 -6.123 -14.862 132 HH22 ARG 20 1HH2 ARG 20 -10.387 -5.357 -14.487 133 H MET 21 H MET 21 -7.884 -0.352 -9.395 134 HA MET 21 HA MET 21 -10.572 -1.256 -8.936 135 HB2 MET 21 1HB MET 21 -10.488 -1.546 -6.582 136 HB3 MET 21 2HB MET 21 -9.179 -2.517 -7.242 137 HG2 MET 21 1HG MET 21 -8.652 0.268 -6.310 138 HG3 MET 21 2HG MET 21 -8.773 -1.051 -5.149 139 HE1 MET 21 1HE MET 21 -6.482 -1.658 -4.196 140 HE2 MET 21 2HE MET 21 -7.197 -3.054 -5.004 141 HE3 MET 21 3HE MET 21 -5.480 -2.704 -5.202 142 H LYS 22 H LYS 22 -11.677 0.301 -7.310 143 HA LYS 22 HA LYS 22 -10.592 3.011 -7.711 144 HB2 LYS 22 1HB LYS 22 -12.942 3.799 -7.891 145 HB3 LYS 22 2HB LYS 22 -12.471 2.719 -9.197 146 HG2 LYS 22 1HG LYS 22 -13.776 0.974 -8.395 147 HG3 LYS 22 2HG LYS 22 -13.875 1.665 -6.774 148 HD2 LYS 22 1HD LYS 22 -15.384 3.349 -7.486 149 HD3 LYS 22 2HD LYS 22 -15.088 2.991 -9.189 150 HE2 LYS 22 1HE LYS 22 -17.222 2.078 -8.549 151 HE3 LYS 22 2HE LYS 22 -16.095 0.756 -8.850 152 HZ1 LYS 22 1HZ LYS 22 -16.605 1.821 -6.134 153 HZ2 LYS 22 2HZ LYS 22 -15.858 0.364 -6.559 154 HZ3 LYS 22 3HZ LYS 22 -17.521 0.564 -6.801 155 HA PRO 23 HA PRO 23 -10.972 3.650 -3.383 156 HB2 PRO 23 1HB PRO 23 -11.490 6.314 -3.303 157 HB3 PRO 23 2HB PRO 23 -9.901 5.656 -3.712 158 HG2 PRO 23 1HG PRO 23 -12.060 6.661 -5.526 159 HG3 PRO 23 2HG PRO 23 -10.310 6.938 -5.608 160 HD2 PRO 23 1HD PRO 23 -11.571 5.115 -7.164 161 HD3 PRO 23 2HD PRO 23 -9.905 4.893 -6.591 162 H ASP 24 H ASP 24 -12.599 3.054 -2.111 163 HA ASP 24 HA ASP 24 -15.264 2.960 -2.738 164 HB2 ASP 24 1HB ASP 24 -13.924 2.025 -0.681 165 HB3 ASP 24 2HB ASP 24 -14.481 3.501 0.102 166 H GLU 25 H GLU 25 -17.060 4.147 -1.502 167 HA GLU 25 HA GLU 25 -17.267 6.741 -2.395 168 HB2 GLU 25 1HB GLU 25 -18.624 5.548 0.029 169 HB3 GLU 25 2HB GLU 25 -19.144 6.995 -0.824 170 HG2 GLU 25 1HG GLU 25 -18.904 4.361 -2.227 171 HG3 GLU 25 2HG GLU 25 -20.349 4.793 -1.315 172 H ASN 26 H ASN 26 -16.150 5.602 0.763 173 HA ASN 26 HA ASN 26 -15.682 8.299 1.702 174 HB2 ASN 26 1HB ASN 26 -15.080 5.601 2.930 175 HB3 ASN 26 2HB ASN 26 -14.772 7.142 3.726 176 HD21 ASN 26 1HD2 ASN 26 -16.228 7.474 5.232 177 HD22 ASN 26 2HD2 ASN 26 -17.924 7.173 5.096 178 H GLY 27 H GLY 27 -14.214 7.041 -0.649 179 HA2 GLY 27 1HA GLY 27 -12.062 6.887 -1.469 180 HA3 GLY 27 2HA GLY 27 -11.838 8.362 -0.540 181 H ARG 28 H ARG 28 -12.159 4.887 0.209 182 HA ARG 28 HA ARG 28 -9.538 4.932 1.475 183 HB2 ARG 28 1HB ARG 28 -12.122 4.603 2.928 184 HB3 ARG 28 2HB ARG 28 -10.755 3.619 3.436 185 HG2 ARG 28 1HG ARG 28 -9.431 5.631 3.806 186 HG3 ARG 28 2HG ARG 28 -10.786 6.626 3.272 187 HD2 ARG 28 1HD ARG 28 -12.094 5.375 5.138 188 HD3 ARG 28 2HD ARG 28 -10.489 5.006 5.769 189 HE ARG 28 HE ARG 28 -11.811 7.573 5.760 190 HH11 ARG 28 2HH1 ARG 28 -8.788 5.869 6.028 191 HH12 ARG 28 1HH1 ARG 28 -7.991 7.151 6.878 192 HH21 ARG 28 2HH2 ARG 28 -10.773 9.268 6.879 193 HH22 ARG 28 1HH2 ARG 28 -9.121 9.084 7.362 194 H PHE 29 H PHE 29 -8.461 3.114 1.054 195 HA PHE 29 HA PHE 29 -9.788 0.980 -0.363 196 HB2 PHE 29 1HB PHE 29 -6.904 1.378 0.451 197 HB3 PHE 29 2HB PHE 29 -7.480 0.012 -0.499 198 HD1 PHE 29 1HD PHE 29 -8.300 0.348 -2.784 199 HD2 PHE 29 2HD PHE 29 -6.632 3.540 -0.516 200 HE1 PHE 29 1HE PHE 29 -8.027 1.665 -4.845 201 HE2 PHE 29 2HE PHE 29 -6.357 4.862 -2.573 202 HZ PHE 29 HZ PHE 29 -7.056 3.925 -4.741 203 H GLY 30 H GLY 30 -8.709 -1.323 0.311 204 HA2 GLY 30 1HA GLY 30 -8.969 -1.658 3.216 205 HA3 GLY 30 2HA GLY 30 -10.049 -2.567 2.169 206 H PHE 31 H PHE 31 -6.611 -1.971 2.813 207 HA PHE 31 HA PHE 31 -6.037 -4.775 2.726 208 HB2 PHE 31 1HB PHE 31 -4.521 -4.774 0.840 209 HB3 PHE 31 2HB PHE 31 -6.101 -4.212 0.302 210 HD1 PHE 31 2HD PHE 31 -6.445 -1.906 -0.353 211 HD2 PHE 31 1HD PHE 31 -2.625 -3.288 0.918 212 HE1 PHE 31 2HE PHE 31 -5.407 0.123 -1.279 213 HE2 PHE 31 1HE PHE 31 -1.581 -1.260 -0.006 214 HZ PHE 31 HZ PHE 31 -2.972 0.448 -1.107 215 H ASN 32 H ASN 32 -4.439 -5.167 4.114 216 HA ASN 32 HA ASN 32 -2.844 -2.909 5.067 217 HB2 ASN 32 1HB ASN 32 -3.570 -5.589 6.202 218 HB3 ASN 32 2HB ASN 32 -2.164 -4.729 6.822 219 HD21 ASN 32 1HD2 ASN 32 -2.440 -2.896 8.035 220 HD22 ASN 32 2HD2 ASN 32 -3.979 -2.382 8.627 221 H VAL 33 H VAL 33 -0.695 -2.747 4.781 222 HA VAL 33 HA VAL 33 0.658 -4.972 3.398 223 HB VAL 33 HB VAL 33 2.159 -3.297 2.398 224 HG11 VAL 33 1HG1 VAL 33 0.001 -2.033 1.249 225 HG12 VAL 33 2HG1 VAL 33 0.673 -3.588 0.755 226 HG13 VAL 33 3HG1 VAL 33 -0.695 -3.531 1.867 227 HG21 VAL 33 1HG2 VAL 33 0.957 -0.881 2.570 228 HG22 VAL 33 2HG2 VAL 33 0.655 -1.509 4.190 229 HG23 VAL 33 3HG2 VAL 33 2.307 -1.386 3.586 230 H LYS 34 H LYS 34 3.036 -5.047 3.747 231 HA LYS 34 HA LYS 34 3.929 -3.939 6.298 232 HB2 LYS 34 1HB LYS 34 4.522 -5.999 7.261 233 HB3 LYS 34 2HB LYS 34 2.907 -6.264 6.617 234 HG2 LYS 34 1HG LYS 34 3.912 -7.326 4.628 235 HG3 LYS 34 2HG LYS 34 5.504 -7.131 5.364 236 HD2 LYS 34 1HD LYS 34 5.098 -8.719 6.984 237 HD3 LYS 34 2HD LYS 34 3.347 -8.507 6.901 238 HE2 LYS 34 1HE LYS 34 3.547 -10.517 5.835 239 HE3 LYS 34 2HE LYS 34 3.703 -9.432 4.455 240 HZ1 LYS 34 1HZ LYS 34 6.148 -9.588 4.752 241 HZ2 LYS 34 2HZ LYS 34 5.419 -11.053 4.325 242 HZ3 LYS 34 3HZ LYS 34 5.898 -10.782 5.925 243 H GLY 35 H GLY 35 6.192 -3.818 6.526 244 HA2 GLY 35 1HA GLY 35 8.424 -4.210 5.789 245 HA3 GLY 35 2HA GLY 35 7.792 -4.644 4.207 246 H GLY 36 H GLY 36 9.817 -3.045 4.006 247 HA2 GLY 36 1HA GLY 36 9.215 -0.927 2.506 248 HA3 GLY 36 2HA GLY 36 8.981 -0.257 4.114 249 H TYR 37 H TYR 37 10.824 0.864 2.440 250 HA TYR 37 HA TYR 37 13.400 -0.023 2.376 251 HB2 TYR 37 1HB TYR 37 12.937 2.030 1.306 252 HB3 TYR 37 2HB TYR 37 12.303 2.752 2.781 253 HD1 TYR 37 2HD TYR 37 15.369 1.760 1.001 254 HD2 TYR 37 1HD TYR 37 13.762 3.764 4.392 255 HE1 TYR 37 2HE TYR 37 17.578 2.738 1.463 256 HE2 TYR 37 1HE TYR 37 15.966 4.749 4.862 257 HH TYR 37 HH TYR 37 18.213 5.200 3.006 258 H ASP 38 H ASP 38 11.661 1.256 5.133 259 HA ASP 38 HA ASP 38 13.748 1.765 6.887 260 HB2 ASP 38 1HB ASP 38 11.744 2.433 7.779 261 HB3 ASP 38 2HB ASP 38 10.887 1.007 7.198 262 H GLN 39 H GLN 39 12.068 -1.293 6.250 263 HA GLN 39 HA GLN 39 14.078 -2.687 7.875 264 HB2 GLN 39 1HB GLN 39 11.256 -3.264 7.127 265 HB3 GLN 39 2HB GLN 39 12.334 -4.635 7.349 266 HG2 GLN 39 1HG GLN 39 12.095 -2.489 9.423 267 HG3 GLN 39 2HG GLN 39 10.959 -3.835 9.350 268 HE21 GLN 39 1HE2 GLN 39 14.174 -2.836 10.102 269 HE22 GLN 39 2HE2 GLN 39 14.701 -4.323 10.806 270 H LYS 40 H LYS 40 14.511 -1.657 5.146 271 HA LYS 40 HA LYS 40 15.130 -2.362 3.033 272 HB2 LYS 40 1HB LYS 40 16.677 -3.982 5.031 273 HB3 LYS 40 2HB LYS 40 16.958 -4.197 3.308 274 HG2 LYS 40 1HG LYS 40 18.573 -2.658 3.999 275 HG3 LYS 40 2HG LYS 40 17.328 -1.683 3.214 276 HD2 LYS 40 1HD LYS 40 16.411 -1.056 5.361 277 HD3 LYS 40 2HD LYS 40 17.540 -2.129 6.192 278 HE2 LYS 40 1HE LYS 40 18.631 -0.024 4.390 279 HE3 LYS 40 2HE LYS 40 18.008 0.458 5.967 280 HZ1 LYS 40 1HZ LYS 40 19.891 -1.790 5.793 281 HZ2 LYS 40 2HZ LYS 40 19.627 -0.708 7.066 282 HZ3 LYS 40 3HZ LYS 40 20.486 -0.209 5.697 283 H MET 41 H MET 41 12.655 -3.468 3.578 284 HA MET 41 HA MET 41 12.891 -6.048 2.197 285 HB2 MET 41 1HB MET 41 11.385 -7.141 3.609 286 HB3 MET 41 2HB MET 41 12.398 -6.231 4.722 287 HG2 MET 41 1HG MET 41 10.719 -4.601 5.062 288 HG3 MET 41 2HG MET 41 9.757 -5.216 3.720 289 HE1 MET 41 1HE MET 41 7.588 -7.772 4.988 290 HE2 MET 41 2HE MET 41 8.339 -6.926 3.635 291 HE3 MET 41 3HE MET 41 9.051 -8.420 4.245 292 HA PRO 42 HA PRO 42 9.855 -4.463 -0.551 293 HB2 PRO 42 1HB PRO 42 8.608 -6.751 -1.313 294 HB3 PRO 42 2HB PRO 42 10.238 -6.321 -1.847 295 HG2 PRO 42 1HG PRO 42 9.389 -8.182 0.340 296 HG3 PRO 42 2HG PRO 42 10.661 -8.393 -0.878 297 HD2 PRO 42 1HD PRO 42 11.192 -7.639 1.668 298 HD3 PRO 42 2HD PRO 42 12.166 -7.094 0.288 299 H VAL 43 H VAL 43 7.666 -3.941 -0.733 300 HA VAL 43 HA VAL 43 6.141 -4.248 1.711 301 HB VAL 43 HB VAL 43 5.342 -2.791 -0.810 302 HG11 VAL 43 1HG1 VAL 43 3.465 -3.229 0.629 303 HG12 VAL 43 2HG1 VAL 43 4.354 -2.642 2.036 304 HG13 VAL 43 3HG1 VAL 43 3.890 -1.523 0.754 305 HG21 VAL 43 1HG2 VAL 43 7.356 -1.770 -0.148 306 HG22 VAL 43 2HG2 VAL 43 6.081 -0.755 0.527 307 HG23 VAL 43 3HG2 VAL 43 6.949 -1.888 1.564 308 H ILE 44 H ILE 44 4.953 -6.014 1.994 309 HA ILE 44 HA ILE 44 3.456 -7.075 -0.313 310 HB ILE 44 HB ILE 44 4.582 -8.653 2.004 311 HG12 ILE 44 1HG1 ILE 44 5.841 -9.767 0.039 312 HG13 ILE 44 2HG1 ILE 44 5.420 -8.318 -0.867 313 HG21 ILE 44 1HG2 ILE 44 3.218 -9.722 -0.454 314 HG22 ILE 44 2HG2 ILE 44 3.672 -10.597 1.007 315 HG23 ILE 44 3HG2 ILE 44 2.368 -9.411 1.059 316 HD11 ILE 44 1HD1 ILE 44 6.506 -7.477 1.597 317 HD12 ILE 44 2HD1 ILE 44 7.564 -8.729 0.945 318 HD13 ILE 44 3HD1 ILE 44 7.186 -7.303 -0.021 319 H VAL 45 H VAL 45 1.316 -7.438 -0.057 320 HA VAL 45 HA VAL 45 -0.111 -6.164 1.973 321 HB VAL 45 HB VAL 45 -0.901 -8.269 -0.022 322 HG11 VAL 45 1HG1 VAL 45 -3.257 -7.852 0.662 323 HG12 VAL 45 2HG1 VAL 45 -2.303 -8.703 1.878 324 HG13 VAL 45 3HG1 VAL 45 -2.649 -6.984 2.071 325 HG21 VAL 45 1HG2 VAL 45 -1.731 -6.552 -1.270 326 HG22 VAL 45 2HG2 VAL 45 -2.112 -5.562 0.139 327 HG23 VAL 45 3HG2 VAL 45 -0.446 -5.688 -0.426 328 H SER 46 H SER 46 -0.057 -6.676 4.060 329 HA SER 46 HA SER 46 0.642 -9.204 5.086 330 HB2 SER 46 1HB SER 46 0.745 -6.914 6.252 331 HB3 SER 46 2HB SER 46 -0.964 -7.158 6.610 332 HG SER 46 HG SER 46 0.883 -7.958 8.109 333 H ARG 47 H ARG 47 -2.497 -7.579 5.541 334 HA ARG 47 HA ARG 47 -3.816 -10.173 5.103 335 HB2 ARG 47 1HB ARG 47 -3.561 -9.279 7.574 336 HB3 ARG 47 2HB ARG 47 -4.923 -8.264 7.118 337 HG2 ARG 47 1HG ARG 47 -5.977 -10.080 8.046 338 HG3 ARG 47 2HG ARG 47 -5.986 -10.501 6.333 339 HD2 ARG 47 1HD ARG 47 -4.111 -11.961 6.615 340 HD3 ARG 47 2HD ARG 47 -3.870 -11.413 8.273 341 HE ARG 47 HE ARG 47 -6.456 -12.574 7.817 342 HH11 ARG 47 2HH1 ARG 47 -3.125 -13.234 8.583 343 HH12 ARG 47 1HH1 ARG 47 -3.469 -14.737 9.374 344 HH21 ARG 47 2HH2 ARG 47 -6.922 -14.550 8.856 345 HH22 ARG 47 1HH2 ARG 47 -5.629 -15.485 9.528 346 H VAL 48 H VAL 48 -6.083 -10.011 4.495 347 HA VAL 48 HA VAL 48 -6.775 -7.423 3.270 348 HB VAL 48 HB VAL 48 -7.254 -10.139 2.036 349 HG11 VAL 48 1HG1 VAL 48 -7.748 -7.401 0.875 350 HG12 VAL 48 2HG1 VAL 48 -8.137 -8.959 0.142 351 HG13 VAL 48 3HG1 VAL 48 -8.998 -8.422 1.585 352 HG21 VAL 48 1HG2 VAL 48 -4.931 -9.626 1.853 353 HG22 VAL 48 2HG2 VAL 48 -5.669 -9.297 0.285 354 HG23 VAL 48 3HG2 VAL 48 -5.276 -7.965 1.372 355 H ALA 49 H ALA 49 -8.585 -6.654 4.113 356 HA ALA 49 HA ALA 49 -10.403 -8.366 5.563 357 HB1 ALA 49 1HB ALA 49 -11.594 -5.899 5.486 358 HB2 ALA 49 2HB ALA 49 -10.474 -6.461 6.728 359 HB3 ALA 49 3HB ALA 49 -9.879 -5.504 5.371 360 HA PRO 50 HA PRO 50 -13.290 -9.094 2.324 361 HB2 PRO 50 1HB PRO 50 -15.534 -9.483 3.802 362 HB3 PRO 50 2HB PRO 50 -14.226 -10.669 3.711 363 HG2 PRO 50 1HG PRO 50 -14.802 -8.644 5.839 364 HG3 PRO 50 2HG PRO 50 -14.316 -10.340 6.011 365 HD2 PRO 50 1HD PRO 50 -12.567 -8.290 6.277 366 HD3 PRO 50 2HD PRO 50 -12.091 -9.873 5.630 367 H GLY 51 H GLY 51 -15.210 -8.233 1.314 368 HA2 GLY 51 1HA GLY 51 -16.571 -6.523 0.613 369 HA3 GLY 51 2HA GLY 51 -16.669 -6.040 2.300 370 H THR 52 H THR 52 -13.768 -6.181 0.291 371 HA THR 52 HA THR 52 -13.568 -3.248 0.516 372 HB THR 52 HB THR 52 -11.122 -3.484 0.629 373 HG1 THR 52 1HG THR 52 -11.497 -6.262 1.048 374 HG21 THR 52 1HG2 THR 52 -12.416 -5.187 2.755 375 HG22 THR 52 2HG2 THR 52 -12.556 -3.430 2.696 376 HG23 THR 52 3HG2 THR 52 -10.975 -4.182 2.907 377 HA PRO 53 HA PRO 53 -13.112 -3.064 -3.849 378 HB2 PRO 53 1HB PRO 53 -11.513 -0.884 -4.099 379 HB3 PRO 53 2HB PRO 53 -13.216 -0.779 -3.636 380 HG2 PRO 53 1HG PRO 53 -10.774 -0.697 -1.907 381 HG3 PRO 53 2HG PRO 53 -12.236 0.303 -1.826 382 HD2 PRO 53 1HD PRO 53 -11.816 -1.799 -0.172 383 HD3 PRO 53 2HD PRO 53 -13.437 -1.320 -0.715 384 H ALA 54 H ALA 54 -10.688 -4.067 -1.862 385 HA ALA 54 HA ALA 54 -8.652 -4.188 -3.970 386 HB1 ALA 54 1HB ALA 54 -7.372 -3.612 -2.229 387 HB2 ALA 54 2HB ALA 54 -8.584 -4.116 -1.050 388 HB3 ALA 54 3HB ALA 54 -7.496 -5.308 -1.761 389 H ASP 55 H ASP 55 -11.008 -6.089 -2.387 390 HA ASP 55 HA ASP 55 -9.737 -8.593 -3.237 391 HB2 ASP 55 1HB ASP 55 -10.832 -8.113 -0.876 392 HB3 ASP 55 2HB ASP 55 -12.314 -8.539 -1.728 393 H LEU 56 H LEU 56 -13.056 -7.279 -3.194 394 HA LEU 56 HA LEU 56 -14.236 -8.932 -5.011 395 HB2 LEU 56 1HB LEU 56 -14.669 -5.954 -4.837 396 HB3 LEU 56 2HB LEU 56 -15.794 -7.132 -5.512 397 HG LEU 56 HG LEU 56 -14.943 -7.259 -2.636 398 HD11 LEU 56 1HD1 LEU 56 -16.653 -5.822 -1.967 399 HD12 LEU 56 2HD1 LEU 56 -17.419 -5.840 -3.554 400 HD13 LEU 56 3HD1 LEU 56 -15.898 -4.981 -3.320 401 HD21 LEU 56 1HD2 LEU 56 -16.349 -8.973 -2.556 402 HD22 LEU 56 2HD2 LEU 56 -16.541 -8.853 -4.305 403 HD23 LEU 56 3HD2 LEU 56 -17.649 -7.993 -3.234 404 H CYS 57 H CYS 57 -12.031 -6.293 -5.662 405 HA CYS 57 HA CYS 57 -12.466 -6.015 -8.416 406 HB2 CYS 57 1HB CYS 57 -10.304 -4.927 -8.493 407 HB3 CYS 57 2HB CYS 57 -11.141 -4.438 -7.025 408 HG CYS 57 HG CYS 57 -8.692 -6.827 -7.133 409 H VAL 58 H VAL 58 -10.963 -6.665 -10.157 410 HA VAL 58 HA VAL 58 -9.848 -9.354 -9.692 411 HB VAL 58 HB VAL 58 -11.363 -8.393 -12.122 412 HG11 VAL 58 1HG1 VAL 58 -10.242 -9.896 -13.311 413 HG12 VAL 58 2HG1 VAL 58 -9.330 -10.392 -11.885 414 HG13 VAL 58 3HG1 VAL 58 -10.873 -11.162 -12.258 415 HG21 VAL 58 1HG2 VAL 58 -11.977 -10.360 -9.936 416 HG22 VAL 58 2HG2 VAL 58 -12.933 -8.980 -10.476 417 HG23 VAL 58 3HG2 VAL 58 -12.796 -10.411 -11.497 418 HA PRO 59 HA PRO 59 -8.414 -10.665 -10.129 419 HB2 PRO 59 1HB PRO 59 -5.927 -10.853 -9.057 420 HB3 PRO 59 2HB PRO 59 -6.286 -11.288 -10.733 421 HG2 PRO 59 1HG PRO 59 -5.098 -8.766 -9.643 422 HG3 PRO 59 2HG PRO 59 -4.623 -9.699 -11.074 423 HD2 PRO 59 1HD PRO 59 -6.124 -7.451 -11.234 424 HD3 PRO 59 2HD PRO 59 -6.302 -8.801 -12.373 425 H ARG 60 H ARG 60 -8.194 -11.377 -7.850 426 HA ARG 60 HA ARG 60 -8.921 -9.204 -6.070 427 HB2 ARG 60 1HB ARG 60 -10.303 -11.176 -5.998 428 HB3 ARG 60 2HB ARG 60 -8.904 -12.203 -5.719 429 HG2 ARG 60 1HG ARG 60 -8.627 -10.677 -3.593 430 HG3 ARG 60 2HG ARG 60 -10.355 -10.418 -3.841 431 HD2 ARG 60 1HD ARG 60 -10.453 -12.262 -2.509 432 HD3 ARG 60 2HD ARG 60 -10.338 -13.055 -4.080 433 HE ARG 60 HE ARG 60 -7.796 -12.559 -2.823 434 HH11 ARG 60 2HH1 ARG 60 -10.469 -14.767 -3.137 435 HH12 ARG 60 1HH1 ARG 60 -9.548 -16.155 -2.661 436 HH21 ARG 60 2HH2 ARG 60 -6.572 -14.379 -2.194 437 HH22 ARG 60 1HH2 ARG 60 -7.332 -15.933 -2.124 438 H LEU 61 H LEU 61 -7.506 -8.204 -4.813 439 HA LEU 61 HA LEU 61 -4.801 -8.966 -4.601 440 HB2 LEU 61 1HB LEU 61 -5.899 -6.657 -4.307 441 HB3 LEU 61 2HB LEU 61 -6.180 -7.163 -2.642 442 HG LEU 61 HG LEU 61 -3.654 -7.556 -2.526 443 HD11 LEU 61 1HD1 LEU 61 -2.353 -6.124 -4.084 444 HD12 LEU 61 2HD1 LEU 61 -3.820 -5.897 -5.036 445 HD13 LEU 61 3HD1 LEU 61 -3.122 -7.508 -4.863 446 HD21 LEU 61 1HD2 LEU 61 -3.386 -5.480 -1.614 447 HD22 LEU 61 2HD2 LEU 61 -5.146 -5.530 -1.720 448 HD23 LEU 61 3HD2 LEU 61 -4.213 -4.666 -2.942 449 H ASN 62 H ASN 62 -4.072 -10.680 -3.538 450 HA ASN 62 HA ASN 62 -5.311 -11.355 -0.950 451 HB2 ASN 62 1HB ASN 62 -5.028 -13.634 -1.367 452 HB3 ASN 62 2HB ASN 62 -5.494 -13.008 -2.946 453 HD21 ASN 62 1HD2 ASN 62 -3.939 -12.837 -4.572 454 HD22 ASN 62 2HD2 ASN 62 -2.446 -13.703 -4.496 455 H GLU 63 H GLU 63 -3.783 -12.571 0.525 456 HA GLU 63 HA GLU 63 -1.556 -10.969 1.103 457 HB2 GLU 63 1HB GLU 63 -2.063 -13.800 2.031 458 HB3 GLU 63 2HB GLU 63 -1.005 -12.624 2.798 459 HG2 GLU 63 1HG GLU 63 -2.857 -11.261 3.430 460 HG3 GLU 63 2HG GLU 63 -3.970 -12.244 2.480 461 H GLY 64 H GLY 64 0.540 -11.047 0.530 462 HA2 GLY 64 1HA GLY 64 2.463 -12.522 -0.014 463 HA3 GLY 64 2HA GLY 64 1.390 -13.326 -1.151 464 H ASP 65 H ASP 65 0.175 -10.826 -2.057 465 HA ASP 65 HA ASP 65 1.698 -10.290 -4.287 466 HB2 ASP 65 1HB ASP 65 0.364 -8.206 -4.510 467 HB3 ASP 65 2HB ASP 65 -0.626 -9.618 -4.150 468 H GLN 66 H GLN 66 3.468 -9.132 -4.717 469 HA GLN 66 HA GLN 66 4.578 -7.477 -2.555 470 HB2 GLN 66 1HB GLN 66 6.013 -9.332 -3.166 471 HB3 GLN 66 2HB GLN 66 5.945 -8.870 -4.862 472 HG2 GLN 66 1HG GLN 66 7.331 -7.046 -4.559 473 HG3 GLN 66 2HG GLN 66 7.001 -6.955 -2.829 474 HE21 GLN 66 1HE2 GLN 66 9.291 -7.704 -5.015 475 HE22 GLN 66 2HE2 GLN 66 10.241 -8.815 -4.094 476 H VAL 67 H VAL 67 3.954 -5.427 -2.881 477 HA VAL 67 HA VAL 67 3.481 -4.281 -5.433 478 HB VAL 67 HB VAL 67 3.997 -2.825 -2.839 479 HG11 VAL 67 1HG1 VAL 67 2.717 -2.023 -5.439 480 HG12 VAL 67 2HG1 VAL 67 2.483 -1.123 -3.940 481 HG13 VAL 67 3HG1 VAL 67 4.099 -1.286 -4.630 482 HG21 VAL 67 1HG2 VAL 67 1.363 -2.768 -2.983 483 HG22 VAL 67 2HG2 VAL 67 1.611 -4.269 -3.875 484 HG23 VAL 67 3HG2 VAL 67 2.210 -4.115 -2.224 485 H VAL 68 H VAL 68 4.831 -3.352 -6.831 486 HA VAL 68 HA VAL 68 7.594 -2.829 -5.949 487 HB VAL 68 HB VAL 68 6.662 -3.400 -8.764 488 HG11 VAL 68 1HG1 VAL 68 9.139 -2.447 -7.627 489 HG12 VAL 68 2HG1 VAL 68 9.373 -3.967 -8.492 490 HG13 VAL 68 3HG1 VAL 68 8.656 -2.582 -9.317 491 HG21 VAL 68 1HG2 VAL 68 6.336 -5.434 -7.682 492 HG22 VAL 68 2HG2 VAL 68 7.975 -5.576 -8.318 493 HG23 VAL 68 3HG2 VAL 68 7.720 -5.199 -6.614 494 H LEU 69 H LEU 69 5.015 -1.664 -8.094 495 HA LEU 69 HA LEU 69 5.998 1.064 -7.689 496 HB2 LEU 69 1HB LEU 69 5.367 -0.176 -10.362 497 HB3 LEU 69 2HB LEU 69 5.591 1.552 -10.095 498 HG LEU 69 HG LEU 69 7.726 -0.502 -9.543 499 HD11 LEU 69 1HD1 LEU 69 7.239 1.142 -12.021 500 HD12 LEU 69 2HD1 LEU 69 7.222 -0.616 -11.890 501 HD13 LEU 69 3HD1 LEU 69 8.731 0.268 -11.671 502 HD21 LEU 69 1HD2 LEU 69 7.585 2.485 -9.557 503 HD22 LEU 69 2HD2 LEU 69 9.107 1.666 -9.905 504 HD23 LEU 69 3HD2 LEU 69 8.296 1.402 -8.361 505 H ILE 70 H ILE 70 4.414 2.476 -7.273 506 HA ILE 70 HA ILE 70 1.645 1.545 -7.575 507 HB ILE 70 HB ILE 70 2.848 3.657 -5.790 508 HG12 ILE 70 1HG1 ILE 70 1.265 1.193 -5.055 509 HG13 ILE 70 2HG1 ILE 70 3.020 1.194 -5.189 510 HG21 ILE 70 1HG2 ILE 70 0.013 3.126 -6.541 511 HG22 ILE 70 2HG2 ILE 70 0.386 3.639 -4.896 512 HG23 ILE 70 3HG2 ILE 70 0.837 4.660 -6.261 513 HD11 ILE 70 1HD1 ILE 70 3.078 2.985 -3.466 514 HD12 ILE 70 2HD1 ILE 70 1.338 2.772 -3.263 515 HD13 ILE 70 3HD1 ILE 70 2.439 1.444 -2.896 516 H ASN 71 H ASN 71 0.821 2.190 -9.467 517 HA ASN 71 HA ASN 71 0.124 3.525 -11.171 518 HB2 ASN 71 1HB ASN 71 0.358 5.467 -8.895 519 HB3 ASN 71 2HB ASN 71 -0.044 6.050 -10.508 520 HD21 ASN 71 1HD2 ASN 71 -1.114 4.253 -7.761 521 HD22 ASN 71 2HD2 ASN 71 -2.761 4.077 -8.253 522 H GLY 72 H GLY 72 2.944 2.898 -10.954 523 HA2 GLY 72 1HA GLY 72 4.788 3.371 -12.264 524 HA3 GLY 72 2HA GLY 72 3.923 4.760 -12.907 525 H ARG 73 H ARG 73 4.791 3.983 -9.555 526 HA ARG 73 HA ARG 73 6.639 6.259 -9.539 527 HB2 ARG 73 1HB ARG 73 4.155 5.948 -7.926 528 HB3 ARG 73 2HB ARG 73 5.561 6.645 -7.134 529 HG2 ARG 73 1HG ARG 73 4.651 7.712 -9.769 530 HG3 ARG 73 2HG ARG 73 3.831 8.191 -8.282 531 HD2 ARG 73 1HD ARG 73 5.452 9.837 -8.557 532 HD3 ARG 73 2HD ARG 73 6.191 8.724 -7.406 533 HE ARG 73 HE ARG 73 6.880 8.086 -10.098 534 HH11 ARG 73 2HH1 ARG 73 7.612 10.228 -7.453 535 HH12 ARG 73 1HH1 ARG 73 9.240 10.520 -7.969 536 HH21 ARG 73 2HH2 ARG 73 9.021 8.463 -10.788 537 HH22 ARG 73 1HH2 ARG 73 10.040 9.517 -9.867 538 H ASP 74 H ASP 74 8.447 5.919 -8.380 539 HA ASP 74 HA ASP 74 8.971 3.308 -7.361 540 HB2 ASP 74 1HB ASP 74 11.152 4.442 -6.595 541 HB3 ASP 74 2HB ASP 74 10.832 4.366 -8.325 542 H ILE 75 H ILE 75 7.593 2.900 -5.648 543 HA ILE 75 HA ILE 75 7.649 4.698 -3.349 544 HB ILE 75 HB ILE 75 5.852 3.377 -2.434 545 HG12 ILE 75 1HG1 ILE 75 4.980 1.523 -4.143 546 HG13 ILE 75 2HG1 ILE 75 6.691 1.456 -4.553 547 HG21 ILE 75 1HG2 ILE 75 4.687 3.382 -5.053 548 HG22 ILE 75 2HG2 ILE 75 4.418 4.491 -3.710 549 HG23 ILE 75 3HG2 ILE 75 5.725 4.793 -4.854 550 HD11 ILE 75 1HD1 ILE 75 5.810 -0.155 -2.781 551 HD12 ILE 75 2HD1 ILE 75 7.290 0.736 -2.422 552 HD13 ILE 75 3HD1 ILE 75 5.758 1.250 -1.716 553 H ALA 76 H ALA 76 9.629 2.403 -4.421 554 HA ALA 76 HA ALA 76 9.919 0.680 -2.174 555 HB1 ALA 76 1HB ALA 76 11.349 1.164 -4.699 556 HB2 ALA 76 2HB ALA 76 12.331 0.532 -3.377 557 HB3 ALA 76 3HB ALA 76 10.903 -0.352 -3.916 558 H GLU 77 H GLU 77 11.652 3.583 -3.266 559 HA GLU 77 HA GLU 77 13.549 3.624 -1.185 560 HB2 GLU 77 1HB GLU 77 13.950 4.923 -3.157 561 HB3 GLU 77 2HB GLU 77 12.452 5.818 -2.942 562 HG2 GLU 77 1HG GLU 77 14.077 7.308 -2.242 563 HG3 GLU 77 2HG GLU 77 13.479 6.618 -0.734 564 H HIS 78 H HIS 78 10.257 4.763 -1.400 565 HA HIS 78 HA HIS 78 10.323 6.420 0.914 566 HB2 HIS 78 1HB HIS 78 8.082 5.164 -0.663 567 HB3 HIS 78 2HB HIS 78 7.783 6.135 0.776 568 HD1 HIS 78 1HD HIS 78 7.500 6.569 -2.607 569 HD2 HIS 78 2HD HIS 78 9.567 8.718 0.285 570 HE1 HIS 78 1HE HIS 78 7.841 8.859 -3.587 571 HE2 HIS 78 2HE HIS 78 9.168 10.116 -1.854 572 H THR 79 H THR 79 9.697 6.000 3.007 573 HA THR 79 HA THR 79 10.061 3.306 3.915 574 HB THR 79 HB THR 79 9.612 4.258 6.180 575 HG1 THR 79 1HG THR 79 9.514 6.633 6.199 576 HG21 THR 79 1HG2 THR 79 11.850 4.426 4.720 577 HG22 THR 79 2HG2 THR 79 11.728 5.075 6.356 578 HG23 THR 79 3HG2 THR 79 11.547 6.146 4.967 579 H HIS 80 H HIS 80 8.492 2.432 5.625 580 HA HIS 80 HA HIS 80 6.105 1.712 4.442 581 HB2 HIS 80 1HB HIS 80 7.191 0.584 6.401 582 HB3 HIS 80 2HB HIS 80 6.577 1.879 7.424 583 HD1 HIS 80 1HD HIS 80 5.561 -1.236 5.695 584 HD2 HIS 80 2HD HIS 80 3.763 1.851 7.816 585 HE1 HIS 80 1HE HIS 80 3.246 -2.054 6.241 586 HE2 HIS 80 2HE HIS 80 2.149 -0.136 7.450 587 H ASP 81 H ASP 81 6.547 4.124 7.031 588 HA ASP 81 HA ASP 81 3.930 4.991 7.240 589 HB2 ASP 81 1HB ASP 81 6.584 6.239 7.774 590 HB3 ASP 81 2HB ASP 81 5.167 7.285 7.777 591 H GLN 82 H GLN 82 6.475 6.193 5.074 592 HA GLN 82 HA GLN 82 4.993 8.238 3.870 593 HB2 GLN 82 1HB GLN 82 7.314 6.582 2.897 594 HB3 GLN 82 2HB GLN 82 6.617 7.874 1.928 595 HG2 GLN 82 1HG GLN 82 7.534 8.384 4.728 596 HG3 GLN 82 2HG GLN 82 8.676 8.373 3.384 597 HE21 GLN 82 1HE2 GLN 82 8.597 9.998 1.855 598 HE22 GLN 82 2HE2 GLN 82 7.698 11.454 2.091 599 H VAL 83 H VAL 83 5.720 5.021 2.502 600 HA VAL 83 HA VAL 83 4.265 4.976 0.257 601 HB VAL 83 HB VAL 83 4.318 2.785 2.335 602 HG11 VAL 83 1HG1 VAL 83 3.994 1.862 -0.367 603 HG12 VAL 83 2HG1 VAL 83 3.002 1.532 1.055 604 HG13 VAL 83 3HG1 VAL 83 2.682 2.958 0.067 605 HG21 VAL 83 1HG2 VAL 83 6.500 3.582 1.396 606 HG22 VAL 83 2HG2 VAL 83 6.146 1.880 1.097 607 HG23 VAL 83 3HG2 VAL 83 5.934 3.065 -0.193 608 H VAL 84 H VAL 84 2.781 3.867 3.309 609 HA VAL 84 HA VAL 84 0.206 3.583 2.646 610 HB VAL 84 HB VAL 84 1.178 5.062 5.094 611 HG11 VAL 84 1HG1 VAL 84 -1.272 5.338 4.503 612 HG12 VAL 84 2HG1 VAL 84 -1.436 3.606 4.795 613 HG13 VAL 84 3HG1 VAL 84 -0.921 4.677 6.099 614 HG21 VAL 84 1HG2 VAL 84 2.177 2.966 5.180 615 HG22 VAL 84 2HG2 VAL 84 0.690 2.732 6.099 616 HG23 VAL 84 3HG2 VAL 84 0.794 2.166 4.432 617 H LEU 85 H LEU 85 1.550 6.750 3.596 618 HA LEU 85 HA LEU 85 -0.758 8.233 2.990 619 HB2 LEU 85 1HB LEU 85 2.108 8.853 3.448 620 HB3 LEU 85 2HB LEU 85 1.113 10.096 2.692 621 HG LEU 85 HG LEU 85 -0.440 9.881 4.677 622 HD11 LEU 85 1HD1 LEU 85 0.256 8.786 6.626 623 HD12 LEU 85 2HD1 LEU 85 1.898 8.564 6.023 624 HD13 LEU 85 3HD1 LEU 85 0.571 7.633 5.330 625 HD21 LEU 85 1HD2 LEU 85 0.669 11.806 4.969 626 HD22 LEU 85 2HD2 LEU 85 2.226 11.089 4.550 627 HD23 LEU 85 3HD2 LEU 85 1.583 10.912 6.184 628 H PHE 86 H PHE 86 2.175 7.615 1.081 629 HA PHE 86 HA PHE 86 1.791 9.136 -1.124 630 HB2 PHE 86 1HB PHE 86 3.537 7.227 -0.577 631 HB3 PHE 86 2HB PHE 86 2.472 6.266 -1.597 632 HD1 PHE 86 2HD PHE 86 2.144 6.871 -3.961 633 HD2 PHE 86 1HD PHE 86 4.959 8.896 -1.492 634 HE1 PHE 86 2HE PHE 86 3.244 7.779 -5.965 635 HE2 PHE 86 1HE PHE 86 6.063 9.808 -3.493 636 HZ PHE 86 HZ PHE 86 5.207 9.248 -5.734 637 H ILE 87 H ILE 87 0.250 5.992 -0.527 638 HA ILE 87 HA ILE 87 -1.166 5.773 -2.913 639 HB ILE 87 HB ILE 87 -2.073 4.823 -0.193 640 HG12 ILE 87 1HG1 ILE 87 -0.658 3.111 -2.204 641 HG13 ILE 87 2HG1 ILE 87 0.281 4.161 -1.149 642 HG21 ILE 87 1HG2 ILE 87 -3.408 4.784 -2.632 643 HG22 ILE 87 2HG2 ILE 87 -2.755 3.156 -2.451 644 HG23 ILE 87 3HG2 ILE 87 -3.794 3.834 -1.197 645 HD11 ILE 87 1HD1 ILE 87 -1.210 1.698 -0.537 646 HD12 ILE 87 2HD1 ILE 87 0.279 2.335 0.163 647 HD13 ILE 87 3HD1 ILE 87 -1.282 2.977 0.674 648 H LYS 88 H LYS 88 -2.254 7.138 0.193 649 HA LYS 88 HA LYS 88 -4.814 7.857 -0.413 650 HB2 LYS 88 1HB LYS 88 -2.728 9.277 1.228 651 HB3 LYS 88 2HB LYS 88 -4.372 9.889 1.101 652 HG2 LYS 88 1HG LYS 88 -5.266 7.954 2.138 653 HG3 LYS 88 2HG LYS 88 -3.725 7.101 2.021 654 HD2 LYS 88 1HD LYS 88 -2.720 8.552 3.633 655 HD3 LYS 88 2HD LYS 88 -4.121 9.626 3.619 656 HE2 LYS 88 1HE LYS 88 -5.429 7.520 4.370 657 HE3 LYS 88 2HE LYS 88 -3.841 6.890 4.806 658 HZ1 LYS 88 1HZ LYS 88 -5.460 8.699 6.226 659 HZ2 LYS 88 2HZ LYS 88 -4.016 9.478 5.815 660 HZ3 LYS 88 3HZ LYS 88 -3.977 8.027 6.684 661 H ALA 89 H ALA 89 -1.866 9.627 -1.256 662 HA ALA 89 HA ALA 89 -2.799 11.972 -2.244 663 HB1 ALA 89 1HB ALA 89 -0.917 10.725 -4.099 664 HB2 ALA 89 2HB ALA 89 -0.761 12.197 -3.140 665 HB3 ALA 89 3HB ALA 89 -0.424 10.629 -2.408 666 H SER 90 H SER 90 -2.560 8.977 -4.170 667 HA SER 90 HA SER 90 -3.619 9.806 -6.538 668 HB2 SER 90 1HB SER 90 -3.679 7.217 -5.070 669 HB3 SER 90 2HB SER 90 -4.749 7.382 -6.462 670 HG SER 90 HG SER 90 -2.116 8.225 -6.780 671 H CYS 91 H CYS 91 -5.464 8.724 -3.700 672 HA CYS 91 HA CYS 91 -8.022 8.896 -4.736 673 HB2 CYS 91 1HB CYS 91 -7.575 7.950 -2.538 674 HB3 CYS 91 2HB CYS 91 -7.080 9.526 -1.932 675 HG CYS 91 HG CYS 91 -10.204 9.333 -3.187 676 H GLU 92 H GLU 92 -6.213 11.442 -3.020 677 HA GLU 92 HA GLU 92 -7.948 13.493 -2.950 678 HB2 GLU 92 1HB GLU 92 -5.580 13.630 -2.242 679 HB3 GLU 92 2HB GLU 92 -5.099 13.744 -3.929 680 HG2 GLU 92 1HG GLU 92 -5.078 15.932 -2.987 681 HG3 GLU 92 2HG GLU 92 -6.427 15.827 -4.116 682 H ARG 93 H ARG 93 -5.851 12.942 -5.786 683 HA ARG 93 HA ARG 93 -6.988 14.815 -7.472 684 HB2 ARG 93 1HB ARG 93 -5.776 12.135 -8.167 685 HB3 ARG 93 2HB ARG 93 -6.123 13.403 -9.336 686 HG2 ARG 93 1HG ARG 93 -4.555 14.888 -8.214 687 HG3 ARG 93 2HG ARG 93 -4.224 13.639 -7.011 688 HD2 ARG 93 1HD ARG 93 -2.457 13.550 -8.589 689 HD3 ARG 93 2HD ARG 93 -3.493 12.159 -8.908 690 HE ARG 93 HE ARG 93 -4.129 14.468 -10.498 691 HH11 ARG 93 2HH1 ARG 93 -2.142 11.621 -10.246 692 HH12 ARG 93 1HH1 ARG 93 -1.871 11.500 -11.953 693 HH21 ARG 93 2HH2 ARG 93 -3.779 14.320 -12.747 694 HH22 ARG 93 1HH2 ARG 93 -2.802 13.037 -13.374 695 H HIS 94 H HIS 94 -7.772 11.338 -7.312 696 HA HIS 94 HA HIS 94 -9.635 10.169 -7.891 697 HB2 HIS 94 1HB HIS 94 -10.548 12.021 -6.268 698 HB3 HIS 94 2HB HIS 94 -11.291 12.660 -7.731 699 HD1 HIS 94 1HD HIS 94 -13.693 12.088 -7.285 700 HD2 HIS 94 2HD HIS 94 -11.162 8.827 -6.816 701 HE1 HIS 94 1HE HIS 94 -15.205 10.103 -6.978 702 HE2 HIS 94 2HE HIS 94 -13.651 8.155 -6.611 703 H SER 95 H SER 95 -8.091 11.120 -10.004 704 HA SER 95 HA SER 95 -9.959 12.131 -12.005 705 HB2 SER 95 1HB SER 95 -6.978 11.766 -11.910 706 HB3 SER 95 2HB SER 95 -7.799 11.981 -13.456 707 HG SER 95 HG SER 95 -8.452 13.982 -12.841 708 H GLY 96 H GLY 96 -7.812 9.338 -11.503 709 HA2 GLY 96 1HA GLY 96 -9.540 7.824 -13.359 710 HA3 GLY 96 2HA GLY 96 -7.789 7.679 -13.412 711 H GLU 97 H GLU 97 -8.005 5.419 -13.052 712 HA GLU 97 HA GLU 97 -8.993 4.625 -10.411 713 HB2 GLU 97 1HB GLU 97 -8.527 3.211 -12.989 714 HB3 GLU 97 2HB GLU 97 -8.360 2.280 -11.507 715 HG2 GLU 97 1HG GLU 97 -10.643 3.027 -10.860 716 HG3 GLU 97 2HG GLU 97 -10.794 3.774 -12.449 717 H LEU 98 H LEU 98 -7.651 2.715 -9.454 718 HA LEU 98 HA LEU 98 -4.927 3.719 -9.155 719 HB2 LEU 98 1HB LEU 98 -6.611 3.080 -7.258 720 HB3 LEU 98 2HB LEU 98 -6.043 1.443 -7.579 721 HG LEU 98 HG LEU 98 -3.678 2.599 -7.256 722 HD11 LEU 98 1HD1 LEU 98 -3.866 4.734 -6.642 723 HD12 LEU 98 2HD1 LEU 98 -4.411 4.117 -5.083 724 HD13 LEU 98 3HD1 LEU 98 -5.591 4.576 -6.311 725 HD21 LEU 98 1HD2 LEU 98 -3.962 0.874 -5.827 726 HD22 LEU 98 2HD2 LEU 98 -5.603 1.355 -5.397 727 HD23 LEU 98 3HD2 LEU 98 -4.223 2.172 -4.662 728 H MET 99 H MET 99 -3.090 2.448 -9.423 729 HA MET 99 HA MET 99 -3.460 -0.191 -10.648 730 HB2 MET 99 1HB MET 99 -1.981 2.152 -11.805 731 HB3 MET 99 2HB MET 99 -1.506 0.507 -12.207 732 HG2 MET 99 1HG MET 99 -3.614 0.049 -13.195 733 HG3 MET 99 2HG MET 99 -4.298 1.549 -12.575 734 HE1 MET 99 1HE MET 99 -2.389 0.215 -16.041 735 HE2 MET 99 2HE MET 99 -3.947 -0.067 -15.262 736 HE3 MET 99 3HE MET 99 -3.805 1.142 -16.540 737 H LEU 100 H LEU 100 -2.504 -1.498 -9.222 738 HA LEU 100 HA LEU 100 0.112 -0.698 -8.130 739 HB2 LEU 100 1HB LEU 100 -1.671 -2.808 -6.959 740 HB3 LEU 100 2HB LEU 100 -0.327 -1.959 -6.197 741 HG LEU 100 HG LEU 100 -2.801 -0.476 -7.008 742 HD11 LEU 100 1HD1 LEU 100 -3.247 -2.569 -5.540 743 HD12 LEU 100 2HD1 LEU 100 -3.943 -1.017 -5.077 744 HD13 LEU 100 3HD1 LEU 100 -2.497 -1.613 -4.261 745 HD21 LEU 100 1HD2 LEU 100 -2.087 0.873 -4.997 746 HD22 LEU 100 2HD2 LEU 100 -1.000 0.927 -6.385 747 HD23 LEU 100 3HD2 LEU 100 -0.603 -0.079 -4.992 748 H LEU 101 H LEU 101 1.741 -1.675 -9.122 749 HA LEU 101 HA LEU 101 1.362 -4.167 -10.534 750 HB2 LEU 101 1HB LEU 101 2.760 -2.254 -11.369 751 HB3 LEU 101 2HB LEU 101 3.924 -2.645 -10.104 752 HG LEU 101 HG LEU 101 4.191 -4.897 -11.139 753 HD11 LEU 101 1HD1 LEU 101 3.380 -5.259 -13.397 754 HD12 LEU 101 2HD1 LEU 101 2.571 -3.692 -13.379 755 HD13 LEU 101 3HD1 LEU 101 2.031 -4.976 -12.296 756 HD21 LEU 101 1HD2 LEU 101 4.781 -2.846 -13.228 757 HD22 LEU 101 2HD2 LEU 101 5.784 -4.172 -12.638 758 HD23 LEU 101 3HD2 LEU 101 5.554 -2.731 -11.646 759 H VAL 102 H VAL 102 1.160 -5.887 -9.210 760 HA VAL 102 HA VAL 102 3.157 -6.243 -7.078 761 HB VAL 102 HB VAL 102 1.638 -7.892 -6.104 762 HG11 VAL 102 1HG1 VAL 102 0.245 -5.292 -6.741 763 HG12 VAL 102 2HG1 VAL 102 -0.129 -6.370 -5.394 764 HG13 VAL 102 3HG1 VAL 102 1.427 -5.540 -5.455 765 HG21 VAL 102 1HG2 VAL 102 -0.443 -7.131 -8.124 766 HG22 VAL 102 2HG2 VAL 102 0.660 -8.477 -8.413 767 HG23 VAL 102 3HG2 VAL 102 -0.419 -8.504 -7.018 768 H ARG 103 H ARG 103 4.052 -8.378 -6.754 769 HA ARG 103 HA ARG 103 4.487 -9.750 -9.306 770 HB2 ARG 103 1HB ARG 103 6.454 -8.913 -8.017 771 HB3 ARG 103 2HB ARG 103 6.030 -10.025 -6.722 772 HG2 ARG 103 1HG ARG 103 6.538 -11.909 -8.026 773 HG3 ARG 103 2HG ARG 103 6.562 -10.968 -9.519 774 HD2 ARG 103 1HD ARG 103 8.509 -9.689 -8.467 775 HD3 ARG 103 2HD ARG 103 8.573 -11.000 -7.289 776 HE ARG 103 HE ARG 103 9.353 -11.112 -10.074 777 HH11 ARG 103 2HH1 ARG 103 8.532 -12.897 -7.200 778 HH12 ARG 103 1HH1 ARG 103 9.335 -14.344 -7.711 779 HH21 ARG 103 2HH2 ARG 103 10.415 -13.011 -10.758 780 HH22 ARG 103 1HH2 ARG 103 10.407 -14.408 -9.735 781 HA PRO 104 HA PRO 104 1.904 -13.081 -7.944 782 HB2 PRO 104 1HB PRO 104 2.556 -14.828 -9.917 783 HB3 PRO 104 2HB PRO 104 1.482 -13.448 -10.172 784 HG2 PRO 104 1HG PRO 104 4.393 -13.726 -10.812 785 HG3 PRO 104 2HG PRO 104 3.097 -13.009 -11.787 786 HD2 PRO 104 1HD PRO 104 4.832 -11.513 -10.344 787 HD3 PRO 104 2HD PRO 104 3.149 -11.021 -10.622 788 H ASN 105 H ASN 105 2.247 -14.591 -6.440 789 HA ASN 105 HA ASN 105 4.913 -15.839 -6.298 790 HB2 ASN 105 1HB ASN 105 4.145 -14.278 -4.403 791 HB3 ASN 105 2HB ASN 105 3.027 -15.567 -3.964 792 HD21 ASN 105 1HD2 ASN 105 3.997 -15.960 -2.003 793 HD22 ASN 105 2HD2 ASN 105 5.550 -16.703 -1.859 794 H ALA 106 H ALA 106 4.298 -17.559 -7.672 795 HA ALA 106 HA ALA 106 2.168 -19.167 -7.754 796 HB1 ALA 106 1HB ALA 106 4.729 -19.402 -8.636 797 HB2 ALA 106 2HB ALA 106 4.619 -20.756 -7.511 798 HB3 ALA 106 3HB ALA 106 3.475 -20.625 -8.847 799 H VAL 107 H VAL 107 0.948 -20.206 -6.330 800 HA VAL 107 HA VAL 107 2.214 -21.268 -3.890 801 HB VAL 107 HB VAL 107 -0.512 -19.978 -4.087 802 HG11 VAL 107 1HG1 VAL 107 0.808 -20.893 -1.557 803 HG12 VAL 107 2HG1 VAL 107 -0.892 -20.525 -1.856 804 HG13 VAL 107 3HG1 VAL 107 -0.177 -21.995 -2.519 805 HG21 VAL 107 1HG2 VAL 107 2.116 -18.939 -3.488 806 HG22 VAL 107 2HG2 VAL 107 0.593 -18.080 -3.718 807 HG23 VAL 107 3HG2 VAL 107 1.014 -18.718 -2.129 808 H TYR 108 H TYR 108 2.168 -23.411 -4.022 809 HA TYR 108 HA TYR 108 -0.172 -24.706 -5.249 810 HB2 TYR 108 1HB TYR 108 1.254 -26.638 -5.635 811 HB3 TYR 108 2HB TYR 108 2.014 -25.197 -6.301 812 HD1 TYR 108 2HD TYR 108 2.063 -27.500 -3.390 813 HD2 TYR 108 1HD TYR 108 4.171 -24.553 -5.621 814 HE1 TYR 108 2HE TYR 108 4.098 -27.985 -2.096 815 HE2 TYR 108 1HE TYR 108 6.212 -25.030 -4.334 816 HH TYR 108 HH TYR 108 6.453 -26.233 -1.646 817 H ASP 109 H ASP 109 -1.147 -26.484 -4.230 818 HA ASP 109 HA ASP 109 -0.306 -27.427 -1.670 819 HB2 ASP 109 1HB ASP 109 -2.535 -25.416 -1.840 820 HB3 ASP 109 2HB ASP 109 -2.510 -26.629 -0.563 821 H VAL 110 H VAL 110 -2.266 -28.714 -0.644 822 HA VAL 110 HA VAL 110 -3.749 -30.034 -2.818 823 HB VAL 110 HB VAL 110 -2.345 -31.422 -0.531 824 HG11 VAL 110 1HG1 VAL 110 -3.134 -33.382 -2.237 825 HG12 VAL 110 2HG1 VAL 110 -4.015 -32.905 -0.784 826 HG13 VAL 110 3HG1 VAL 110 -4.487 -32.257 -2.356 827 HG21 VAL 110 1HG2 VAL 110 -1.763 -31.178 -3.461 828 HG22 VAL 110 2HG2 VAL 110 -0.683 -30.929 -2.090 829 HG23 VAL 110 3HG2 VAL 110 -1.188 -32.560 -2.529 830 H VAL 111 H VAL 111 -5.800 -30.757 -2.330 831 HA VAL 111 HA VAL 111 -6.907 -29.745 0.193 832 HB VAL 111 HB VAL 111 -8.334 -30.565 -2.342 833 HG11 VAL 111 1HG1 VAL 111 -10.332 -30.137 -1.345 834 HG12 VAL 111 2HG1 VAL 111 -9.437 -30.671 0.079 835 HG13 VAL 111 3HG1 VAL 111 -9.651 -28.948 -0.236 836 HG21 VAL 111 1HG2 VAL 111 -7.598 -27.874 -1.211 837 HG22 VAL 111 2HG2 VAL 111 -7.135 -28.559 -2.769 838 HG23 VAL 111 3HG2 VAL 111 -8.811 -28.094 -2.472 839 H GLU 112 H GLU 112 -7.903 -31.043 1.649 840 HA GLU 112 HA GLU 112 -7.926 -33.929 1.054 841 HB2 GLU 112 1HB GLU 112 -7.294 -32.407 3.559 842 HB3 GLU 112 2HB GLU 112 -7.884 -34.060 3.661 843 HG2 GLU 112 1HG GLU 112 -6.000 -34.675 2.080 844 HG3 GLU 112 2HG GLU 112 -5.354 -33.066 2.393 845 H GLU 113 H GLU 113 -9.947 -34.505 0.571 846 HA GLU 113 HA GLU 113 -12.000 -34.440 2.498 847 HB2 GLU 113 1HB GLU 113 -12.088 -32.053 1.850 848 HB3 GLU 113 2HB GLU 113 -12.389 -32.531 0.185 849 HG2 GLU 113 1HG GLU 113 -14.474 -31.941 1.118 850 HG3 GLU 113 2HG GLU 113 -14.453 -33.699 0.992 851 H SER 114 H SER 114 -12.827 -36.378 2.115 852 HA SER 114 HA SER 114 -13.147 -37.270 -0.666 853 HB2 SER 114 1HB SER 114 -13.038 -38.839 1.919 854 HB3 SER 114 2HB SER 114 -13.359 -39.555 0.339 855 HG SER 114 HG SER 114 -11.295 -38.645 -0.311 856 H GLY 115 H GLY 115 -15.112 -36.988 -1.481 857 HA2 GLY 115 1HA GLY 115 -17.429 -37.536 0.264 858 HA3 GLY 115 2HA GLY 115 -17.399 -36.130 -0.790 859 HA PRO 116 HA PRO 116 -19.212 -39.958 -2.921 860 HB2 PRO 116 1HB PRO 116 -21.794 -39.126 -3.019 861 HB3 PRO 116 2HB PRO 116 -21.141 -40.074 -1.678 862 HG2 PRO 116 1HG PRO 116 -21.594 -37.121 -1.865 863 HG3 PRO 116 2HG PRO 116 -21.932 -38.221 -0.516 864 HD2 PRO 116 1HD PRO 116 -19.741 -36.632 -0.586 865 HD3 PRO 116 2HD PRO 116 -19.739 -38.227 0.193 866 H SER 117 H SER 117 -19.369 -39.990 -5.099 867 HA SER 117 HA SER 117 -19.024 -37.525 -6.535 868 HB2 SER 117 1HB SER 117 -17.836 -39.592 -7.192 869 HB3 SER 117 2HB SER 117 -19.382 -40.341 -7.592 870 HG SER 117 HG SER 117 -17.968 -39.114 -9.268 871 H SER 118 H SER 118 -21.483 -40.103 -6.568 872 HA SER 118 HA SER 118 -23.258 -38.486 -8.184 873 HB2 SER 118 1HB SER 118 -23.267 -41.286 -7.149 874 HB3 SER 118 2HB SER 118 -24.813 -40.554 -7.577 875 HG SER 118 HG SER 118 -23.412 -39.951 -9.587 876 H GLY 119 H GLY 119 -25.075 -37.440 -7.517 877 HA2 GLY 119 1HA GLY 119 -26.799 -36.829 -6.051 878 HA3 GLY 119 2HA GLY 119 -26.029 -37.777 -4.787 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -19.624 20.525 -14.726 2 HA2 GLY 1 1HA GLY 1 -19.176 20.052 -17.519 3 HA3 GLY 1 2HA GLY 1 -18.138 20.969 -16.437 4 H SER 2 H SER 2 -16.161 20.151 -16.776 5 HA SER 2 HA SER 2 -14.412 18.698 -16.652 6 HB2 SER 2 1HB SER 2 -15.640 17.964 -14.541 7 HB3 SER 2 2HB SER 2 -16.309 16.647 -15.505 8 HG SER 2 HG SER 2 -14.469 15.871 -14.563 9 H SER 3 H SER 3 -15.791 18.919 -19.043 10 HA SER 3 HA SER 3 -16.178 16.233 -20.091 11 HB2 SER 3 1HB SER 3 -16.371 18.900 -21.511 12 HB3 SER 3 2HB SER 3 -16.907 17.342 -22.140 13 HG SER 3 HG SER 3 -18.444 18.917 -20.967 14 H GLY 4 H GLY 4 -13.989 15.509 -19.828 15 HA2 GLY 4 1HA GLY 4 -12.334 16.252 -22.123 16 HA3 GLY 4 2HA GLY 4 -11.618 16.427 -20.528 17 H SER 5 H SER 5 -10.537 14.767 -22.489 18 HA SER 5 HA SER 5 -11.082 12.095 -21.368 19 HB2 SER 5 1HB SER 5 -10.678 11.097 -23.467 20 HB3 SER 5 2HB SER 5 -11.666 12.509 -23.839 21 HG SER 5 HG SER 5 -9.904 13.550 -24.616 22 H SER 6 H SER 6 -9.373 10.863 -20.715 23 HA SER 6 HA SER 6 -6.657 11.804 -21.214 24 HB2 SER 6 1HB SER 6 -6.066 11.738 -18.830 25 HB3 SER 6 2HB SER 6 -7.331 12.929 -19.129 26 HG SER 6 HG SER 6 -7.748 10.287 -18.175 27 H GLY 7 H GLY 7 -5.032 10.219 -20.803 28 HA2 GLY 7 1HA GLY 7 -5.712 7.594 -19.886 29 HA3 GLY 7 2HA GLY 7 -5.585 7.661 -21.637 30 H ASN 8 H ASN 8 -3.921 6.033 -20.175 31 HA ASN 8 HA ASN 8 -1.334 7.217 -20.806 32 HB2 ASN 8 1HB ASN 8 -0.334 6.724 -18.693 33 HB3 ASN 8 2HB ASN 8 -1.808 7.628 -18.358 34 HD21 ASN 8 1HD2 ASN 8 -0.081 5.409 -17.029 35 HD22 ASN 8 2HD2 ASN 8 -1.276 4.322 -16.415 36 H GLY 9 H GLY 9 0.424 5.567 -20.770 37 HA2 GLY 9 1HA GLY 9 -0.027 2.817 -20.581 38 HA3 GLY 9 2HA GLY 9 -0.342 3.285 -22.245 39 H GLY 10 H GLY 10 1.604 1.515 -21.934 40 HA2 GLY 10 1HA GLY 10 3.714 1.815 -23.245 41 HA3 GLY 10 2HA GLY 10 4.093 3.099 -22.108 42 H ILE 11 H ILE 11 2.954 -0.269 -21.817 43 HA ILE 11 HA ILE 11 4.792 -0.663 -19.590 44 HB ILE 11 HB ILE 11 2.692 -2.508 -20.736 45 HG12 ILE 11 1HG1 ILE 11 1.777 -0.481 -19.666 46 HG13 ILE 11 2HG1 ILE 11 1.397 -1.932 -18.746 47 HG21 ILE 11 1HG2 ILE 11 4.468 -3.775 -19.690 48 HG22 ILE 11 2HG2 ILE 11 4.380 -2.761 -18.251 49 HG23 ILE 11 3HG2 ILE 11 3.029 -3.812 -18.672 50 HD11 ILE 11 1HD1 ILE 11 3.320 -1.393 -17.257 51 HD12 ILE 11 2HD1 ILE 11 3.477 0.141 -18.113 52 HD13 ILE 11 3HD1 ILE 11 2.003 -0.221 -17.215 53 HA PRO 12 HA PRO 12 7.827 -2.566 -22.200 54 HB2 PRO 12 1HB PRO 12 9.394 -3.548 -20.212 55 HB3 PRO 12 2HB PRO 12 9.369 -1.838 -20.660 56 HG2 PRO 12 1HG PRO 12 7.969 -3.227 -18.407 57 HG3 PRO 12 2HG PRO 12 8.826 -1.675 -18.404 58 HD2 PRO 12 1HD PRO 12 6.127 -1.849 -18.540 59 HD3 PRO 12 2HD PRO 12 7.041 -0.544 -19.325 60 H HIS 13 H HIS 13 8.372 -4.611 -22.925 61 HA HIS 13 HA HIS 13 6.567 -6.662 -22.749 62 HB2 HIS 13 1HB HIS 13 8.489 -6.427 -24.384 63 HB3 HIS 13 2HB HIS 13 9.527 -7.116 -23.139 64 HD1 HIS 13 1HD HIS 13 9.138 -9.632 -22.537 65 HD2 HIS 13 2HD HIS 13 6.885 -8.239 -25.738 66 HE1 HIS 13 1HE HIS 13 8.248 -11.688 -23.678 67 HE2 HIS 13 2HE HIS 13 6.959 -10.824 -25.661 68 H ASP 14 H ASP 14 5.852 -7.289 -20.770 69 HA ASP 14 HA ASP 14 7.573 -9.020 -19.241 70 HB2 ASP 14 1HB ASP 14 6.758 -6.329 -18.227 71 HB3 ASP 14 2HB ASP 14 6.826 -7.674 -17.092 72 H ASN 15 H ASN 15 6.289 -9.796 -17.205 73 HA ASN 15 HA ASN 15 3.465 -10.127 -17.981 74 HB2 ASN 15 1HB ASN 15 5.204 -12.207 -16.639 75 HB3 ASN 15 2HB ASN 15 3.541 -12.415 -17.178 76 HD21 ASN 15 1HD2 ASN 15 6.860 -12.138 -18.152 77 HD22 ASN 15 2HD2 ASN 15 6.642 -12.685 -19.776 78 H LEU 16 H LEU 16 4.191 -8.074 -16.314 79 HA LEU 16 HA LEU 16 3.939 -8.881 -13.558 80 HB2 LEU 16 1HB LEU 16 4.301 -6.332 -15.028 81 HB3 LEU 16 2HB LEU 16 3.566 -6.246 -13.428 82 HG LEU 16 HG LEU 16 6.009 -5.835 -13.427 83 HD11 LEU 16 1HD1 LEU 16 5.082 -6.548 -11.380 84 HD12 LEU 16 2HD1 LEU 16 6.521 -7.536 -11.628 85 HD13 LEU 16 3HD1 LEU 16 4.923 -8.212 -11.941 86 HD21 LEU 16 1HD2 LEU 16 7.088 -7.114 -14.952 87 HD22 LEU 16 2HD2 LEU 16 5.983 -8.476 -14.759 88 HD23 LEU 16 3HD2 LEU 16 7.256 -8.197 -13.570 89 H VAL 17 H VAL 17 2.209 -8.288 -12.159 90 HA VAL 17 HA VAL 17 -0.383 -8.271 -13.528 91 HB VAL 17 HB VAL 17 0.331 -8.932 -10.669 92 HG11 VAL 17 1HG1 VAL 17 -2.095 -9.740 -10.635 93 HG12 VAL 17 2HG1 VAL 17 -1.815 -8.001 -10.530 94 HG13 VAL 17 3HG1 VAL 17 -2.323 -8.723 -12.057 95 HG21 VAL 17 1HG2 VAL 17 1.011 -10.679 -12.154 96 HG22 VAL 17 2HG2 VAL 17 -0.466 -11.203 -11.344 97 HG23 VAL 17 3HG2 VAL 17 -0.531 -10.625 -13.009 98 H LEU 18 H LEU 18 -1.990 -6.784 -13.050 99 HA LEU 18 HA LEU 18 -1.170 -4.469 -11.425 100 HB2 LEU 18 1HB LEU 18 -0.992 -3.682 -13.616 101 HB3 LEU 18 2HB LEU 18 -2.427 -4.558 -14.143 102 HG LEU 18 HG LEU 18 -3.624 -2.907 -12.462 103 HD11 LEU 18 1HD1 LEU 18 -1.937 -1.658 -11.533 104 HD12 LEU 18 2HD1 LEU 18 -2.407 -0.633 -12.889 105 HD13 LEU 18 3HD1 LEU 18 -0.975 -1.654 -13.011 106 HD21 LEU 18 1HD2 LEU 18 -3.378 -3.119 -15.193 107 HD22 LEU 18 2HD2 LEU 18 -2.942 -1.439 -14.883 108 HD23 LEU 18 3HD2 LEU 18 -4.499 -2.062 -14.334 109 H ILE 19 H ILE 19 -2.594 -3.809 -9.935 110 HA ILE 19 HA ILE 19 -5.183 -5.175 -9.829 111 HB ILE 19 HB ILE 19 -3.814 -3.556 -7.679 112 HG12 ILE 19 1HG1 ILE 19 -2.669 -5.713 -8.430 113 HG13 ILE 19 2HG1 ILE 19 -3.058 -5.581 -6.718 114 HG21 ILE 19 1HG2 ILE 19 -5.489 -5.016 -6.293 115 HG22 ILE 19 2HG2 ILE 19 -6.025 -3.523 -7.062 116 HG23 ILE 19 3HG2 ILE 19 -6.373 -5.078 -7.818 117 HD11 ILE 19 1HD1 ILE 19 -5.145 -6.894 -7.213 118 HD12 ILE 19 2HD1 ILE 19 -4.470 -7.197 -8.815 119 HD13 ILE 19 3HD1 ILE 19 -3.623 -7.769 -7.378 120 H ARG 20 H ARG 20 -6.782 -4.102 -10.788 121 HA ARG 20 HA ARG 20 -6.829 -1.171 -10.634 122 HB2 ARG 20 1HB ARG 20 -7.048 -2.608 -12.838 123 HB3 ARG 20 2HB ARG 20 -8.728 -2.731 -12.333 124 HG2 ARG 20 1HG ARG 20 -9.102 -0.455 -12.574 125 HG3 ARG 20 2HG ARG 20 -7.382 -0.066 -12.501 126 HD2 ARG 20 1HD ARG 20 -8.022 0.200 -14.761 127 HD3 ARG 20 2HD ARG 20 -7.134 -1.321 -14.677 128 HE ARG 20 HE ARG 20 -9.914 -1.767 -14.369 129 HH11 ARG 20 2HH1 ARG 20 -7.499 -1.000 -16.757 130 HH12 ARG 20 1HH1 ARG 20 -8.383 -1.708 -18.068 131 HH21 ARG 20 2HH2 ARG 20 -11.088 -2.702 -16.087 132 HH22 ARG 20 1HH2 ARG 20 -10.425 -2.675 -17.686 133 H MET 21 H MET 21 -8.162 -0.218 -9.252 134 HA MET 21 HA MET 21 -10.791 -1.292 -8.725 135 HB2 MET 21 1HB MET 21 -10.505 -1.385 -6.287 136 HB3 MET 21 2HB MET 21 -9.462 -2.540 -7.106 137 HG2 MET 21 1HG MET 21 -7.563 -1.051 -6.829 138 HG3 MET 21 2HG MET 21 -8.600 0.143 -6.051 139 HE1 MET 21 1HE MET 21 -6.208 -3.073 -4.419 140 HE2 MET 21 2HE MET 21 -6.065 -1.930 -5.753 141 HE3 MET 21 3HE MET 21 -5.840 -1.379 -4.092 142 H LYS 22 H LYS 22 -11.865 0.165 -6.941 143 HA LYS 22 HA LYS 22 -10.974 2.945 -7.306 144 HB2 LYS 22 1HB LYS 22 -13.203 3.687 -7.736 145 HB3 LYS 22 2HB LYS 22 -12.878 2.353 -8.835 146 HG2 LYS 22 1HG LYS 22 -14.354 0.952 -7.797 147 HG3 LYS 22 2HG LYS 22 -14.191 1.758 -6.235 148 HD2 LYS 22 1HD LYS 22 -16.348 2.313 -7.002 149 HD3 LYS 22 2HD LYS 22 -15.361 3.744 -7.311 150 HE2 LYS 22 1HE LYS 22 -16.535 3.502 -9.293 151 HE3 LYS 22 2HE LYS 22 -15.009 2.696 -9.651 152 HZ1 LYS 22 1HZ LYS 22 -17.331 1.180 -8.638 153 HZ2 LYS 22 2HZ LYS 22 -15.985 0.610 -9.488 154 HZ3 LYS 22 3HZ LYS 22 -17.166 1.520 -10.287 155 HA PRO 23 HA PRO 23 -11.488 3.370 -2.964 156 HB2 PRO 23 1HB PRO 23 -12.090 6.012 -2.789 157 HB3 PRO 23 2HB PRO 23 -10.470 5.419 -3.175 158 HG2 PRO 23 1HG PRO 23 -12.603 6.436 -5.013 159 HG3 PRO 23 2HG PRO 23 -10.861 6.768 -5.029 160 HD2 PRO 23 1HD PRO 23 -12.018 4.976 -6.698 161 HD3 PRO 23 2HD PRO 23 -10.364 4.779 -6.083 162 H ASP 24 H ASP 24 -13.035 3.871 -1.287 163 HA ASP 24 HA ASP 24 -15.760 3.367 -2.153 164 HB2 ASP 24 1HB ASP 24 -14.527 3.524 0.605 165 HB3 ASP 24 2HB ASP 24 -16.212 3.121 0.287 166 H GLU 25 H GLU 25 -17.405 4.539 -0.482 167 HA GLU 25 HA GLU 25 -17.555 7.204 -1.369 168 HB2 GLU 25 1HB GLU 25 -19.380 7.402 0.368 169 HB3 GLU 25 2HB GLU 25 -19.584 6.108 -0.804 170 HG2 GLU 25 1HG GLU 25 -19.126 4.453 0.744 171 HG3 GLU 25 2HG GLU 25 -18.288 5.560 1.829 172 H ASN 26 H ASN 26 -15.601 5.866 0.976 173 HA ASN 26 HA ASN 26 -15.299 8.465 2.332 174 HB2 ASN 26 1HB ASN 26 -14.870 5.686 3.446 175 HB3 ASN 26 2HB ASN 26 -14.437 7.170 4.288 176 HD21 ASN 26 1HD2 ASN 26 -16.362 5.022 4.931 177 HD22 ASN 26 2HD2 ASN 26 -17.873 5.824 5.178 178 H GLY 27 H GLY 27 -14.000 7.294 -0.116 179 HA2 GLY 27 1HA GLY 27 -11.901 7.082 -1.037 180 HA3 GLY 27 2HA GLY 27 -11.487 8.367 0.088 181 H ARG 28 H ARG 28 -12.328 4.943 0.582 182 HA ARG 28 HA ARG 28 -9.676 4.554 1.795 183 HB2 ARG 28 1HB ARG 28 -10.599 3.333 3.622 184 HB3 ARG 28 2HB ARG 28 -11.490 4.845 3.515 185 HG2 ARG 28 1HG ARG 28 -13.185 3.488 2.125 186 HG3 ARG 28 2HG ARG 28 -12.385 2.079 2.823 187 HD2 ARG 28 1HD ARG 28 -13.516 4.352 4.445 188 HD3 ARG 28 2HD ARG 28 -14.399 2.870 4.079 189 HE ARG 28 HE ARG 28 -12.007 2.079 5.205 190 HH11 ARG 28 2HH1 ARG 28 -14.756 3.996 6.150 191 HH12 ARG 28 1HH1 ARG 28 -14.607 3.614 7.834 192 HH21 ARG 28 2HH2 ARG 28 -11.801 1.570 7.418 193 HH22 ARG 28 1HH2 ARG 28 -12.926 2.235 8.554 194 H PHE 29 H PHE 29 -8.913 2.358 1.795 195 HA PHE 29 HA PHE 29 -10.148 0.734 -0.331 196 HB2 PHE 29 1HB PHE 29 -7.240 0.942 0.476 197 HB3 PHE 29 2HB PHE 29 -7.868 -0.179 -0.728 198 HD1 PHE 29 2HD PHE 29 -7.161 3.337 0.030 199 HD2 PHE 29 1HD PHE 29 -8.494 0.570 -2.916 200 HE1 PHE 29 2HE PHE 29 -6.894 5.061 -1.705 201 HE2 PHE 29 1HE PHE 29 -8.228 2.289 -4.656 202 HZ PHE 29 HZ PHE 29 -7.428 4.538 -4.051 203 H GLY 30 H GLY 30 -9.190 -1.657 -0.108 204 HA2 GLY 30 1HA GLY 30 -9.607 -2.458 2.707 205 HA3 GLY 30 2HA GLY 30 -10.320 -3.334 1.360 206 H PHE 31 H PHE 31 -7.075 -2.128 2.231 207 HA PHE 31 HA PHE 31 -5.976 -4.754 2.371 208 HB2 PHE 31 1HB PHE 31 -4.715 -4.873 0.406 209 HB3 PHE 31 2HB PHE 31 -6.262 -4.243 -0.152 210 HD1 PHE 31 1HD PHE 31 -2.764 -3.394 0.587 211 HD2 PHE 31 2HD PHE 31 -6.452 -2.047 -1.056 212 HE1 PHE 31 1HE PHE 31 -1.610 -1.465 -0.413 213 HE2 PHE 31 2HE PHE 31 -5.304 -0.117 -2.060 214 HZ PHE 31 HZ PHE 31 -2.880 0.176 -1.740 215 H ASN 32 H ASN 32 -4.175 -4.727 3.584 216 HA ASN 32 HA ASN 32 -3.031 -2.100 4.231 217 HB2 ASN 32 1HB ASN 32 -3.335 -4.657 5.754 218 HB3 ASN 32 2HB ASN 32 -2.016 -3.568 6.174 219 HD21 ASN 32 1HD2 ASN 32 -2.551 -2.487 7.921 220 HD22 ASN 32 2HD2 ASN 32 -4.078 -1.738 8.227 221 H VAL 33 H VAL 33 -0.658 -2.163 4.832 222 HA VAL 33 HA VAL 33 0.875 -4.105 3.268 223 HB VAL 33 HB VAL 33 2.251 -2.354 2.249 224 HG11 VAL 33 1HG1 VAL 33 0.089 -3.289 1.210 225 HG12 VAL 33 2HG1 VAL 33 -0.594 -1.700 1.565 226 HG13 VAL 33 3HG1 VAL 33 0.804 -1.843 0.497 227 HG21 VAL 33 1HG2 VAL 33 2.105 -0.162 2.723 228 HG22 VAL 33 2HG2 VAL 33 0.343 -0.188 2.787 229 HG23 VAL 33 3HG2 VAL 33 1.284 -0.709 4.184 230 H LYS 34 H LYS 34 3.144 -4.158 3.814 231 HA LYS 34 HA LYS 34 3.959 -2.729 6.217 232 HB2 LYS 34 1HB LYS 34 4.441 -4.638 7.514 233 HB3 LYS 34 2HB LYS 34 2.826 -4.916 6.875 234 HG2 LYS 34 1HG LYS 34 4.157 -6.151 4.970 235 HG3 LYS 34 2HG LYS 34 5.386 -6.279 6.230 236 HD2 LYS 34 1HD LYS 34 3.810 -7.378 7.703 237 HD3 LYS 34 2HD LYS 34 2.516 -7.164 6.523 238 HE2 LYS 34 1HE LYS 34 3.290 -9.412 6.345 239 HE3 LYS 34 2HE LYS 34 3.861 -8.538 4.924 240 HZ1 LYS 34 1HZ LYS 34 5.941 -8.187 6.476 241 HZ2 LYS 34 2HZ LYS 34 5.769 -9.577 5.528 242 HZ3 LYS 34 3HZ LYS 34 5.379 -9.622 7.174 243 H GLY 35 H GLY 35 6.264 -2.923 6.658 244 HA2 GLY 35 1HA GLY 35 8.469 -3.563 6.030 245 HA3 GLY 35 2HA GLY 35 7.860 -3.990 4.438 246 H GLY 36 H GLY 36 9.487 -2.773 3.416 247 HA2 GLY 36 1HA GLY 36 9.451 -0.697 2.101 248 HA3 GLY 36 2HA GLY 36 9.052 0.145 3.592 249 H TYR 37 H TYR 37 11.117 1.090 2.151 250 HA TYR 37 HA TYR 37 13.645 0.133 2.401 251 HB2 TYR 37 1HB TYR 37 12.785 2.394 1.450 252 HB3 TYR 37 2HB TYR 37 13.114 3.014 3.064 253 HD1 TYR 37 2HD TYR 37 14.936 0.687 0.768 254 HD2 TYR 37 1HD TYR 37 15.056 4.252 3.088 255 HE1 TYR 37 2HE TYR 37 17.299 0.995 0.162 256 HE2 TYR 37 1HE TYR 37 17.420 4.570 2.488 257 HH TYR 37 HH TYR 37 19.190 3.707 1.455 258 H ASP 38 H ASP 38 11.603 1.313 4.948 259 HA ASP 38 HA ASP 38 13.447 1.908 6.933 260 HB2 ASP 38 1HB ASP 38 10.629 0.916 6.940 261 HB3 ASP 38 2HB ASP 38 11.521 0.922 8.459 262 H GLN 39 H GLN 39 12.059 -1.229 6.041 263 HA GLN 39 HA GLN 39 14.076 -2.522 7.755 264 HB2 GLN 39 1HB GLN 39 11.272 -3.300 7.028 265 HB3 GLN 39 2HB GLN 39 12.437 -4.532 7.493 266 HG2 GLN 39 1HG GLN 39 11.981 -2.141 9.227 267 HG3 GLN 39 2HG GLN 39 10.885 -3.521 9.284 268 HE21 GLN 39 1HE2 GLN 39 12.772 -2.414 11.276 269 HE22 GLN 39 2HE2 GLN 39 13.783 -3.738 11.731 270 H LYS 40 H LYS 40 14.396 -1.571 4.988 271 HA LYS 40 HA LYS 40 14.996 -2.311 2.889 272 HB2 LYS 40 1HB LYS 40 16.567 -3.852 4.911 273 HB3 LYS 40 2HB LYS 40 16.768 -4.243 3.208 274 HG2 LYS 40 1HG LYS 40 17.131 -1.683 2.939 275 HG3 LYS 40 2HG LYS 40 17.465 -1.738 4.671 276 HD2 LYS 40 1HD LYS 40 19.061 -3.680 4.062 277 HD3 LYS 40 2HD LYS 40 18.942 -3.050 2.417 278 HE2 LYS 40 1HE LYS 40 19.957 -1.037 2.984 279 HE3 LYS 40 2HE LYS 40 19.596 -1.226 4.699 280 HZ1 LYS 40 1HZ LYS 40 21.989 -1.631 3.809 281 HZ2 LYS 40 2HZ LYS 40 21.385 -3.156 3.397 282 HZ3 LYS 40 3HZ LYS 40 21.352 -2.641 5.007 283 H MET 41 H MET 41 12.544 -3.542 3.866 284 HA MET 41 HA MET 41 12.713 -6.131 2.468 285 HB2 MET 41 1HB MET 41 11.004 -7.001 3.861 286 HB3 MET 41 2HB MET 41 12.144 -6.201 4.935 287 HG2 MET 41 1HG MET 41 10.700 -4.438 5.365 288 HG3 MET 41 2HG MET 41 9.730 -4.756 3.928 289 HE1 MET 41 1HE MET 41 7.259 -6.921 4.458 290 HE2 MET 41 2HE MET 41 8.738 -6.903 3.497 291 HE3 MET 41 3HE MET 41 8.456 -8.202 4.658 292 HA PRO 42 HA PRO 42 9.865 -4.642 -0.524 293 HB2 PRO 42 1HB PRO 42 8.570 -6.937 -1.179 294 HB3 PRO 42 2HB PRO 42 10.236 -6.600 -1.667 295 HG2 PRO 42 1HG PRO 42 9.227 -8.270 0.604 296 HG3 PRO 42 2HG PRO 42 10.542 -8.609 -0.536 297 HD2 PRO 42 1HD PRO 42 10.989 -7.692 1.972 298 HD3 PRO 42 2HD PRO 42 12.042 -7.280 0.603 299 H VAL 43 H VAL 43 7.764 -3.942 -0.756 300 HA VAL 43 HA VAL 43 6.139 -3.914 1.588 301 HB VAL 43 HB VAL 43 5.461 -2.984 -1.206 302 HG11 VAL 43 1HG1 VAL 43 3.402 -2.983 -0.240 303 HG12 VAL 43 2HG1 VAL 43 4.047 -2.849 1.397 304 HG13 VAL 43 3HG1 VAL 43 3.977 -1.427 0.356 305 HG21 VAL 43 1HG2 VAL 43 5.901 -0.767 0.373 306 HG22 VAL 43 2HG2 VAL 43 7.170 -1.884 0.876 307 HG23 VAL 43 3HG2 VAL 43 7.018 -1.429 -0.821 308 H ILE 44 H ILE 44 5.255 -5.826 2.162 309 HA ILE 44 HA ILE 44 3.726 -7.300 0.122 310 HB ILE 44 HB ILE 44 4.582 -8.400 2.791 311 HG12 ILE 44 1HG1 ILE 44 6.584 -7.698 1.536 312 HG13 ILE 44 2HG1 ILE 44 6.477 -9.451 1.657 313 HG21 ILE 44 1HG2 ILE 44 4.351 -10.259 0.598 314 HG22 ILE 44 2HG2 ILE 44 3.532 -10.255 2.160 315 HG23 ILE 44 3HG2 ILE 44 2.862 -9.338 0.810 316 HD11 ILE 44 1HD1 ILE 44 5.166 -8.784 -0.715 317 HD12 ILE 44 2HD1 ILE 44 6.622 -7.790 -0.672 318 HD13 ILE 44 3HD1 ILE 44 6.747 -9.543 -0.533 319 H VAL 45 H VAL 45 1.590 -7.702 0.407 320 HA VAL 45 HA VAL 45 -0.005 -6.045 1.915 321 HB VAL 45 HB VAL 45 -0.665 -8.859 1.033 322 HG11 VAL 45 1HG1 VAL 45 -2.110 -7.383 2.776 323 HG12 VAL 45 2HG1 VAL 45 -2.786 -6.831 1.243 324 HG13 VAL 45 3HG1 VAL 45 -2.808 -8.547 1.650 325 HG21 VAL 45 1HG2 VAL 45 -1.159 -8.068 -1.034 326 HG22 VAL 45 2HG2 VAL 45 -1.644 -6.482 -0.433 327 HG23 VAL 45 3HG2 VAL 45 0.066 -6.875 -0.603 328 H SER 46 H SER 46 -0.757 -5.992 3.954 329 HA SER 46 HA SER 46 0.367 -7.884 5.854 330 HB2 SER 46 1HB SER 46 0.387 -5.390 6.239 331 HB3 SER 46 2HB SER 46 -1.363 -5.474 6.440 332 HG SER 46 HG SER 46 0.479 -5.908 8.264 333 H ARG 47 H ARG 47 -2.873 -6.485 5.314 334 HA ARG 47 HA ARG 47 -4.059 -9.114 5.740 335 HB2 ARG 47 1HB ARG 47 -3.940 -8.010 7.974 336 HB3 ARG 47 2HB ARG 47 -4.932 -6.704 7.340 337 HG2 ARG 47 1HG ARG 47 -6.502 -7.998 8.392 338 HG3 ARG 47 2HG ARG 47 -6.587 -8.627 6.745 339 HD2 ARG 47 1HD ARG 47 -6.550 -10.466 8.304 340 HD3 ARG 47 2HD ARG 47 -5.040 -10.439 7.395 341 HE ARG 47 HE ARG 47 -4.509 -9.013 9.666 342 HH11 ARG 47 2HH1 ARG 47 -5.683 -12.217 8.972 343 HH12 ARG 47 1HH1 ARG 47 -5.003 -12.917 10.403 344 HH21 ARG 47 2HH2 ARG 47 -3.610 -9.924 11.554 345 HH22 ARG 47 1HH2 ARG 47 -3.825 -11.612 11.872 346 H VAL 48 H VAL 48 -6.215 -9.294 4.966 347 HA VAL 48 HA VAL 48 -7.232 -7.014 3.427 348 HB VAL 48 HB VAL 48 -7.047 -9.797 2.272 349 HG11 VAL 48 1HG1 VAL 48 -8.934 -8.376 1.506 350 HG12 VAL 48 2HG1 VAL 48 -7.758 -7.185 0.946 351 HG13 VAL 48 3HG1 VAL 48 -7.798 -8.793 0.223 352 HG21 VAL 48 1HG2 VAL 48 -4.883 -9.289 1.958 353 HG22 VAL 48 2HG2 VAL 48 -5.486 -8.231 0.683 354 HG23 VAL 48 3HG2 VAL 48 -5.135 -7.574 2.282 355 H ALA 49 H ALA 49 -9.319 -6.691 3.807 356 HA ALA 49 HA ALA 49 -10.852 -8.783 5.154 357 HB1 ALA 49 1HB ALA 49 -10.939 -6.700 6.279 358 HB2 ALA 49 2HB ALA 49 -11.321 -5.833 4.791 359 HB3 ALA 49 3HB ALA 49 -12.511 -6.919 5.509 360 HA PRO 50 HA PRO 50 -13.309 -9.822 1.665 361 HB2 PRO 50 1HB PRO 50 -15.668 -10.427 2.865 362 HB3 PRO 50 2HB PRO 50 -14.242 -11.466 2.970 363 HG2 PRO 50 1HG PRO 50 -15.289 -9.482 4.952 364 HG3 PRO 50 2HG PRO 50 -14.654 -11.113 5.231 365 HD2 PRO 50 1HD PRO 50 -13.177 -8.883 5.652 366 HD3 PRO 50 2HD PRO 50 -12.460 -10.415 5.114 367 H GLY 51 H GLY 51 -15.491 -9.347 0.636 368 HA2 GLY 51 1HA GLY 51 -16.765 -7.722 -0.389 369 HA3 GLY 51 2HA GLY 51 -17.204 -7.315 1.264 370 H THR 52 H THR 52 -14.068 -6.978 -0.352 371 HA THR 52 HA THR 52 -14.254 -4.072 0.109 372 HB THR 52 HB THR 52 -11.702 -4.168 0.149 373 HG1 THR 52 1HG THR 52 -12.202 -6.914 0.720 374 HG21 THR 52 1HG2 THR 52 -12.931 -5.685 2.431 375 HG22 THR 52 2HG2 THR 52 -13.324 -3.990 2.142 376 HG23 THR 52 3HG2 THR 52 -11.658 -4.467 2.469 377 HA PRO 53 HA PRO 53 -13.595 -3.355 -4.173 378 HB2 PRO 53 1HB PRO 53 -12.153 -1.055 -4.110 379 HB3 PRO 53 2HB PRO 53 -13.877 -1.119 -3.721 380 HG2 PRO 53 1HG PRO 53 -11.520 -1.061 -1.876 381 HG3 PRO 53 2HG PRO 53 -13.054 -0.179 -1.760 382 HD2 PRO 53 1HD PRO 53 -12.548 -2.417 -0.323 383 HD3 PRO 53 2HD PRO 53 -14.177 -1.994 -0.889 384 H ALA 54 H ALA 54 -11.135 -4.294 -2.145 385 HA ALA 54 HA ALA 54 -9.104 -4.203 -4.271 386 HB1 ALA 54 1HB ALA 54 -7.902 -5.115 -1.915 387 HB2 ALA 54 2HB ALA 54 -7.745 -3.520 -2.654 388 HB3 ALA 54 3HB ALA 54 -8.980 -3.806 -1.427 389 H ASP 55 H ASP 55 -11.024 -6.305 -2.284 390 HA ASP 55 HA ASP 55 -9.540 -8.674 -3.104 391 HB2 ASP 55 1HB ASP 55 -10.611 -8.230 -0.764 392 HB3 ASP 55 2HB ASP 55 -12.102 -8.751 -1.544 393 H LEU 56 H LEU 56 -12.887 -7.467 -3.318 394 HA LEU 56 HA LEU 56 -13.956 -9.447 -4.917 395 HB2 LEU 56 1HB LEU 56 -14.588 -6.505 -5.083 396 HB3 LEU 56 2HB LEU 56 -15.628 -7.833 -5.597 397 HG LEU 56 HG LEU 56 -14.777 -7.634 -2.737 398 HD11 LEU 56 1HD1 LEU 56 -16.685 -5.861 -4.171 399 HD12 LEU 56 2HD1 LEU 56 -15.612 -5.510 -2.817 400 HD13 LEU 56 3HD1 LEU 56 -17.102 -6.415 -2.549 401 HD21 LEU 56 1HD2 LEU 56 -17.015 -8.868 -4.294 402 HD22 LEU 56 2HD2 LEU 56 -17.194 -8.541 -2.570 403 HD23 LEU 56 3HD2 LEU 56 -15.914 -9.615 -3.137 404 H CYS 57 H CYS 57 -12.057 -6.629 -5.849 405 HA CYS 57 HA CYS 57 -12.415 -6.816 -8.628 406 HB2 CYS 57 1HB CYS 57 -10.557 -5.333 -8.829 407 HB3 CYS 57 2HB CYS 57 -11.410 -4.877 -7.359 408 HG CYS 57 HG CYS 57 -8.771 -4.581 -6.731 409 H VAL 58 H VAL 58 -10.845 -7.509 -10.239 410 HA VAL 58 HA VAL 58 -9.296 -9.856 -9.349 411 HB VAL 58 HB VAL 58 -10.759 -9.501 -11.969 412 HG11 VAL 58 1HG1 VAL 58 -9.953 -11.602 -12.639 413 HG12 VAL 58 2HG1 VAL 58 -8.541 -10.760 -11.996 414 HG13 VAL 58 3HG1 VAL 58 -9.359 -11.984 -11.023 415 HG21 VAL 58 1HG2 VAL 58 -12.247 -11.208 -11.219 416 HG22 VAL 58 2HG2 VAL 58 -11.277 -11.503 -9.776 417 HG23 VAL 58 3HG2 VAL 58 -12.163 -9.987 -9.949 418 HA PRO 59 HA PRO 59 -7.786 -11.196 -9.970 419 HB2 PRO 59 1HB PRO 59 -5.268 -11.218 -8.956 420 HB3 PRO 59 2HB PRO 59 -5.633 -11.650 -10.631 421 HG2 PRO 59 1HG PRO 59 -4.608 -9.066 -9.522 422 HG3 PRO 59 2HG PRO 59 -4.099 -9.938 -10.979 423 HD2 PRO 59 1HD PRO 59 -5.763 -7.804 -11.066 424 HD3 PRO 59 2HD PRO 59 -5.868 -9.145 -12.225 425 H ARG 60 H ARG 60 -8.270 -11.744 -7.892 426 HA ARG 60 HA ARG 60 -8.899 -9.755 -6.032 427 HB2 ARG 60 1HB ARG 60 -10.057 -11.804 -5.848 428 HB3 ARG 60 2HB ARG 60 -8.566 -12.736 -5.790 429 HG2 ARG 60 1HG ARG 60 -8.099 -11.574 -3.583 430 HG3 ARG 60 2HG ARG 60 -9.776 -11.027 -3.641 431 HD2 ARG 60 1HD ARG 60 -10.609 -13.217 -3.523 432 HD3 ARG 60 2HD ARG 60 -9.049 -13.923 -3.943 433 HE ARG 60 HE ARG 60 -9.041 -12.445 -1.474 434 HH11 ARG 60 2HH1 ARG 60 -9.619 -15.532 -2.975 435 HH12 ARG 60 1HH1 ARG 60 -9.348 -16.436 -1.522 436 HH21 ARG 60 2HH2 ARG 60 -8.681 -13.624 0.445 437 HH22 ARG 60 1HH2 ARG 60 -8.815 -15.349 0.423 438 H LEU 61 H LEU 61 -7.657 -8.591 -4.732 439 HA LEU 61 HA LEU 61 -4.861 -9.088 -4.476 440 HB2 LEU 61 1HB LEU 61 -5.902 -6.833 -4.495 441 HB3 LEU 61 2HB LEU 61 -6.584 -7.176 -2.907 442 HG LEU 61 HG LEU 61 -4.223 -7.434 -2.069 443 HD11 LEU 61 1HD1 LEU 61 -2.476 -6.321 -3.440 444 HD12 LEU 61 2HD1 LEU 61 -3.611 -6.293 -4.789 445 HD13 LEU 61 3HD1 LEU 61 -3.066 -7.834 -4.129 446 HD21 LEU 61 1HD2 LEU 61 -4.002 -5.159 -1.635 447 HD22 LEU 61 2HD2 LEU 61 -5.727 -5.348 -1.949 448 HD23 LEU 61 3HD2 LEU 61 -4.669 -4.695 -3.200 449 H ASN 62 H ASN 62 -4.224 -10.819 -3.337 450 HA ASN 62 HA ASN 62 -5.383 -11.205 -0.655 451 HB2 ASN 62 1HB ASN 62 -4.377 -13.588 -0.987 452 HB3 ASN 62 2HB ASN 62 -5.896 -13.178 -1.778 453 HD21 ASN 62 1HD2 ASN 62 -2.699 -14.213 -2.188 454 HD22 ASN 62 2HD2 ASN 62 -2.669 -14.226 -3.915 455 H GLU 63 H GLU 63 -3.841 -12.256 0.911 456 HA GLU 63 HA GLU 63 -1.620 -10.635 1.333 457 HB2 GLU 63 1HB GLU 63 -2.333 -13.358 2.411 458 HB3 GLU 63 2HB GLU 63 -0.907 -12.480 2.945 459 HG2 GLU 63 1HG GLU 63 -2.301 -10.654 3.731 460 HG3 GLU 63 2HG GLU 63 -3.742 -11.490 3.155 461 H GLY 64 H GLY 64 0.614 -10.973 1.133 462 HA2 GLY 64 1HA GLY 64 2.501 -12.301 0.464 463 HA3 GLY 64 2HA GLY 64 1.435 -13.207 -0.600 464 H ASP 65 H ASP 65 0.126 -11.064 -1.853 465 HA ASP 65 HA ASP 65 1.628 -10.561 -4.054 466 HB2 ASP 65 1HB ASP 65 -0.517 -8.903 -2.749 467 HB3 ASP 65 2HB ASP 65 0.235 -8.395 -4.259 468 H GLN 66 H GLN 66 3.548 -9.659 -4.336 469 HA GLN 66 HA GLN 66 4.548 -7.734 -2.391 470 HB2 GLN 66 1HB GLN 66 6.072 -9.499 -2.942 471 HB3 GLN 66 2HB GLN 66 5.867 -9.216 -4.666 472 HG2 GLN 66 1HG GLN 66 6.776 -6.824 -4.020 473 HG3 GLN 66 2HG GLN 66 7.473 -7.720 -2.672 474 HE21 GLN 66 1HE2 GLN 66 9.571 -7.737 -3.212 475 HE22 GLN 66 2HE2 GLN 66 10.210 -8.423 -4.663 476 H VAL 67 H VAL 67 3.963 -5.689 -2.737 477 HA VAL 67 HA VAL 67 3.214 -4.614 -5.232 478 HB VAL 67 HB VAL 67 4.120 -3.151 -2.748 479 HG11 VAL 67 1HG1 VAL 67 3.503 -2.201 -5.361 480 HG12 VAL 67 2HG1 VAL 67 2.234 -1.674 -4.254 481 HG13 VAL 67 3HG1 VAL 67 3.920 -1.276 -3.918 482 HG21 VAL 67 1HG2 VAL 67 1.977 -4.797 -2.950 483 HG22 VAL 67 2HG2 VAL 67 2.059 -3.400 -1.877 484 HG23 VAL 67 3HG2 VAL 67 1.267 -3.261 -3.447 485 H VAL 68 H VAL 68 4.614 -4.556 -6.884 486 HA VAL 68 HA VAL 68 7.422 -4.088 -6.523 487 HB VAL 68 HB VAL 68 5.815 -4.125 -9.082 488 HG11 VAL 68 1HG1 VAL 68 7.980 -3.014 -9.313 489 HG12 VAL 68 2HG1 VAL 68 8.782 -4.425 -8.618 490 HG13 VAL 68 3HG1 VAL 68 7.956 -4.554 -10.172 491 HG21 VAL 68 1HG2 VAL 68 7.220 -6.457 -9.012 492 HG22 VAL 68 2HG2 VAL 68 6.788 -6.253 -7.315 493 HG23 VAL 68 3HG2 VAL 68 5.527 -6.287 -8.547 494 H LEU 69 H LEU 69 4.725 -2.236 -7.909 495 HA LEU 69 HA LEU 69 6.061 0.239 -7.227 496 HB2 LEU 69 1HB LEU 69 5.498 -0.569 -10.067 497 HB3 LEU 69 2HB LEU 69 5.685 1.115 -9.582 498 HG LEU 69 HG LEU 69 7.809 -0.997 -9.225 499 HD11 LEU 69 1HD1 LEU 69 7.485 -0.726 -11.570 500 HD12 LEU 69 2HD1 LEU 69 8.923 0.190 -11.121 501 HD13 LEU 69 3HD1 LEU 69 7.400 1.029 -11.415 502 HD21 LEU 69 1HD2 LEU 69 7.897 0.936 -7.683 503 HD22 LEU 69 2HD2 LEU 69 7.966 2.012 -9.079 504 HD23 LEU 69 3HD2 LEU 69 9.274 0.865 -8.783 505 H ILE 70 H ILE 70 4.651 1.886 -6.854 506 HA ILE 70 HA ILE 70 1.801 1.261 -7.228 507 HB ILE 70 HB ILE 70 3.059 3.193 -5.277 508 HG12 ILE 70 1HG1 ILE 70 1.686 0.592 -4.620 509 HG13 ILE 70 2HG1 ILE 70 3.419 0.677 -4.918 510 HG21 ILE 70 1HG2 ILE 70 0.985 3.794 -4.576 511 HG22 ILE 70 2HG2 ILE 70 0.594 3.420 -6.254 512 HG23 ILE 70 3HG2 ILE 70 0.272 2.235 -4.989 513 HD11 ILE 70 1HD1 ILE 70 2.739 0.742 -2.517 514 HD12 ILE 70 2HD1 ILE 70 3.750 2.089 -3.041 515 HD13 ILE 70 3HD1 ILE 70 2.014 2.318 -2.830 516 H ASN 71 H ASN 71 0.695 2.401 -8.668 517 HA ASN 71 HA ASN 71 0.158 3.972 -10.226 518 HB2 ASN 71 1HB ASN 71 1.160 5.611 -7.918 519 HB3 ASN 71 2HB ASN 71 0.671 6.399 -9.415 520 HD21 ASN 71 1HD2 ASN 71 -0.459 6.349 -6.645 521 HD22 ASN 71 2HD2 ASN 71 -2.120 5.927 -6.860 522 H GLY 72 H GLY 72 2.742 2.701 -10.485 523 HA2 GLY 72 1HA GLY 72 4.572 2.851 -11.865 524 HA3 GLY 72 2HA GLY 72 3.829 4.288 -12.553 525 H ARG 73 H ARG 73 4.689 3.928 -9.166 526 HA ARG 73 HA ARG 73 6.919 5.805 -9.566 527 HB2 ARG 73 1HB ARG 73 4.730 5.968 -7.493 528 HB3 ARG 73 2HB ARG 73 6.231 6.878 -7.388 529 HG2 ARG 73 1HG ARG 73 5.607 7.757 -9.727 530 HG3 ARG 73 2HG ARG 73 3.989 7.164 -9.345 531 HD2 ARG 73 1HD ARG 73 4.137 9.491 -8.749 532 HD3 ARG 73 2HD ARG 73 4.026 8.525 -7.279 533 HE ARG 73 HE ARG 73 6.712 8.869 -7.715 534 HH11 ARG 73 2HH1 ARG 73 3.962 10.956 -7.265 535 HH12 ARG 73 1HH1 ARG 73 4.882 12.228 -6.531 536 HH21 ARG 73 2HH2 ARG 73 7.934 10.536 -6.749 537 HH22 ARG 73 1HH2 ARG 73 7.142 11.988 -6.239 538 H ASP 74 H ASP 74 8.748 5.303 -8.513 539 HA ASP 74 HA ASP 74 9.134 2.793 -7.363 540 HB2 ASP 74 1HB ASP 74 11.337 3.564 -6.745 541 HB3 ASP 74 2HB ASP 74 10.929 4.236 -8.322 542 H ILE 75 H ILE 75 8.350 2.034 -5.521 543 HA ILE 75 HA ILE 75 8.087 3.880 -3.238 544 HB ILE 75 HB ILE 75 6.263 2.504 -2.407 545 HG12 ILE 75 1HG1 ILE 75 5.358 0.842 -4.291 546 HG13 ILE 75 2HG1 ILE 75 7.071 0.768 -4.690 547 HG21 ILE 75 1HG2 ILE 75 6.202 4.027 -4.834 548 HG22 ILE 75 2HG2 ILE 75 4.980 2.758 -4.890 549 HG23 ILE 75 3HG2 ILE 75 4.991 3.913 -3.557 550 HD11 ILE 75 1HD1 ILE 75 5.931 0.211 -1.963 551 HD12 ILE 75 2HD1 ILE 75 6.328 -1.020 -3.162 552 HD13 ILE 75 3HD1 ILE 75 7.602 -0.007 -2.484 553 H ALA 76 H ALA 76 9.596 1.091 -4.434 554 HA ALA 76 HA ALA 76 9.983 -0.314 -1.987 555 HB1 ALA 76 1HB ALA 76 11.674 -1.586 -3.228 556 HB2 ALA 76 2HB ALA 76 10.163 -1.448 -4.127 557 HB3 ALA 76 3HB ALA 76 11.545 -0.441 -4.563 558 H GLU 77 H GLU 77 11.266 2.562 -3.184 559 HA GLU 77 HA GLU 77 13.724 2.307 -1.600 560 HB2 GLU 77 1HB GLU 77 12.892 4.176 -3.805 561 HB3 GLU 77 2HB GLU 77 14.257 4.544 -2.761 562 HG2 GLU 77 1HG GLU 77 14.094 1.927 -4.197 563 HG3 GLU 77 2HG GLU 77 14.683 3.375 -5.012 564 H HIS 78 H HIS 78 10.617 3.389 -1.285 565 HA HIS 78 HA HIS 78 11.315 5.644 0.451 566 HB2 HIS 78 1HB HIS 78 8.796 4.757 -0.906 567 HB3 HIS 78 2HB HIS 78 8.694 5.789 0.518 568 HD1 HIS 78 1HD HIS 78 7.836 7.828 -0.753 569 HD2 HIS 78 2HD HIS 78 11.465 6.395 -2.181 570 HE1 HIS 78 1HE HIS 78 8.686 9.598 -2.323 571 HE2 HIS 78 2HE HIS 78 10.841 8.671 -3.240 572 H THR 79 H THR 79 10.131 5.823 2.531 573 HA THR 79 HA THR 79 10.389 3.348 3.996 574 HB THR 79 HB THR 79 9.582 4.923 5.927 575 HG1 THR 79 1HG THR 79 9.370 6.965 5.408 576 HG21 THR 79 1HG2 THR 79 12.237 5.299 4.535 577 HG22 THR 79 2HG2 THR 79 11.851 4.065 5.735 578 HG23 THR 79 3HG2 THR 79 11.882 5.766 6.198 579 H HIS 80 H HIS 80 8.724 2.580 5.481 580 HA HIS 80 HA HIS 80 6.369 1.871 4.326 581 HB2 HIS 80 1HB HIS 80 7.107 0.857 6.394 582 HB3 HIS 80 2HB HIS 80 6.894 2.376 7.261 583 HD1 HIS 80 1HD HIS 80 5.257 -0.733 6.729 584 HD2 HIS 80 2HD HIS 80 3.983 3.203 7.105 585 HE1 HIS 80 1HE HIS 80 2.818 -0.870 7.328 586 HE2 HIS 80 2HE HIS 80 2.049 1.525 7.466 587 H ASP 81 H ASP 81 6.633 4.516 6.709 588 HA ASP 81 HA ASP 81 4.087 5.512 6.563 589 HB2 ASP 81 1HB ASP 81 6.463 7.358 6.677 590 HB3 ASP 81 2HB ASP 81 4.906 7.522 7.486 591 H GLN 82 H GLN 82 6.837 6.552 4.548 592 HA GLN 82 HA GLN 82 5.576 8.417 2.975 593 HB2 GLN 82 1HB GLN 82 7.809 6.494 2.419 594 HB3 GLN 82 2HB GLN 82 7.217 7.553 1.147 595 HG2 GLN 82 1HG GLN 82 7.642 9.482 2.693 596 HG3 GLN 82 2HG GLN 82 8.452 8.344 3.768 597 HE21 GLN 82 1HE2 GLN 82 8.527 9.832 0.599 598 HE22 GLN 82 2HE2 GLN 82 10.208 9.565 0.303 599 H VAL 83 H VAL 83 5.675 4.904 2.510 600 HA VAL 83 HA VAL 83 4.270 4.852 0.067 601 HB VAL 83 HB VAL 83 4.509 2.738 2.211 602 HG11 VAL 83 1HG1 VAL 83 2.604 2.129 0.975 603 HG12 VAL 83 2HG1 VAL 83 3.331 2.634 -0.552 604 HG13 VAL 83 3HG1 VAL 83 3.924 1.193 0.275 605 HG21 VAL 83 1HG2 VAL 83 6.234 1.793 0.823 606 HG22 VAL 83 2HG2 VAL 83 5.957 3.012 -0.421 607 HG23 VAL 83 3HG2 VAL 83 6.622 3.484 1.143 608 H VAL 84 H VAL 84 3.166 4.463 3.423 609 HA VAL 84 HA VAL 84 0.462 3.990 2.864 610 HB VAL 84 HB VAL 84 1.707 5.297 5.287 611 HG11 VAL 84 1HG1 VAL 84 -0.363 5.756 5.954 612 HG12 VAL 84 2HG1 VAL 84 -1.053 4.941 4.549 613 HG13 VAL 84 3HG1 VAL 84 -0.672 4.021 6.005 614 HG21 VAL 84 1HG2 VAL 84 0.655 2.518 5.272 615 HG22 VAL 84 2HG2 VAL 84 2.203 2.822 4.484 616 HG23 VAL 84 3HG2 VAL 84 1.989 3.218 6.189 617 H LEU 85 H LEU 85 2.208 7.019 3.450 618 HA LEU 85 HA LEU 85 -0.080 8.689 3.316 619 HB2 LEU 85 1HB LEU 85 2.864 9.086 3.259 620 HB3 LEU 85 2HB LEU 85 1.842 10.407 2.695 621 HG LEU 85 HG LEU 85 2.502 10.674 5.041 622 HD11 LEU 85 1HD1 LEU 85 -0.096 10.839 3.962 623 HD12 LEU 85 2HD1 LEU 85 0.587 11.754 5.306 624 HD13 LEU 85 3HD1 LEU 85 -0.259 10.238 5.613 625 HD21 LEU 85 1HD2 LEU 85 0.888 8.178 5.545 626 HD22 LEU 85 2HD2 LEU 85 1.701 9.175 6.751 627 HD23 LEU 85 3HD2 LEU 85 2.649 8.262 5.576 628 H PHE 86 H PHE 86 2.229 7.527 0.931 629 HA PHE 86 HA PHE 86 1.526 9.207 -1.197 630 HB2 PHE 86 1HB PHE 86 3.523 7.831 -1.285 631 HB3 PHE 86 2HB PHE 86 2.552 6.363 -1.232 632 HD1 PHE 86 1HD PHE 86 3.118 9.412 -3.283 633 HD2 PHE 86 2HD PHE 86 1.919 5.329 -3.201 634 HE1 PHE 86 1HE PHE 86 3.022 9.394 -5.742 635 HE2 PHE 86 2HE PHE 86 1.823 5.304 -5.659 636 HZ PHE 86 HZ PHE 86 2.376 7.338 -6.933 637 H ILE 87 H ILE 87 0.451 5.859 -0.589 638 HA ILE 87 HA ILE 87 -1.390 5.599 -2.604 639 HB ILE 87 HB ILE 87 -1.680 4.545 0.212 640 HG12 ILE 87 1HG1 ILE 87 -0.558 3.126 -2.205 641 HG13 ILE 87 2HG1 ILE 87 0.455 3.992 -1.055 642 HG21 ILE 87 1HG2 ILE 87 -3.578 3.590 -0.424 643 HG22 ILE 87 2HG2 ILE 87 -3.469 4.444 -1.962 644 HG23 ILE 87 3HG2 ILE 87 -2.770 2.834 -1.796 645 HD11 ILE 87 1HD1 ILE 87 -0.048 2.493 0.674 646 HD12 ILE 87 2HD1 ILE 87 -1.412 1.805 -0.208 647 HD13 ILE 87 3HD1 ILE 87 0.236 1.490 -0.749 648 H LYS 88 H LYS 88 -1.764 7.264 0.471 649 HA LYS 88 HA LYS 88 -4.558 7.687 0.297 650 HB2 LYS 88 1HB LYS 88 -2.491 9.344 1.756 651 HB3 LYS 88 2HB LYS 88 -4.224 9.354 2.051 652 HG2 LYS 88 1HG LYS 88 -2.789 6.765 2.269 653 HG3 LYS 88 2HG LYS 88 -2.562 7.959 3.549 654 HD2 LYS 88 1HD LYS 88 -4.782 7.888 4.189 655 HD3 LYS 88 2HD LYS 88 -5.324 7.299 2.616 656 HE2 LYS 88 1HE LYS 88 -3.979 5.179 3.193 657 HE3 LYS 88 2HE LYS 88 -4.007 5.787 4.847 658 HZ1 LYS 88 1HZ LYS 88 -6.587 5.847 3.609 659 HZ2 LYS 88 2HZ LYS 88 -6.118 5.177 5.089 660 HZ3 LYS 88 3HZ LYS 88 -5.943 4.283 3.664 661 H ALA 89 H ALA 89 -1.760 9.595 -0.721 662 HA ALA 89 HA ALA 89 -2.762 12.003 -1.374 663 HB1 ALA 89 1HB ALA 89 -1.204 12.090 -3.259 664 HB2 ALA 89 2HB ALA 89 -0.461 11.357 -1.837 665 HB3 ALA 89 3HB ALA 89 -1.002 10.340 -3.171 666 H SER 90 H SER 90 -3.365 9.008 -3.132 667 HA SER 90 HA SER 90 -4.519 9.880 -5.445 668 HB2 SER 90 1HB SER 90 -4.209 7.472 -4.583 669 HB3 SER 90 2HB SER 90 -5.795 7.672 -3.838 670 HG SER 90 HG SER 90 -5.806 6.741 -5.991 671 H CYS 91 H CYS 91 -6.196 9.444 -2.334 672 HA CYS 91 HA CYS 91 -8.725 10.273 -3.129 673 HB2 CYS 91 1HB CYS 91 -7.376 10.613 -0.443 674 HB3 CYS 91 2HB CYS 91 -9.100 10.814 -0.730 675 HG CYS 91 HG CYS 91 -9.071 8.392 0.408 676 H GLU 92 H GLU 92 -6.014 12.197 -1.892 677 HA GLU 92 HA GLU 92 -7.372 14.671 -1.872 678 HB2 GLU 92 1HB GLU 92 -5.083 13.958 -0.819 679 HB3 GLU 92 2HB GLU 92 -4.423 14.487 -2.360 680 HG2 GLU 92 1HG GLU 92 -4.464 16.164 -0.444 681 HG3 GLU 92 2HG GLU 92 -5.059 16.698 -2.015 682 H ARG 93 H ARG 93 -4.764 13.707 -4.104 683 HA ARG 93 HA ARG 93 -5.241 15.687 -6.000 684 HB2 ARG 93 1HB ARG 93 -3.876 14.379 -7.511 685 HB3 ARG 93 2HB ARG 93 -3.192 14.301 -5.893 686 HG2 ARG 93 1HG ARG 93 -3.748 12.087 -5.616 687 HG3 ARG 93 2HG ARG 93 -5.053 12.157 -6.801 688 HD2 ARG 93 1HD ARG 93 -3.616 11.959 -8.592 689 HD3 ARG 93 2HD ARG 93 -2.243 12.606 -7.696 690 HE ARG 93 HE ARG 93 -2.715 10.287 -6.424 691 HH11 ARG 93 2HH1 ARG 93 -2.365 11.083 -9.795 692 HH12 ARG 93 1HH1 ARG 93 -1.707 9.539 -10.226 693 HH21 ARG 93 2HH2 ARG 93 -1.850 8.250 -6.979 694 HH22 ARG 93 1HH2 ARG 93 -1.415 7.928 -8.623 695 H HIS 94 H HIS 94 -5.798 15.051 -8.385 696 HA HIS 94 HA HIS 94 -8.510 13.985 -8.309 697 HB2 HIS 94 1HB HIS 94 -8.493 16.014 -9.459 698 HB3 HIS 94 2HB HIS 94 -6.961 15.663 -10.255 699 HD1 HIS 94 1HD HIS 94 -7.438 15.572 -12.678 700 HD2 HIS 94 2HD HIS 94 -10.370 13.644 -10.455 701 HE1 HIS 94 1HE HIS 94 -9.010 14.569 -14.365 702 HE2 HIS 94 2HE HIS 94 -10.822 13.480 -12.996 703 H SER 95 H SER 95 -8.042 11.763 -8.115 704 HA SER 95 HA SER 95 -6.917 10.546 -10.553 705 HB2 SER 95 1HB SER 95 -5.603 10.237 -8.386 706 HB3 SER 95 2HB SER 95 -6.946 9.235 -7.833 707 HG SER 95 HG SER 95 -6.489 8.214 -10.086 708 H GLY 96 H GLY 96 -7.939 8.714 -11.398 709 HA2 GLY 96 1HA GLY 96 -10.778 8.574 -10.788 710 HA3 GLY 96 2HA GLY 96 -9.962 7.808 -12.142 711 H GLU 97 H GLU 97 -8.084 6.251 -11.024 712 HA GLU 97 HA GLU 97 -9.344 4.654 -8.932 713 HB2 GLU 97 1HB GLU 97 -8.773 3.697 -11.724 714 HB3 GLU 97 2HB GLU 97 -8.789 2.577 -10.369 715 HG2 GLU 97 1HG GLU 97 -11.092 3.229 -9.862 716 HG3 GLU 97 2HG GLU 97 -11.075 4.332 -11.237 717 H LEU 98 H LEU 98 -7.878 2.920 -8.139 718 HA LEU 98 HA LEU 98 -5.186 3.974 -7.928 719 HB2 LEU 98 1HB LEU 98 -6.653 3.046 -6.023 720 HB3 LEU 98 2HB LEU 98 -6.176 1.461 -6.628 721 HG LEU 98 HG LEU 98 -3.804 2.082 -6.236 722 HD11 LEU 98 1HD1 LEU 98 -3.751 4.414 -6.317 723 HD12 LEU 98 2HD1 LEU 98 -3.514 4.038 -4.611 724 HD13 LEU 98 3HD1 LEU 98 -5.092 4.577 -5.184 725 HD21 LEU 98 1HD2 LEU 98 -3.922 1.912 -3.777 726 HD22 LEU 98 2HD2 LEU 98 -4.983 0.763 -4.592 727 HD23 LEU 98 3HD2 LEU 98 -5.656 2.220 -3.860 728 H MET 99 H MET 99 -3.406 3.150 -8.854 729 HA MET 99 HA MET 99 -3.701 0.643 -10.376 730 HB2 MET 99 1HB MET 99 -2.302 3.211 -11.024 731 HB3 MET 99 2HB MET 99 -1.716 1.705 -11.718 732 HG2 MET 99 1HG MET 99 -4.182 1.373 -12.439 733 HG3 MET 99 2HG MET 99 -4.310 3.109 -12.165 734 HE1 MET 99 1HE MET 99 -4.902 1.849 -15.105 735 HE2 MET 99 2HE MET 99 -3.459 1.442 -16.034 736 HE3 MET 99 3HE MET 99 -3.877 0.506 -14.598 737 H LEU 100 H LEU 100 -2.716 -0.933 -9.286 738 HA LEU 100 HA LEU 100 -0.096 -0.358 -8.066 739 HB2 LEU 100 1HB LEU 100 -1.880 -2.641 -7.286 740 HB3 LEU 100 2HB LEU 100 -0.521 -1.956 -6.398 741 HG LEU 100 HG LEU 100 -3.053 -0.408 -6.874 742 HD11 LEU 100 1HD1 LEU 100 -3.942 -1.169 -4.824 743 HD12 LEU 100 2HD1 LEU 100 -2.455 -2.019 -4.407 744 HD13 LEU 100 3HD1 LEU 100 -3.473 -2.615 -5.718 745 HD21 LEU 100 1HD2 LEU 100 -0.602 -0.113 -5.211 746 HD22 LEU 100 2HD2 LEU 100 -2.129 0.514 -4.588 747 HD23 LEU 100 3HD2 LEU 100 -1.499 1.097 -6.129 748 H LEU 101 H LEU 101 1.610 -1.700 -8.490 749 HA LEU 101 HA LEU 101 1.154 -3.752 -10.553 750 HB2 LEU 101 1HB LEU 101 2.534 -1.687 -11.116 751 HB3 LEU 101 2HB LEU 101 3.756 -2.344 -10.030 752 HG LEU 101 HG LEU 101 3.875 -4.363 -11.475 753 HD11 LEU 101 1HD1 LEU 101 2.931 -4.099 -13.789 754 HD12 LEU 101 2HD1 LEU 101 1.968 -2.761 -13.163 755 HD13 LEU 101 3HD1 LEU 101 1.745 -4.386 -12.515 756 HD21 LEU 101 1HD2 LEU 101 5.037 -1.893 -11.816 757 HD22 LEU 101 2HD2 LEU 101 4.434 -2.277 -13.428 758 HD23 LEU 101 3HD2 LEU 101 5.533 -3.388 -12.609 759 H VAL 102 H VAL 102 1.005 -5.623 -9.442 760 HA VAL 102 HA VAL 102 3.071 -6.215 -7.433 761 HB VAL 102 HB VAL 102 1.607 -7.951 -6.585 762 HG11 VAL 102 1HG1 VAL 102 0.138 -6.578 -5.470 763 HG12 VAL 102 2HG1 VAL 102 1.303 -5.400 -6.079 764 HG13 VAL 102 3HG1 VAL 102 -0.237 -5.629 -6.908 765 HG21 VAL 102 1HG2 VAL 102 0.597 -8.641 -8.699 766 HG22 VAL 102 2HG2 VAL 102 -0.640 -8.294 -7.491 767 HG23 VAL 102 3HG2 VAL 102 -0.305 -7.127 -8.770 768 H ARG 103 H ARG 103 4.019 -8.342 -7.410 769 HA ARG 103 HA ARG 103 4.498 -9.327 -10.108 770 HB2 ARG 103 1HB ARG 103 6.326 -8.825 -8.375 771 HB3 ARG 103 2HB ARG 103 5.825 -10.320 -7.596 772 HG2 ARG 103 1HG ARG 103 6.251 -11.485 -9.776 773 HG3 ARG 103 2HG ARG 103 6.974 -9.982 -10.352 774 HD2 ARG 103 1HD ARG 103 8.392 -10.153 -8.174 775 HD3 ARG 103 2HD ARG 103 7.923 -11.852 -8.222 776 HE ARG 103 HE ARG 103 8.986 -10.915 -10.711 777 HH11 ARG 103 2HH1 ARG 103 9.804 -12.143 -7.558 778 HH12 ARG 103 1HH1 ARG 103 11.340 -12.770 -8.057 779 HH21 ARG 103 2HH2 ARG 103 11.007 -11.736 -11.380 780 HH22 ARG 103 1HH2 ARG 103 12.024 -12.537 -10.231 781 HA PRO 104 HA PRO 104 1.761 -12.761 -9.637 782 HB2 PRO 104 1HB PRO 104 2.693 -14.258 -11.701 783 HB3 PRO 104 2HB PRO 104 1.696 -12.817 -11.933 784 HG2 PRO 104 1HG PRO 104 4.668 -13.119 -12.140 785 HG3 PRO 104 2HG PRO 104 3.557 -12.232 -13.199 786 HD2 PRO 104 1HD PRO 104 5.063 -11.004 -11.313 787 HD3 PRO 104 2HD PRO 104 3.455 -10.416 -11.783 788 H ASN 105 H ASN 105 1.926 -14.276 -8.117 789 HA ASN 105 HA ASN 105 4.410 -15.855 -7.967 790 HB2 ASN 105 1HB ASN 105 2.681 -14.714 -5.790 791 HB3 ASN 105 2HB ASN 105 3.681 -16.132 -5.487 792 HD21 ASN 105 1HD2 ASN 105 3.733 -12.763 -6.464 793 HD22 ASN 105 2HD2 ASN 105 5.365 -12.457 -5.989 794 H ALA 106 H ALA 106 3.480 -17.410 -9.390 795 HA ALA 106 HA ALA 106 1.081 -18.806 -8.546 796 HB1 ALA 106 1HB ALA 106 1.217 -19.996 -10.595 797 HB2 ALA 106 2HB ALA 106 1.629 -18.318 -10.951 798 HB3 ALA 106 3HB ALA 106 2.903 -19.532 -10.829 799 H VAL 107 H VAL 107 3.682 -18.845 -6.994 800 HA VAL 107 HA VAL 107 4.017 -21.774 -6.899 801 HB VAL 107 HB VAL 107 6.068 -20.588 -7.615 802 HG11 VAL 107 1HG1 VAL 107 7.202 -19.046 -6.265 803 HG12 VAL 107 2HG1 VAL 107 5.513 -18.541 -6.187 804 HG13 VAL 107 3HG1 VAL 107 6.230 -19.437 -4.848 805 HG21 VAL 107 1HG2 VAL 107 6.425 -22.670 -6.571 806 HG22 VAL 107 2HG2 VAL 107 7.559 -21.560 -5.801 807 HG23 VAL 107 3HG2 VAL 107 6.072 -22.019 -4.971 808 H TYR 108 H TYR 108 3.335 -22.721 -5.101 809 HA TYR 108 HA TYR 108 3.729 -21.618 -2.506 810 HB2 TYR 108 1HB TYR 108 1.543 -21.068 -1.861 811 HB3 TYR 108 2HB TYR 108 1.696 -20.357 -3.463 812 HD1 TYR 108 1HD TYR 108 1.108 -22.298 -5.370 813 HD2 TYR 108 2HD TYR 108 -0.538 -21.956 -1.461 814 HE1 TYR 108 1HE TYR 108 -0.889 -23.528 -6.110 815 HE2 TYR 108 2HE TYR 108 -2.539 -23.187 -2.190 816 HH TYR 108 HH TYR 108 -2.917 -25.019 -4.271 817 H ASP 109 H ASP 109 2.769 -23.021 -0.798 818 HA ASP 109 HA ASP 109 2.775 -25.808 -1.717 819 HB2 ASP 109 1HB ASP 109 4.478 -25.372 -0.085 820 HB3 ASP 109 2HB ASP 109 3.328 -24.575 0.985 821 H VAL 110 H VAL 110 1.079 -27.144 -1.407 822 HA VAL 110 HA VAL 110 -1.455 -25.991 -0.730 823 HB VAL 110 HB VAL 110 -0.715 -28.863 -1.308 824 HG11 VAL 110 1HG1 VAL 110 -3.422 -28.338 -1.899 825 HG12 VAL 110 2HG1 VAL 110 -2.766 -29.412 -0.662 826 HG13 VAL 110 3HG1 VAL 110 -3.123 -27.730 -0.271 827 HG21 VAL 110 1HG2 VAL 110 -1.594 -28.448 -3.526 828 HG22 VAL 110 2HG2 VAL 110 -1.993 -26.787 -3.086 829 HG23 VAL 110 3HG2 VAL 110 -0.306 -27.297 -3.169 830 H VAL 111 H VAL 111 -2.708 -26.309 1.059 831 HA VAL 111 HA VAL 111 -1.354 -27.499 3.377 832 HB VAL 111 HB VAL 111 -2.083 -25.143 3.582 833 HG11 VAL 111 1HG1 VAL 111 -4.013 -24.991 2.260 834 HG12 VAL 111 2HG1 VAL 111 -4.784 -26.353 3.075 835 HG13 VAL 111 3HG1 VAL 111 -4.592 -24.814 3.916 836 HG21 VAL 111 1HG2 VAL 111 -3.368 -27.199 5.363 837 HG22 VAL 111 2HG2 VAL 111 -1.856 -26.327 5.617 838 HG23 VAL 111 3HG2 VAL 111 -3.395 -25.472 5.724 839 H GLU 112 H GLU 112 -2.356 -29.015 4.685 840 HA GLU 112 HA GLU 112 -4.941 -30.073 3.784 841 HB2 GLU 112 1HB GLU 112 -2.433 -31.686 4.264 842 HB3 GLU 112 2HB GLU 112 -4.037 -32.392 4.124 843 HG2 GLU 112 1HG GLU 112 -2.513 -30.895 2.009 844 HG3 GLU 112 2HG GLU 112 -2.927 -32.609 2.026 845 H GLU 113 H GLU 113 -6.305 -30.566 5.396 846 HA GLU 113 HA GLU 113 -5.344 -31.241 8.036 847 HB2 GLU 113 1HB GLU 113 -6.565 -28.589 7.404 848 HB3 GLU 113 2HB GLU 113 -6.952 -29.350 8.941 849 HG2 GLU 113 1HG GLU 113 -4.498 -29.527 9.376 850 HG3 GLU 113 2HG GLU 113 -4.235 -28.557 7.928 851 H SER 114 H SER 114 -6.506 -33.049 8.264 852 HA SER 114 HA SER 114 -9.398 -32.918 7.717 853 HB2 SER 114 1HB SER 114 -9.348 -35.316 7.330 854 HB3 SER 114 2HB SER 114 -8.134 -34.539 6.313 855 HG SER 114 HG SER 114 -7.822 -36.341 8.351 856 H GLY 115 H GLY 115 -10.843 -33.759 9.223 857 HA2 GLY 115 1HA GLY 115 -9.886 -34.938 11.681 858 HA3 GLY 115 2HA GLY 115 -10.491 -33.298 11.867 859 HA PRO 116 HA PRO 116 -14.162 -36.204 10.530 860 HB2 PRO 116 1HB PRO 116 -13.781 -38.823 11.135 861 HB3 PRO 116 2HB PRO 116 -13.357 -38.128 9.566 862 HG2 PRO 116 1HG PRO 116 -11.596 -38.723 11.912 863 HG3 PRO 116 2HG PRO 116 -11.298 -39.011 10.188 864 HD2 PRO 116 1HD PRO 116 -10.245 -36.899 11.516 865 HD3 PRO 116 2HD PRO 116 -10.690 -36.822 9.799 866 H SER 117 H SER 117 -15.801 -36.178 11.944 867 HA SER 117 HA SER 117 -15.376 -37.151 14.672 868 HB2 SER 117 1HB SER 117 -15.060 -34.561 14.371 869 HB3 SER 117 2HB SER 117 -16.822 -34.550 14.302 870 HG SER 117 HG SER 117 -15.906 -34.284 16.442 871 H SER 118 H SER 118 -17.681 -36.700 15.860 872 HA SER 118 HA SER 118 -19.968 -37.107 14.186 873 HB2 SER 118 1HB SER 118 -18.598 -39.435 15.440 874 HB3 SER 118 2HB SER 118 -20.360 -39.408 15.489 875 HG SER 118 HG SER 118 -20.378 -39.249 13.241 876 H GLY 119 H GLY 119 -21.902 -37.837 15.655 877 HA2 GLY 119 1HA GLY 119 -22.374 -35.869 17.533 878 HA3 GLY 119 2HA GLY 119 -23.239 -37.398 17.471 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -25.834 4.009 -47.759 2 HA2 GLY 1 1HA GLY 1 -24.791 6.198 -46.333 3 HA3 GLY 1 2HA GLY 1 -25.533 5.091 -45.187 4 H SER 2 H SER 2 -23.088 5.286 -44.591 5 HA SER 2 HA SER 2 -21.728 2.994 -45.847 6 HB2 SER 2 1HB SER 2 -20.559 5.651 -45.020 7 HB3 SER 2 2HB SER 2 -19.562 4.217 -45.265 8 HG SER 2 HG SER 2 -19.640 4.647 -47.307 9 H SER 3 H SER 3 -19.870 2.224 -44.359 10 HA SER 3 HA SER 3 -20.064 2.630 -41.566 11 HB2 SER 3 1HB SER 3 -22.195 1.250 -42.241 12 HB3 SER 3 2HB SER 3 -21.061 -0.098 -42.308 13 HG SER 3 HG SER 3 -21.192 1.611 -40.065 14 H GLY 4 H GLY 4 -18.715 1.062 -40.339 15 HA2 GLY 4 1HA GLY 4 -16.954 -0.648 -41.872 16 HA3 GLY 4 2HA GLY 4 -16.185 0.803 -41.244 17 H SER 5 H SER 5 -16.246 -2.287 -40.665 18 HA SER 5 HA SER 5 -16.244 -1.955 -37.738 19 HB2 SER 5 1HB SER 5 -17.133 -4.407 -39.277 20 HB3 SER 5 2HB SER 5 -17.048 -4.271 -37.521 21 HG SER 5 HG SER 5 -18.594 -2.553 -37.700 22 H SER 6 H SER 6 -15.071 -4.007 -36.753 23 HA SER 6 HA SER 6 -12.715 -4.695 -38.349 24 HB2 SER 6 1HB SER 6 -11.203 -4.137 -36.494 25 HB3 SER 6 2HB SER 6 -12.086 -2.710 -37.037 26 HG SER 6 HG SER 6 -12.825 -2.536 -35.091 27 H GLY 7 H GLY 7 -12.783 -6.846 -38.408 28 HA2 GLY 7 1HA GLY 7 -13.741 -8.319 -36.061 29 HA3 GLY 7 2HA GLY 7 -13.547 -8.972 -37.681 30 H ASN 8 H ASN 8 -11.322 -7.240 -35.505 31 HA ASN 8 HA ASN 8 -9.680 -9.620 -35.236 32 HB2 ASN 8 1HB ASN 8 -8.828 -7.178 -36.767 33 HB3 ASN 8 2HB ASN 8 -7.636 -8.164 -35.925 34 HD21 ASN 8 1HD2 ASN 8 -8.351 -10.667 -36.318 35 HD22 ASN 8 2HD2 ASN 8 -8.414 -11.061 -37.999 36 H GLY 9 H GLY 9 -8.291 -9.563 -33.468 37 HA2 GLY 9 1HA GLY 9 -7.775 -7.174 -31.989 38 HA3 GLY 9 2HA GLY 9 -9.045 -8.131 -31.240 39 H GLY 10 H GLY 10 -5.718 -7.656 -31.517 40 HA2 GLY 10 1HA GLY 10 -5.073 -10.355 -30.566 41 HA3 GLY 10 2HA GLY 10 -3.916 -9.148 -31.108 42 H ILE 11 H ILE 11 -5.338 -10.621 -28.440 43 HA ILE 11 HA ILE 11 -5.385 -8.668 -26.481 44 HB ILE 11 HB ILE 11 -5.106 -10.408 -24.847 45 HG12 ILE 11 1HG1 ILE 11 -3.141 -11.491 -25.940 46 HG13 ILE 11 2HG1 ILE 11 -4.353 -12.641 -25.385 47 HG21 ILE 11 1HG2 ILE 11 -6.610 -12.235 -26.145 48 HG22 ILE 11 2HG2 ILE 11 -7.238 -10.719 -25.501 49 HG23 ILE 11 3HG2 ILE 11 -6.809 -10.841 -27.207 50 HD11 ILE 11 1HD1 ILE 11 -5.226 -12.438 -27.840 51 HD12 ILE 11 2HD1 ILE 11 -3.580 -11.887 -28.153 52 HD13 ILE 11 3HD1 ILE 11 -3.858 -13.480 -27.449 53 HA PRO 12 HA PRO 12 -1.230 -7.395 -25.826 54 HB2 PRO 12 1HB PRO 12 -1.322 -6.774 -23.185 55 HB3 PRO 12 2HB PRO 12 -2.086 -5.782 -24.432 56 HG2 PRO 12 1HG PRO 12 -3.316 -7.818 -22.615 57 HG3 PRO 12 2HG PRO 12 -3.926 -6.218 -23.079 58 HD2 PRO 12 1HD PRO 12 -4.829 -8.507 -24.210 59 HD3 PRO 12 2HD PRO 12 -4.733 -6.974 -25.101 60 H HIS 13 H HIS 13 0.614 -7.719 -24.165 61 HA HIS 13 HA HIS 13 0.583 -10.406 -23.003 62 HB2 HIS 13 1HB HIS 13 2.715 -10.988 -24.026 63 HB3 HIS 13 2HB HIS 13 1.529 -10.624 -25.276 64 HD1 HIS 13 1HD HIS 13 4.920 -9.995 -24.482 65 HD2 HIS 13 2HD HIS 13 1.848 -7.706 -26.087 66 HE1 HIS 13 1HE HIS 13 6.051 -8.080 -25.655 67 HE2 HIS 13 2HE HIS 13 4.170 -6.662 -26.546 68 H ASP 14 H ASP 14 1.008 -10.044 -20.928 69 HA ASP 14 HA ASP 14 3.381 -8.480 -20.238 70 HB2 ASP 14 1HB ASP 14 0.844 -8.114 -18.661 71 HB3 ASP 14 2HB ASP 14 2.299 -7.120 -18.651 72 H ASN 15 H ASN 15 4.422 -9.137 -18.368 73 HA ASN 15 HA ASN 15 3.684 -11.795 -17.440 74 HB2 ASN 15 1HB ASN 15 6.149 -10.095 -17.041 75 HB3 ASN 15 2HB ASN 15 5.920 -11.655 -16.256 76 HD21 ASN 15 1HD2 ASN 15 7.395 -10.217 -18.744 77 HD22 ASN 15 2HD2 ASN 15 7.477 -11.530 -19.863 78 H LEU 16 H LEU 16 4.539 -8.658 -15.980 79 HA LEU 16 HA LEU 16 3.852 -9.394 -13.343 80 HB2 LEU 16 1HB LEU 16 4.139 -6.733 -14.710 81 HB3 LEU 16 2HB LEU 16 3.734 -6.878 -13.001 82 HG LEU 16 HG LEU 16 6.199 -6.471 -13.735 83 HD11 LEU 16 1HD1 LEU 16 6.865 -8.154 -11.826 84 HD12 LEU 16 2HD1 LEU 16 5.118 -8.258 -11.617 85 HD13 LEU 16 3HD1 LEU 16 5.931 -6.699 -11.477 86 HD21 LEU 16 1HD2 LEU 16 7.447 -8.600 -13.969 87 HD22 LEU 16 2HD2 LEU 16 6.393 -8.252 -15.339 88 HD23 LEU 16 3HD2 LEU 16 5.908 -9.445 -14.133 89 H VAL 17 H VAL 17 2.015 -9.019 -12.125 90 HA VAL 17 HA VAL 17 -0.456 -8.877 -13.644 91 HB VAL 17 HB VAL 17 -0.004 -9.327 -10.691 92 HG11 VAL 17 1HG1 VAL 17 -2.428 -8.952 -12.310 93 HG12 VAL 17 2HG1 VAL 17 -2.456 -10.343 -11.225 94 HG13 VAL 17 3HG1 VAL 17 -2.170 -8.726 -10.581 95 HG21 VAL 17 1HG2 VAL 17 -1.088 -11.589 -12.002 96 HG22 VAL 17 2HG2 VAL 17 0.304 -11.047 -12.940 97 HG23 VAL 17 3HG2 VAL 17 0.488 -11.425 -11.227 98 H LEU 18 H LEU 18 -1.981 -7.285 -13.507 99 HA LEU 18 HA LEU 18 -1.201 -4.864 -12.020 100 HB2 LEU 18 1HB LEU 18 -1.115 -4.421 -14.352 101 HB3 LEU 18 2HB LEU 18 -2.673 -5.199 -14.622 102 HG LEU 18 HG LEU 18 -3.493 -3.248 -13.014 103 HD11 LEU 18 1HD1 LEU 18 -1.357 -2.266 -12.579 104 HD12 LEU 18 2HD1 LEU 18 -2.268 -1.165 -13.612 105 HD13 LEU 18 3HD1 LEU 18 -0.993 -2.169 -14.302 106 HD21 LEU 18 1HD2 LEU 18 -2.902 -2.534 -15.860 107 HD22 LEU 18 2HD2 LEU 18 -4.342 -2.197 -14.899 108 HD23 LEU 18 3HD2 LEU 18 -4.030 -3.835 -15.476 109 H ILE 19 H ILE 19 -2.606 -3.990 -10.608 110 HA ILE 19 HA ILE 19 -5.207 -5.329 -10.305 111 HB ILE 19 HB ILE 19 -3.722 -3.686 -8.253 112 HG12 ILE 19 1HG1 ILE 19 -2.676 -5.919 -9.013 113 HG13 ILE 19 2HG1 ILE 19 -2.915 -5.666 -7.288 114 HG21 ILE 19 1HG2 ILE 19 -5.403 -5.177 -6.823 115 HG22 ILE 19 2HG2 ILE 19 -5.851 -3.600 -7.470 116 HG23 ILE 19 3HG2 ILE 19 -6.339 -5.069 -8.314 117 HD11 ILE 19 1HD1 ILE 19 -4.565 -7.234 -7.150 118 HD12 ILE 19 2HD1 ILE 19 -5.053 -7.031 -8.833 119 HD13 ILE 19 3HD1 ILE 19 -3.581 -7.920 -8.443 120 H ARG 20 H ARG 20 -6.854 -4.232 -11.130 121 HA ARG 20 HA ARG 20 -6.784 -1.290 -11.029 122 HB2 ARG 20 1HB ARG 20 -8.260 -3.133 -12.917 123 HB3 ARG 20 2HB ARG 20 -8.432 -1.382 -12.896 124 HG2 ARG 20 1HG ARG 20 -5.987 -1.213 -13.367 125 HG3 ARG 20 2HG ARG 20 -5.966 -2.966 -13.574 126 HD2 ARG 20 1HD ARG 20 -7.945 -1.337 -15.101 127 HD3 ARG 20 2HD ARG 20 -6.265 -1.372 -15.636 128 HE ARG 20 HE ARG 20 -6.533 -3.571 -16.277 129 HH11 ARG 20 2HH1 ARG 20 -9.310 -2.501 -14.470 130 HH12 ARG 20 1HH1 ARG 20 -10.269 -3.885 -14.874 131 HH21 ARG 20 2HH2 ARG 20 -7.787 -5.399 -16.815 132 HH22 ARG 20 1HH2 ARG 20 -9.402 -5.534 -16.207 133 H MET 21 H MET 21 -8.202 -0.290 -9.761 134 HA MET 21 HA MET 21 -10.830 -1.385 -9.279 135 HB2 MET 21 1HB MET 21 -10.668 -1.609 -6.914 136 HB3 MET 21 2HB MET 21 -9.323 -2.511 -7.601 137 HG2 MET 21 1HG MET 21 -8.862 0.314 -6.816 138 HG3 MET 21 2HG MET 21 -9.014 -0.897 -5.544 139 HE1 MET 21 1HE MET 21 -6.254 -3.064 -5.559 140 HE2 MET 21 2HE MET 21 -6.042 -1.533 -4.709 141 HE3 MET 21 3HE MET 21 -7.638 -2.280 -4.795 142 H LYS 22 H LYS 22 -12.020 0.100 -7.642 143 HA LYS 22 HA LYS 22 -11.202 2.884 -8.159 144 HB2 LYS 22 1HB LYS 22 -13.619 3.451 -8.178 145 HB3 LYS 22 2HB LYS 22 -13.154 2.366 -9.482 146 HG2 LYS 22 1HG LYS 22 -15.079 1.366 -8.783 147 HG3 LYS 22 2HG LYS 22 -13.904 0.514 -7.778 148 HD2 LYS 22 1HD LYS 22 -15.435 1.093 -6.181 149 HD3 LYS 22 2HD LYS 22 -14.395 2.517 -6.125 150 HE2 LYS 22 1HE LYS 22 -16.704 2.482 -8.010 151 HE3 LYS 22 2HE LYS 22 -17.008 2.751 -6.295 152 HZ1 LYS 22 1HZ LYS 22 -16.613 4.876 -6.829 153 HZ2 LYS 22 2HZ LYS 22 -15.772 4.492 -8.245 154 HZ3 LYS 22 3HZ LYS 22 -14.981 4.437 -6.751 155 HA PRO 23 HA PRO 23 -11.305 3.627 -3.832 156 HB2 PRO 23 1HB PRO 23 -12.054 6.236 -3.780 157 HB3 PRO 23 2HB PRO 23 -10.448 5.707 -4.295 158 HG2 PRO 23 1HG PRO 23 -12.819 6.459 -5.960 159 HG3 PRO 23 2HG PRO 23 -11.113 6.885 -6.187 160 HD2 PRO 23 1HD PRO 23 -12.319 4.909 -7.591 161 HD3 PRO 23 2HD PRO 23 -10.602 4.852 -7.145 162 H ASP 24 H ASP 24 -12.719 3.264 -2.231 163 HA ASP 24 HA ASP 24 -15.394 2.713 -2.632 164 HB2 ASP 24 1HB ASP 24 -13.727 3.290 -0.230 165 HB3 ASP 24 2HB ASP 24 -15.477 3.291 -0.031 166 H GLU 25 H GLU 25 -17.185 3.885 -1.270 167 HA GLU 25 HA GLU 25 -17.848 6.240 -2.548 168 HB2 GLU 25 1HB GLU 25 -19.476 6.577 -0.651 169 HB3 GLU 25 2HB GLU 25 -19.565 5.015 -1.452 170 HG2 GLU 25 1HG GLU 25 -18.235 4.030 0.365 171 HG3 GLU 25 2HG GLU 25 -18.224 5.593 1.179 172 H ASN 26 H ASN 26 -16.343 5.825 0.640 173 HA ASN 26 HA ASN 26 -16.118 8.659 1.073 174 HB2 ASN 26 1HB ASN 26 -15.267 6.201 2.557 175 HB3 ASN 26 2HB ASN 26 -14.549 7.752 2.983 176 HD21 ASN 26 1HD2 ASN 26 -15.751 9.262 4.042 177 HD22 ASN 26 2HD2 ASN 26 -17.340 8.961 4.648 178 H GLY 27 H GLY 27 -14.134 6.132 -0.264 179 HA2 GLY 27 1HA GLY 27 -12.371 6.678 -1.795 180 HA3 GLY 27 2HA GLY 27 -12.090 8.156 -0.886 181 H ARG 28 H ARG 28 -12.288 4.707 -0.001 182 HA ARG 28 HA ARG 28 -9.515 4.803 0.903 183 HB2 ARG 28 1HB ARG 28 -11.888 4.254 2.668 184 HB3 ARG 28 2HB ARG 28 -10.298 3.606 3.047 185 HG2 ARG 28 1HG ARG 28 -9.375 5.795 3.256 186 HG3 ARG 28 2HG ARG 28 -10.854 6.533 2.638 187 HD2 ARG 28 1HD ARG 28 -11.134 6.833 4.896 188 HD3 ARG 28 2HD ARG 28 -11.954 5.289 4.664 189 HE ARG 28 HE ARG 28 -9.471 5.753 6.076 190 HH11 ARG 28 2HH1 ARG 28 -11.583 3.427 4.575 191 HH12 ARG 28 1HH1 ARG 28 -10.941 2.081 5.456 192 HH21 ARG 28 2HH2 ARG 28 -8.617 3.989 7.242 193 HH22 ARG 28 1HH2 ARG 28 -9.254 2.402 6.973 194 H PHE 29 H PHE 29 -8.463 2.861 0.788 195 HA PHE 29 HA PHE 29 -9.881 0.735 -0.607 196 HB2 PHE 29 1HB PHE 29 -6.940 1.044 0.034 197 HB3 PHE 29 2HB PHE 29 -7.637 -0.222 -0.971 198 HD1 PHE 29 1HD PHE 29 -8.719 0.394 -3.135 199 HD2 PHE 29 2HD PHE 29 -6.457 3.174 -0.839 200 HE1 PHE 29 1HE PHE 29 -8.494 1.839 -5.113 201 HE2 PHE 29 2HE PHE 29 -6.230 4.624 -2.814 202 HZ PHE 29 HZ PHE 29 -7.249 3.958 -4.954 203 H GLY 30 H GLY 30 -8.763 -1.553 0.054 204 HA2 GLY 30 1HA GLY 30 -8.948 -1.794 2.985 205 HA3 GLY 30 2HA GLY 30 -9.925 -2.827 1.952 206 H PHE 31 H PHE 31 -6.527 -1.851 2.400 207 HA PHE 31 HA PHE 31 -5.707 -4.607 2.538 208 HB2 PHE 31 1HB PHE 31 -4.234 -4.595 0.623 209 HB3 PHE 31 2HB PHE 31 -5.861 -4.196 0.083 210 HD1 PHE 31 1HD PHE 31 -2.482 -2.906 0.664 211 HD2 PHE 31 2HD PHE 31 -6.385 -2.021 -0.786 212 HE1 PHE 31 1HE PHE 31 -1.620 -0.860 -0.396 213 HE2 PHE 31 2HE PHE 31 -5.529 0.026 -1.849 214 HZ PHE 31 HZ PHE 31 -3.144 0.609 -1.655 215 H ASN 32 H ASN 32 -4.007 -4.786 3.857 216 HA ASN 32 HA ASN 32 -2.606 -2.327 4.625 217 HB2 ASN 32 1HB ASN 32 -3.781 -3.817 6.342 218 HB3 ASN 32 2HB ASN 32 -2.479 -4.972 6.068 219 HD21 ASN 32 1HD2 ASN 32 -1.298 -4.891 7.853 220 HD22 ASN 32 2HD2 ASN 32 -0.630 -3.458 8.550 221 H VAL 33 H VAL 33 -0.330 -2.282 4.824 222 HA VAL 33 HA VAL 33 1.106 -4.442 3.435 223 HB VAL 33 HB VAL 33 2.513 -2.821 2.284 224 HG11 VAL 33 1HG1 VAL 33 -0.356 -2.089 1.754 225 HG12 VAL 33 2HG1 VAL 33 0.983 -2.162 0.606 226 HG13 VAL 33 3HG1 VAL 33 0.334 -3.648 1.302 227 HG21 VAL 33 1HG2 VAL 33 0.698 -0.714 3.452 228 HG22 VAL 33 2HG2 VAL 33 2.363 -1.016 3.947 229 HG23 VAL 33 3HG2 VAL 33 2.019 -0.442 2.315 230 H LYS 34 H LYS 34 3.341 -4.643 3.980 231 HA LYS 34 HA LYS 34 4.212 -3.176 6.366 232 HB2 LYS 34 1HB LYS 34 5.032 -5.288 7.371 233 HB3 LYS 34 2HB LYS 34 3.280 -5.238 7.223 234 HG2 LYS 34 1HG LYS 34 3.254 -6.801 5.506 235 HG3 LYS 34 2HG LYS 34 4.956 -6.544 5.116 236 HD2 LYS 34 1HD LYS 34 5.486 -7.490 7.404 237 HD3 LYS 34 2HD LYS 34 3.792 -7.979 7.494 238 HE2 LYS 34 1HE LYS 34 4.014 -9.504 5.750 239 HE3 LYS 34 2HE LYS 34 5.479 -8.738 5.138 240 HZ1 LYS 34 1HZ LYS 34 6.774 -9.738 6.724 241 HZ2 LYS 34 2HZ LYS 34 5.623 -10.949 6.459 242 HZ3 LYS 34 3HZ LYS 34 5.500 -9.947 7.817 243 H GLY 35 H GLY 35 6.386 -2.776 6.478 244 HA2 GLY 35 1HA GLY 35 8.662 -3.517 5.851 245 HA3 GLY 35 2HA GLY 35 8.014 -3.831 4.248 246 H GLY 36 H GLY 36 9.996 -2.409 3.832 247 HA2 GLY 36 1HA GLY 36 9.610 -0.191 2.536 248 HA3 GLY 36 2HA GLY 36 9.363 0.441 4.157 249 H TYR 37 H TYR 37 11.306 1.517 2.567 250 HA TYR 37 HA TYR 37 13.841 0.471 2.593 251 HB2 TYR 37 1HB TYR 37 13.052 2.684 1.605 252 HB3 TYR 37 2HB TYR 37 13.283 3.372 3.208 253 HD1 TYR 37 2HD TYR 37 15.236 1.139 0.921 254 HD2 TYR 37 1HD TYR 37 15.232 4.568 3.440 255 HE1 TYR 37 2HE TYR 37 17.613 1.508 0.413 256 HE2 TYR 37 1HE TYR 37 17.609 4.947 2.938 257 HH TYR 37 HH TYR 37 19.581 2.658 1.544 258 H ASP 38 H ASP 38 12.038 1.844 5.250 259 HA ASP 38 HA ASP 38 14.154 2.234 7.060 260 HB2 ASP 38 1HB ASP 38 11.943 3.186 7.445 261 HB3 ASP 38 2HB ASP 38 11.251 1.573 7.597 262 H GLN 39 H GLN 39 12.062 -0.567 6.469 263 HA GLN 39 HA GLN 39 13.658 -2.154 8.339 264 HB2 GLN 39 1HB GLN 39 10.961 -2.461 7.096 265 HB3 GLN 39 2HB GLN 39 11.821 -3.907 7.608 266 HG2 GLN 39 1HG GLN 39 12.107 -2.495 9.830 267 HG3 GLN 39 2HG GLN 39 10.644 -1.721 9.224 268 HE21 GLN 39 1HE2 GLN 39 11.036 -3.403 11.574 269 HE22 GLN 39 2HE2 GLN 39 9.945 -4.731 11.400 270 H LYS 40 H LYS 40 14.394 -1.233 5.516 271 HA LYS 40 HA LYS 40 15.206 -2.120 3.544 272 HB2 LYS 40 1HB LYS 40 16.549 -3.557 5.811 273 HB3 LYS 40 2HB LYS 40 16.984 -3.928 4.147 274 HG2 LYS 40 1HG LYS 40 16.999 -1.106 5.142 275 HG3 LYS 40 2HG LYS 40 18.366 -2.184 5.433 276 HD2 LYS 40 1HD LYS 40 17.221 -1.756 2.687 277 HD3 LYS 40 2HD LYS 40 18.471 -0.706 3.357 278 HE2 LYS 40 1HE LYS 40 18.732 -3.700 3.151 279 HE3 LYS 40 2HE LYS 40 19.309 -2.583 1.916 280 HZ1 LYS 40 1HZ LYS 40 20.935 -3.393 3.710 281 HZ2 LYS 40 2HZ LYS 40 20.163 -2.279 4.721 282 HZ3 LYS 40 3HZ LYS 40 20.933 -1.749 3.311 283 H MET 41 H MET 41 12.668 -3.242 4.152 284 HA MET 41 HA MET 41 13.012 -5.915 2.970 285 HB2 MET 41 1HB MET 41 11.360 -6.857 4.332 286 HB3 MET 41 2HB MET 41 12.287 -5.855 5.440 287 HG2 MET 41 1HG MET 41 10.616 -4.190 5.486 288 HG3 MET 41 2HG MET 41 9.770 -4.903 4.114 289 HE1 MET 41 1HE MET 41 7.529 -6.392 4.608 290 HE2 MET 41 2HE MET 41 8.944 -7.341 4.151 291 HE3 MET 41 3HE MET 41 7.912 -7.879 5.477 292 HA PRO 42 HA PRO 42 10.258 -4.616 -0.193 293 HB2 PRO 42 1HB PRO 42 9.052 -6.965 -0.826 294 HB3 PRO 42 2HB PRO 42 10.730 -6.602 -1.248 295 HG2 PRO 42 1HG PRO 42 9.658 -8.220 1.031 296 HG3 PRO 42 2HG PRO 42 11.033 -8.563 -0.036 297 HD2 PRO 42 1HD PRO 42 11.341 -7.550 2.457 298 HD3 PRO 42 2HD PRO 42 12.445 -7.157 1.123 299 H VAL 43 H VAL 43 8.054 -4.239 -0.704 300 HA VAL 43 HA VAL 43 6.320 -4.236 1.633 301 HB VAL 43 HB VAL 43 5.762 -3.059 -1.089 302 HG11 VAL 43 1HG1 VAL 43 3.811 -3.419 0.383 303 HG12 VAL 43 2HG1 VAL 43 4.583 -2.416 1.612 304 HG13 VAL 43 3HG1 VAL 43 4.120 -1.713 0.062 305 HG21 VAL 43 1HG2 VAL 43 7.257 -1.473 -0.669 306 HG22 VAL 43 2HG2 VAL 43 6.383 -1.050 0.803 307 HG23 VAL 43 3HG2 VAL 43 7.677 -2.246 0.859 308 H ILE 44 H ILE 44 5.000 -5.885 1.988 309 HA ILE 44 HA ILE 44 3.635 -7.120 -0.302 310 HB ILE 44 HB ILE 44 4.858 -8.633 2.008 311 HG12 ILE 44 1HG1 ILE 44 5.976 -9.770 -0.097 312 HG13 ILE 44 2HG1 ILE 44 5.624 -8.220 -0.853 313 HG21 ILE 44 1HG2 ILE 44 3.650 -10.442 1.466 314 HG22 ILE 44 2HG2 ILE 44 2.564 -9.285 0.697 315 HG23 ILE 44 3HG2 ILE 44 3.777 -10.129 -0.265 316 HD11 ILE 44 1HD1 ILE 44 7.904 -8.381 0.076 317 HD12 ILE 44 2HD1 ILE 44 6.955 -7.068 0.775 318 HD13 ILE 44 3HD1 ILE 44 7.202 -8.559 1.684 319 H VAL 45 H VAL 45 1.504 -7.462 -0.024 320 HA VAL 45 HA VAL 45 0.046 -6.205 1.950 321 HB VAL 45 HB VAL 45 -0.782 -8.637 0.359 322 HG11 VAL 45 1HG1 VAL 45 -2.106 -7.276 2.465 323 HG12 VAL 45 2HG1 VAL 45 -2.950 -6.903 0.961 324 HG13 VAL 45 3HG1 VAL 45 -2.714 -8.582 1.448 325 HG21 VAL 45 1HG2 VAL 45 -0.453 -7.173 -1.330 326 HG22 VAL 45 2HG2 VAL 45 -2.025 -6.561 -0.817 327 HG23 VAL 45 3HG2 VAL 45 -0.549 -5.764 -0.274 328 H SER 46 H SER 46 -0.442 -6.628 4.004 329 HA SER 46 HA SER 46 0.530 -9.094 5.196 330 HB2 SER 46 1HB SER 46 0.971 -6.894 6.274 331 HB3 SER 46 2HB SER 46 -0.763 -6.702 6.530 332 HG SER 46 HG SER 46 0.583 -8.993 7.464 333 H ARG 47 H ARG 47 -2.532 -7.274 5.102 334 HA ARG 47 HA ARG 47 -3.990 -9.801 5.182 335 HB2 ARG 47 1HB ARG 47 -3.678 -8.816 7.542 336 HB3 ARG 47 2HB ARG 47 -4.803 -7.567 7.026 337 HG2 ARG 47 1HG ARG 47 -6.092 -9.167 8.163 338 HG3 ARG 47 2HG ARG 47 -6.406 -9.434 6.447 339 HD2 ARG 47 1HD ARG 47 -4.543 -11.183 6.569 340 HD3 ARG 47 2HD ARG 47 -4.710 -11.056 8.320 341 HE ARG 47 HE ARG 47 -7.224 -11.507 7.078 342 HH11 ARG 47 2HH1 ARG 47 -4.272 -13.097 8.015 343 HH12 ARG 47 1HH1 ARG 47 -5.011 -14.655 8.184 344 HH21 ARG 47 2HH2 ARG 47 -8.209 -13.553 7.298 345 HH22 ARG 47 1HH2 ARG 47 -7.251 -14.913 7.775 346 H VAL 48 H VAL 48 -6.240 -9.583 4.559 347 HA VAL 48 HA VAL 48 -6.916 -7.062 3.220 348 HB VAL 48 HB VAL 48 -7.156 -9.772 1.906 349 HG11 VAL 48 1HG1 VAL 48 -7.518 -7.297 0.350 350 HG12 VAL 48 2HG1 VAL 48 -8.381 -8.834 0.261 351 HG13 VAL 48 3HG1 VAL 48 -8.792 -7.662 1.513 352 HG21 VAL 48 1HG2 VAL 48 -5.567 -8.558 0.241 353 HG22 VAL 48 2HG2 VAL 48 -5.180 -7.545 1.631 354 HG23 VAL 48 3HG2 VAL 48 -4.905 -9.285 1.705 355 H ALA 49 H ALA 49 -8.760 -6.422 4.110 356 HA ALA 49 HA ALA 49 -10.602 -8.302 5.293 357 HB1 ALA 49 1HB ALA 49 -11.362 -5.457 4.990 358 HB2 ALA 49 2HB ALA 49 -11.507 -6.530 6.383 359 HB3 ALA 49 3HB ALA 49 -9.947 -5.812 5.982 360 HA PRO 50 HA PRO 50 -13.322 -8.809 1.877 361 HB2 PRO 50 1HB PRO 50 -15.650 -9.277 3.194 362 HB3 PRO 50 2HB PRO 50 -14.339 -10.459 3.110 363 HG2 PRO 50 1HG PRO 50 -15.039 -8.561 5.317 364 HG3 PRO 50 2HG PRO 50 -14.564 -10.267 5.417 365 HD2 PRO 50 1HD PRO 50 -12.834 -8.242 5.907 366 HD3 PRO 50 2HD PRO 50 -12.321 -9.785 5.195 367 H GLY 51 H GLY 51 -15.570 -8.055 1.117 368 HA2 GLY 51 1HA GLY 51 -16.864 -6.293 0.418 369 HA3 GLY 51 2HA GLY 51 -16.845 -5.793 2.103 370 H THR 52 H THR 52 -13.972 -6.030 0.108 371 HA THR 52 HA THR 52 -13.780 -3.088 0.143 372 HB THR 52 HB THR 52 -11.281 -3.420 0.193 373 HG1 THR 52 1HG THR 52 -12.008 -6.068 0.965 374 HG21 THR 52 1HG2 THR 52 -13.153 -4.008 2.415 375 HG22 THR 52 2HG2 THR 52 -11.955 -2.724 2.252 376 HG23 THR 52 3HG2 THR 52 -11.448 -4.353 2.696 377 HA PRO 53 HA PRO 53 -13.239 -3.156 -4.215 378 HB2 PRO 53 1HB PRO 53 -11.579 -1.036 -4.566 379 HB3 PRO 53 2HB PRO 53 -13.284 -0.860 -4.134 380 HG2 PRO 53 1HG PRO 53 -10.862 -0.744 -2.377 381 HG3 PRO 53 2HG PRO 53 -12.298 0.298 -2.375 382 HD2 PRO 53 1HD PRO 53 -11.956 -1.717 -0.598 383 HD3 PRO 53 2HD PRO 53 -13.556 -1.227 -1.190 384 H ALA 54 H ALA 54 -10.802 -3.994 -2.114 385 HA ALA 54 HA ALA 54 -8.760 -4.315 -4.184 386 HB1 ALA 54 1HB ALA 54 -8.643 -4.777 -1.206 387 HB2 ALA 54 2HB ALA 54 -7.291 -4.990 -2.319 388 HB3 ALA 54 3HB ALA 54 -7.997 -3.391 -2.086 389 H ASP 55 H ASP 55 -11.135 -6.108 -2.458 390 HA ASP 55 HA ASP 55 -9.923 -8.669 -3.188 391 HB2 ASP 55 1HB ASP 55 -11.086 -8.037 -0.893 392 HB3 ASP 55 2HB ASP 55 -12.545 -8.487 -1.771 393 H LEU 56 H LEU 56 -13.224 -7.318 -3.306 394 HA LEU 56 HA LEU 56 -14.377 -9.031 -5.074 395 HB2 LEU 56 1HB LEU 56 -14.752 -6.040 -5.063 396 HB3 LEU 56 2HB LEU 56 -15.876 -7.224 -5.727 397 HG LEU 56 HG LEU 56 -15.138 -7.253 -2.819 398 HD11 LEU 56 1HD1 LEU 56 -17.617 -6.019 -3.028 399 HD12 LEU 56 2HD1 LEU 56 -16.607 -5.195 -4.216 400 HD13 LEU 56 3HD1 LEU 56 -16.099 -5.272 -2.529 401 HD21 LEU 56 1HD2 LEU 56 -16.555 -8.995 -4.336 402 HD22 LEU 56 2HD2 LEU 56 -17.838 -7.927 -3.765 403 HD23 LEU 56 3HD2 LEU 56 -16.796 -8.755 -2.606 404 H CYS 57 H CYS 57 -12.330 -6.257 -5.870 405 HA CYS 57 HA CYS 57 -12.613 -6.228 -8.623 406 HB2 CYS 57 1HB CYS 57 -10.598 -4.990 -8.710 407 HB3 CYS 57 2HB CYS 57 -11.311 -4.607 -7.148 408 HG CYS 57 HG CYS 57 -8.381 -4.999 -7.260 409 H VAL 58 H VAL 58 -11.308 -7.083 -10.325 410 HA VAL 58 HA VAL 58 -10.080 -9.678 -9.647 411 HB VAL 58 HB VAL 58 -11.481 -8.885 -12.205 412 HG11 VAL 58 1HG1 VAL 58 -9.485 -10.818 -11.779 413 HG12 VAL 58 2HG1 VAL 58 -11.009 -11.696 -11.921 414 HG13 VAL 58 3HG1 VAL 58 -10.497 -10.604 -13.208 415 HG21 VAL 58 1HG2 VAL 58 -12.448 -11.165 -10.623 416 HG22 VAL 58 2HG2 VAL 58 -12.660 -9.586 -9.866 417 HG23 VAL 58 3HG2 VAL 58 -13.347 -9.900 -11.460 418 HA PRO 59 HA PRO 59 -8.636 -11.012 -9.978 419 HB2 PRO 59 1HB PRO 59 -6.177 -11.137 -8.833 420 HB3 PRO 59 2HB PRO 59 -6.493 -11.663 -10.491 421 HG2 PRO 59 1HG PRO 59 -5.335 -9.082 -9.510 422 HG3 PRO 59 2HG PRO 59 -4.822 -10.092 -10.875 423 HD2 PRO 59 1HD PRO 59 -6.319 -7.858 -11.196 424 HD3 PRO 59 2HD PRO 59 -6.466 -9.269 -12.264 425 H ARG 60 H ARG 60 -8.329 -11.603 -7.628 426 HA ARG 60 HA ARG 60 -9.180 -9.351 -5.997 427 HB2 ARG 60 1HB ARG 60 -10.511 -11.340 -5.806 428 HB3 ARG 60 2HB ARG 60 -9.090 -12.325 -5.488 429 HG2 ARG 60 1HG ARG 60 -8.839 -10.688 -3.437 430 HG3 ARG 60 2HG ARG 60 -10.576 -10.496 -3.685 431 HD2 ARG 60 1HD ARG 60 -10.580 -12.273 -2.249 432 HD3 ARG 60 2HD ARG 60 -10.505 -13.128 -3.789 433 HE ARG 60 HE ARG 60 -7.899 -12.592 -2.820 434 HH11 ARG 60 2HH1 ARG 60 -10.656 -14.653 -2.294 435 HH12 ARG 60 1HH1 ARG 60 -9.721 -15.956 -1.639 436 HH21 ARG 60 2HH2 ARG 60 -6.657 -14.301 -1.959 437 HH22 ARG 60 1HH2 ARG 60 -7.447 -15.755 -1.448 438 H LEU 61 H LEU 61 -7.712 -8.183 -4.962 439 HA LEU 61 HA LEU 61 -5.028 -8.896 -4.611 440 HB2 LEU 61 1HB LEU 61 -6.115 -6.585 -4.549 441 HB3 LEU 61 2HB LEU 61 -6.488 -6.938 -2.863 442 HG LEU 61 HG LEU 61 -4.042 -7.216 -2.454 443 HD11 LEU 61 1HD1 LEU 61 -3.300 -7.734 -4.688 444 HD12 LEU 61 2HD1 LEU 61 -2.504 -6.261 -4.134 445 HD13 LEU 61 3HD1 LEU 61 -3.848 -6.162 -5.271 446 HD21 LEU 61 1HD2 LEU 61 -4.775 -5.177 -1.709 447 HD22 LEU 61 2HD2 LEU 61 -5.306 -4.658 -3.308 448 HD23 LEU 61 3HD2 LEU 61 -3.588 -4.670 -2.910 449 H ASN 62 H ASN 62 -4.016 -10.123 -3.162 450 HA ASN 62 HA ASN 62 -5.247 -10.595 -0.551 451 HB2 ASN 62 1HB ASN 62 -4.537 -13.067 -0.844 452 HB3 ASN 62 2HB ASN 62 -6.023 -12.528 -1.619 453 HD21 ASN 62 1HD2 ASN 62 -6.267 -13.192 -3.614 454 HD22 ASN 62 2HD2 ASN 62 -5.003 -13.553 -4.735 455 H GLU 63 H GLU 63 -3.685 -11.831 0.902 456 HA GLU 63 HA GLU 63 -1.321 -10.394 1.180 457 HB2 GLU 63 1HB GLU 63 -1.760 -13.194 2.218 458 HB3 GLU 63 2HB GLU 63 -0.715 -11.953 2.896 459 HG2 GLU 63 1HG GLU 63 -2.484 -11.799 4.313 460 HG3 GLU 63 2HG GLU 63 -2.969 -10.621 3.094 461 H GLY 64 H GLY 64 0.849 -10.862 0.773 462 HA2 GLY 64 1HA GLY 64 2.590 -12.298 -0.050 463 HA3 GLY 64 2HA GLY 64 1.384 -13.141 -1.012 464 H ASP 65 H ASP 65 0.098 -10.987 -2.209 465 HA ASP 65 HA ASP 65 1.615 -10.530 -4.465 466 HB2 ASP 65 1HB ASP 65 -0.646 -8.913 -3.287 467 HB3 ASP 65 2HB ASP 65 0.042 -8.586 -4.876 468 H GLN 66 H GLN 66 3.712 -9.894 -4.009 469 HA GLN 66 HA GLN 66 4.391 -7.712 -2.345 470 HB2 GLN 66 1HB GLN 66 6.048 -9.378 -2.823 471 HB3 GLN 66 2HB GLN 66 5.905 -9.105 -4.554 472 HG2 GLN 66 1HG GLN 66 6.732 -6.761 -4.129 473 HG3 GLN 66 2HG GLN 66 7.114 -7.290 -2.492 474 HE21 GLN 66 1HE2 GLN 66 8.862 -6.365 -4.655 475 HE22 GLN 66 2HE2 GLN 66 10.011 -7.631 -4.906 476 H VAL 67 H VAL 67 4.420 -5.586 -2.706 477 HA VAL 67 HA VAL 67 3.467 -4.587 -5.254 478 HB VAL 67 HB VAL 67 4.270 -2.945 -2.855 479 HG11 VAL 67 1HG1 VAL 67 3.073 -2.396 -5.452 480 HG12 VAL 67 2HG1 VAL 67 2.129 -1.753 -4.107 481 HG13 VAL 67 3HG1 VAL 67 3.823 -1.297 -4.295 482 HG21 VAL 67 1HG2 VAL 67 1.566 -4.142 -3.455 483 HG22 VAL 67 2HG2 VAL 67 2.656 -4.661 -2.169 484 HG23 VAL 67 3HG2 VAL 67 1.948 -3.046 -2.127 485 H VAL 68 H VAL 68 4.923 -4.416 -6.837 486 HA VAL 68 HA VAL 68 7.691 -3.769 -6.271 487 HB VAL 68 HB VAL 68 6.333 -4.204 -8.934 488 HG11 VAL 68 1HG1 VAL 68 8.242 -3.234 -9.644 489 HG12 VAL 68 2HG1 VAL 68 9.092 -3.549 -8.129 490 HG13 VAL 68 3HG1 VAL 68 8.923 -4.830 -9.330 491 HG21 VAL 68 1HG2 VAL 68 7.346 -6.049 -6.888 492 HG22 VAL 68 2HG2 VAL 68 6.181 -6.319 -8.183 493 HG23 VAL 68 3HG2 VAL 68 7.909 -6.377 -8.527 494 H LEU 69 H LEU 69 4.908 -2.280 -7.861 495 HA LEU 69 HA LEU 69 6.063 0.340 -7.451 496 HB2 LEU 69 1HB LEU 69 5.390 -0.646 -10.219 497 HB3 LEU 69 2HB LEU 69 5.790 1.019 -9.800 498 HG LEU 69 HG LEU 69 7.689 -1.292 -9.431 499 HD11 LEU 69 1HD1 LEU 69 7.134 0.439 -11.794 500 HD12 LEU 69 2HD1 LEU 69 7.512 -1.282 -11.721 501 HD13 LEU 69 3HD1 LEU 69 8.786 -0.088 -11.471 502 HD21 LEU 69 1HD2 LEU 69 9.363 0.511 -9.329 503 HD22 LEU 69 2HD2 LEU 69 8.172 0.624 -8.033 504 HD23 LEU 69 3HD2 LEU 69 8.064 1.701 -9.426 505 H ILE 70 H ILE 70 4.534 1.884 -7.167 506 HA ILE 70 HA ILE 70 1.738 1.019 -7.432 507 HB ILE 70 HB ILE 70 2.903 3.235 -5.743 508 HG12 ILE 70 1HG1 ILE 70 1.690 0.609 -4.866 509 HG13 ILE 70 2HG1 ILE 70 3.422 0.874 -5.034 510 HG21 ILE 70 1HG2 ILE 70 0.278 2.874 -6.686 511 HG22 ILE 70 2HG2 ILE 70 0.269 2.419 -4.983 512 HG23 ILE 70 3HG2 ILE 70 0.844 4.015 -5.466 513 HD11 ILE 70 1HD1 ILE 70 1.528 2.141 -3.087 514 HD12 ILE 70 2HD1 ILE 70 2.947 1.146 -2.756 515 HD13 ILE 70 3HD1 ILE 70 3.143 2.779 -3.393 516 H ASN 71 H ASN 71 0.674 1.782 -9.126 517 HA ASN 71 HA ASN 71 -0.090 3.159 -10.767 518 HB2 ASN 71 1HB ASN 71 1.142 5.458 -9.250 519 HB3 ASN 71 2HB ASN 71 -0.251 5.491 -10.327 520 HD21 ASN 71 1HD2 ASN 71 -0.024 6.387 -7.577 521 HD22 ASN 71 2HD2 ASN 71 -1.208 5.504 -6.680 522 H GLY 72 H GLY 72 2.619 2.021 -10.868 523 HA2 GLY 72 1HA GLY 72 4.329 2.033 -12.410 524 HA3 GLY 72 2HA GLY 72 3.523 3.375 -13.208 525 H ARG 73 H ARG 73 4.460 3.471 -9.841 526 HA ARG 73 HA ARG 73 6.678 5.277 -10.530 527 HB2 ARG 73 1HB ARG 73 4.344 5.756 -8.736 528 HB3 ARG 73 2HB ARG 73 5.901 6.424 -8.265 529 HG2 ARG 73 1HG ARG 73 5.947 7.375 -10.672 530 HG3 ARG 73 2HG ARG 73 4.209 7.071 -10.639 531 HD2 ARG 73 1HD ARG 73 4.387 8.325 -8.324 532 HD3 ARG 73 2HD ARG 73 5.837 9.003 -9.065 533 HE ARG 73 HE ARG 73 4.511 10.206 -10.512 534 HH11 ARG 73 2HH1 ARG 73 2.580 7.868 -8.800 535 HH12 ARG 73 1HH1 ARG 73 1.071 8.529 -9.336 536 HH21 ARG 73 2HH2 ARG 73 2.530 11.084 -11.225 537 HH22 ARG 73 1HH2 ARG 73 1.044 10.358 -10.716 538 H ASP 74 H ASP 74 8.396 5.360 -9.031 539 HA ASP 74 HA ASP 74 8.845 2.880 -7.653 540 HB2 ASP 74 1HB ASP 74 11.070 3.706 -7.244 541 HB3 ASP 74 2HB ASP 74 10.627 4.118 -8.899 542 H ILE 75 H ILE 75 8.490 2.442 -5.579 543 HA ILE 75 HA ILE 75 8.191 4.682 -3.693 544 HB ILE 75 HB ILE 75 6.451 3.218 -2.523 545 HG12 ILE 75 1HG1 ILE 75 5.171 1.864 -4.378 546 HG13 ILE 75 2HG1 ILE 75 6.751 1.811 -5.152 547 HG21 ILE 75 1HG2 ILE 75 6.127 4.834 -4.980 548 HG22 ILE 75 2HG2 ILE 75 4.726 3.910 -4.439 549 HG23 ILE 75 3HG2 ILE 75 5.476 5.086 -3.360 550 HD11 ILE 75 1HD1 ILE 75 5.956 -0.090 -3.533 551 HD12 ILE 75 2HD1 ILE 75 7.637 0.446 -3.555 552 HD13 ILE 75 3HD1 ILE 75 6.544 1.021 -2.296 553 H ALA 76 H ALA 76 9.800 1.892 -4.477 554 HA ALA 76 HA ALA 76 10.115 0.492 -2.105 555 HB1 ALA 76 1HB ALA 76 11.555 0.728 -4.622 556 HB2 ALA 76 2HB ALA 76 12.613 0.367 -3.257 557 HB3 ALA 76 3HB ALA 76 11.249 -0.691 -3.620 558 H GLU 77 H GLU 77 11.885 3.338 -3.269 559 HA GLU 77 HA GLU 77 13.747 3.494 -1.181 560 HB2 GLU 77 1HB GLU 77 14.080 4.784 -3.180 561 HB3 GLU 77 2HB GLU 77 12.563 5.640 -2.943 562 HG2 GLU 77 1HG GLU 77 14.063 7.204 -2.225 563 HG3 GLU 77 2HG GLU 77 13.672 6.397 -0.707 564 H HIS 78 H HIS 78 10.403 4.428 -1.365 565 HA HIS 78 HA HIS 78 10.399 6.158 0.898 566 HB2 HIS 78 1HB HIS 78 8.150 4.659 -0.460 567 HB3 HIS 78 2HB HIS 78 7.922 5.868 0.800 568 HD1 HIS 78 1HD HIS 78 10.159 6.024 -2.271 569 HD2 HIS 78 2HD HIS 78 6.929 7.995 -0.555 570 HE1 HIS 78 1HE HIS 78 9.734 8.022 -3.738 571 HE2 HIS 78 2HE HIS 78 7.830 9.246 -2.632 572 H THR 79 H THR 79 9.514 5.751 2.978 573 HA THR 79 HA THR 79 10.049 3.035 3.908 574 HB THR 79 HB THR 79 9.965 3.989 6.173 575 HG1 THR 79 1HG THR 79 9.001 6.195 4.753 576 HG21 THR 79 1HG2 THR 79 11.678 5.722 4.396 577 HG22 THR 79 2HG2 THR 79 12.059 4.044 4.780 578 HG23 THR 79 3HG2 THR 79 11.990 5.248 6.065 579 H HIS 80 H HIS 80 8.596 2.195 5.680 580 HA HIS 80 HA HIS 80 6.111 1.566 4.801 581 HB2 HIS 80 1HB HIS 80 7.141 0.504 6.749 582 HB3 HIS 80 2HB HIS 80 6.914 1.976 7.689 583 HD1 HIS 80 1HD HIS 80 5.358 -1.190 7.000 584 HD2 HIS 80 2HD HIS 80 4.017 2.625 7.955 585 HE1 HIS 80 1HE HIS 80 3.001 -1.492 7.822 586 HE2 HIS 80 2HE HIS 80 2.181 0.838 8.313 587 H ASP 81 H ASP 81 6.781 4.198 7.112 588 HA ASP 81 HA ASP 81 4.218 5.199 7.359 589 HB2 ASP 81 1HB ASP 81 6.873 6.640 7.409 590 HB3 ASP 81 2HB ASP 81 5.348 7.405 7.849 591 H GLN 82 H GLN 82 6.715 6.250 5.044 592 HA GLN 82 HA GLN 82 5.165 8.133 3.688 593 HB2 GLN 82 1HB GLN 82 7.484 6.439 2.765 594 HB3 GLN 82 2HB GLN 82 6.768 7.702 1.773 595 HG2 GLN 82 1HG GLN 82 7.489 9.398 3.194 596 HG3 GLN 82 2HG GLN 82 7.767 8.285 4.532 597 HE21 GLN 82 1HE2 GLN 82 8.902 9.139 1.302 598 HE22 GLN 82 2HE2 GLN 82 10.547 8.683 1.564 599 H VAL 83 H VAL 83 6.036 4.918 2.410 600 HA VAL 83 HA VAL 83 4.454 4.691 0.268 601 HB VAL 83 HB VAL 83 4.977 2.624 2.390 602 HG11 VAL 83 1HG1 VAL 83 2.859 2.021 1.383 603 HG12 VAL 83 2HG1 VAL 83 3.540 2.222 -0.232 604 HG13 VAL 83 3HG1 VAL 83 4.124 0.930 0.817 605 HG21 VAL 83 1HG2 VAL 83 6.010 3.030 -0.415 606 HG22 VAL 83 2HG2 VAL 83 6.892 3.326 1.083 607 HG23 VAL 83 3HG2 VAL 83 6.437 1.681 0.638 608 H VAL 84 H VAL 84 3.317 4.179 3.596 609 HA VAL 84 HA VAL 84 0.678 3.496 3.023 610 HB VAL 84 HB VAL 84 1.730 5.019 5.411 611 HG11 VAL 84 1HG1 VAL 84 -0.895 4.716 4.701 612 HG12 VAL 84 2HG1 VAL 84 -0.629 3.330 5.760 613 HG13 VAL 84 3HG1 VAL 84 -0.305 4.963 6.344 614 HG21 VAL 84 1HG2 VAL 84 2.368 3.062 6.330 615 HG22 VAL 84 2HG2 VAL 84 1.021 2.168 5.625 616 HG23 VAL 84 3HG2 VAL 84 2.447 2.527 4.651 617 H LEU 85 H LEU 85 2.116 6.694 3.585 618 HA LEU 85 HA LEU 85 -0.322 8.123 3.287 619 HB2 LEU 85 1HB LEU 85 2.570 8.837 3.366 620 HB3 LEU 85 2HB LEU 85 1.413 10.037 2.792 621 HG LEU 85 HG LEU 85 1.083 8.691 5.456 622 HD11 LEU 85 1HD1 LEU 85 2.172 11.328 5.683 623 HD12 LEU 85 2HD1 LEU 85 3.262 10.312 4.742 624 HD13 LEU 85 3HD1 LEU 85 2.767 9.812 6.359 625 HD21 LEU 85 1HD2 LEU 85 -0.006 10.979 5.871 626 HD22 LEU 85 2HD2 LEU 85 -0.869 9.819 4.861 627 HD23 LEU 85 3HD2 LEU 85 0.015 11.152 4.116 628 H PHE 86 H PHE 86 2.053 6.908 1.068 629 HA PHE 86 HA PHE 86 1.618 8.543 -1.142 630 HB2 PHE 86 1HB PHE 86 3.377 6.723 -0.854 631 HB3 PHE 86 2HB PHE 86 2.125 5.575 -1.317 632 HD1 PHE 86 1HD PHE 86 3.466 8.839 -2.541 633 HD2 PHE 86 2HD PHE 86 2.140 4.911 -3.504 634 HE1 PHE 86 1HE PHE 86 3.969 9.255 -4.913 635 HE2 PHE 86 2HE PHE 86 2.641 5.320 -5.877 636 HZ PHE 86 HZ PHE 86 3.558 7.494 -6.585 637 H ILE 87 H ILE 87 0.115 5.377 -0.473 638 HA ILE 87 HA ILE 87 -1.745 5.525 -2.586 639 HB ILE 87 HB ILE 87 -1.987 3.945 -0.023 640 HG12 ILE 87 1HG1 ILE 87 -1.180 2.121 -1.787 641 HG13 ILE 87 2HG1 ILE 87 -0.440 3.530 -2.539 642 HG21 ILE 87 1HG2 ILE 87 -3.845 4.329 -2.049 643 HG22 ILE 87 2HG2 ILE 87 -3.117 2.764 -2.409 644 HG23 ILE 87 3HG2 ILE 87 -3.857 3.051 -0.834 645 HD11 ILE 87 1HD1 ILE 87 0.644 1.988 -0.541 646 HD12 ILE 87 2HD1 ILE 87 1.183 3.596 -1.026 647 HD13 ILE 87 3HD1 ILE 87 0.053 3.411 0.315 648 H LYS 88 H LYS 88 -2.107 6.165 0.896 649 HA LYS 88 HA LYS 88 -4.767 6.764 1.052 650 HB2 LYS 88 1HB LYS 88 -2.866 6.852 2.847 651 HB3 LYS 88 2HB LYS 88 -2.799 8.558 2.427 652 HG2 LYS 88 1HG LYS 88 -5.368 8.479 2.839 653 HG3 LYS 88 2HG LYS 88 -4.983 7.017 3.750 654 HD2 LYS 88 1HD LYS 88 -3.399 9.494 4.251 655 HD3 LYS 88 2HD LYS 88 -5.025 9.366 4.926 656 HE2 LYS 88 1HE LYS 88 -4.354 7.189 5.940 657 HE3 LYS 88 2HE LYS 88 -2.709 7.489 5.381 658 HZ1 LYS 88 1HZ LYS 88 -3.201 9.755 6.671 659 HZ2 LYS 88 2HZ LYS 88 -2.515 8.399 7.414 660 HZ3 LYS 88 3HZ LYS 88 -4.171 8.705 7.577 661 H ALA 89 H ALA 89 -2.166 8.927 -0.006 662 HA ALA 89 HA ALA 89 -3.562 11.287 -0.289 663 HB1 ALA 89 1HB ALA 89 -1.867 11.204 -2.502 664 HB2 ALA 89 2HB ALA 89 -1.506 11.860 -0.905 665 HB3 ALA 89 3HB ALA 89 -1.092 10.189 -1.286 666 H SER 90 H SER 90 -3.626 8.439 -2.315 667 HA SER 90 HA SER 90 -4.577 9.220 -4.703 668 HB2 SER 90 1HB SER 90 -4.388 6.882 -4.259 669 HB3 SER 90 2HB SER 90 -5.585 6.963 -2.966 670 HG SER 90 HG SER 90 -6.299 6.145 -5.096 671 H CYS 91 H CYS 91 -6.333 9.362 -1.672 672 HA CYS 91 HA CYS 91 -8.914 9.800 -2.574 673 HB2 CYS 91 1HB CYS 91 -7.930 9.613 -0.152 674 HB3 CYS 91 2HB CYS 91 -7.851 11.368 -0.252 675 HG CYS 91 HG CYS 91 -10.149 10.601 1.176 676 H GLU 92 H GLU 92 -6.433 12.255 -1.850 677 HA GLU 92 HA GLU 92 -8.040 14.254 -3.255 678 HB2 GLU 92 1HB GLU 92 -6.874 14.568 -0.935 679 HB3 GLU 92 2HB GLU 92 -5.434 14.851 -1.903 680 HG2 GLU 92 1HG GLU 92 -6.734 16.617 -3.128 681 HG3 GLU 92 2HG GLU 92 -7.993 16.424 -1.910 682 H ARG 93 H ARG 93 -7.450 12.880 -5.236 683 HA ARG 93 HA ARG 93 -5.135 14.144 -6.506 684 HB2 ARG 93 1HB ARG 93 -5.670 11.187 -6.340 685 HB3 ARG 93 2HB ARG 93 -4.705 11.876 -7.639 686 HG2 ARG 93 1HG ARG 93 -4.081 12.295 -4.729 687 HG3 ARG 93 2HG ARG 93 -3.421 10.966 -5.684 688 HD2 ARG 93 1HD ARG 93 -3.135 13.867 -6.441 689 HD3 ARG 93 2HD ARG 93 -1.942 12.989 -5.484 690 HE ARG 93 HE ARG 93 -1.320 11.798 -7.378 691 HH11 ARG 93 2HH1 ARG 93 -4.054 13.851 -8.035 692 HH12 ARG 93 1HH1 ARG 93 -3.930 13.688 -9.755 693 HH21 ARG 93 2HH2 ARG 93 -1.145 11.575 -9.641 694 HH22 ARG 93 1HH2 ARG 93 -2.275 12.392 -10.668 695 H HIS 94 H HIS 94 -5.502 14.786 -8.554 696 HA HIS 94 HA HIS 94 -7.935 15.203 -9.629 697 HB2 HIS 94 1HB HIS 94 -5.623 15.902 -10.520 698 HB3 HIS 94 2HB HIS 94 -5.659 14.393 -11.427 699 HD1 HIS 94 1HD HIS 94 -6.231 14.929 -13.765 700 HD2 HIS 94 2HD HIS 94 -8.444 17.201 -11.080 701 HE1 HIS 94 1HE HIS 94 -7.795 16.302 -15.176 702 HE2 HIS 94 2HE HIS 94 -9.064 17.731 -13.535 703 H SER 95 H SER 95 -5.952 12.319 -10.270 704 HA SER 95 HA SER 95 -7.960 11.053 -11.857 705 HB2 SER 95 1HB SER 95 -5.592 9.759 -10.490 706 HB3 SER 95 2HB SER 95 -6.493 9.133 -11.870 707 HG SER 95 HG SER 95 -4.785 10.096 -12.788 708 H GLY 96 H GLY 96 -8.595 8.697 -11.202 709 HA2 GLY 96 1HA GLY 96 -9.457 8.711 -8.377 710 HA3 GLY 96 2HA GLY 96 -10.574 8.313 -9.674 711 H GLU 97 H GLU 97 -9.676 6.508 -11.173 712 HA GLU 97 HA GLU 97 -9.464 4.168 -9.634 713 HB2 GLU 97 1HB GLU 97 -10.407 4.060 -11.839 714 HB3 GLU 97 2HB GLU 97 -8.930 4.681 -12.561 715 HG2 GLU 97 1HG GLU 97 -7.787 2.603 -11.686 716 HG3 GLU 97 2HG GLU 97 -9.399 1.984 -11.332 717 H LEU 98 H LEU 98 -7.782 3.369 -8.581 718 HA LEU 98 HA LEU 98 -5.089 4.268 -9.297 719 HB2 LEU 98 1HB LEU 98 -5.494 4.620 -7.022 720 HB3 LEU 98 2HB LEU 98 -6.293 3.061 -6.833 721 HG LEU 98 HG LEU 98 -3.357 3.264 -7.433 722 HD11 LEU 98 1HD1 LEU 98 -4.760 3.915 -4.951 723 HD12 LEU 98 2HD1 LEU 98 -3.109 4.278 -5.454 724 HD13 LEU 98 3HD1 LEU 98 -3.495 2.699 -4.769 725 HD21 LEU 98 1HD2 LEU 98 -4.196 1.102 -5.750 726 HD22 LEU 98 2HD2 LEU 98 -3.428 1.048 -7.337 727 HD23 LEU 98 3HD2 LEU 98 -5.185 1.144 -7.210 728 H MET 99 H MET 99 -3.338 2.757 -9.422 729 HA MET 99 HA MET 99 -4.160 -0.006 -10.015 730 HB2 MET 99 1HB MET 99 -2.262 1.719 -11.612 731 HB3 MET 99 2HB MET 99 -2.457 -0.013 -11.848 732 HG2 MET 99 1HG MET 99 -4.518 0.206 -12.806 733 HG3 MET 99 2HG MET 99 -4.871 1.713 -11.964 734 HE1 MET 99 1HE MET 99 -3.521 1.201 -16.158 735 HE2 MET 99 2HE MET 99 -3.748 -0.068 -14.954 736 HE3 MET 99 3HE MET 99 -5.105 0.958 -15.421 737 H LEU 100 H LEU 100 -2.623 -1.621 -9.583 738 HA LEU 100 HA LEU 100 -0.222 -0.764 -8.122 739 HB2 LEU 100 1HB LEU 100 -1.975 -3.049 -7.248 740 HB3 LEU 100 2HB LEU 100 -0.587 -2.372 -6.399 741 HG LEU 100 HG LEU 100 -3.162 -0.877 -6.868 742 HD11 LEU 100 1HD1 LEU 100 -3.906 -1.488 -4.750 743 HD12 LEU 100 2HD1 LEU 100 -2.320 -2.082 -4.258 744 HD13 LEU 100 3HD1 LEU 100 -3.282 -2.996 -5.420 745 HD21 LEU 100 1HD2 LEU 100 -1.399 0.650 -6.503 746 HD22 LEU 100 2HD2 LEU 100 -0.693 -0.350 -5.233 747 HD23 LEU 100 3HD2 LEU 100 -2.222 0.483 -4.952 748 H LEU 101 H LEU 101 1.534 -1.625 -8.991 749 HA LEU 101 HA LEU 101 1.289 -3.936 -10.748 750 HB2 LEU 101 1HB LEU 101 2.576 -1.773 -11.273 751 HB3 LEU 101 2HB LEU 101 3.812 -2.412 -10.191 752 HG LEU 101 HG LEU 101 3.925 -4.434 -11.685 753 HD11 LEU 101 1HD1 LEU 101 1.672 -3.986 -12.722 754 HD12 LEU 101 2HD1 LEU 101 2.970 -4.381 -13.848 755 HD13 LEU 101 3HD1 LEU 101 2.449 -2.707 -13.656 756 HD21 LEU 101 1HD2 LEU 101 4.592 -2.130 -13.407 757 HD22 LEU 101 2HD2 LEU 101 5.596 -3.477 -12.870 758 HD23 LEU 101 3HD2 LEU 101 5.281 -2.123 -11.783 759 H VAL 102 H VAL 102 1.184 -5.766 -9.552 760 HA VAL 102 HA VAL 102 3.239 -6.191 -7.490 761 HB VAL 102 HB VAL 102 1.851 -7.901 -6.554 762 HG11 VAL 102 1HG1 VAL 102 1.188 -5.828 -5.717 763 HG12 VAL 102 2HG1 VAL 102 0.427 -5.352 -7.237 764 HG13 VAL 102 3HG1 VAL 102 -0.326 -6.579 -6.219 765 HG21 VAL 102 1HG2 VAL 102 -0.401 -8.386 -7.578 766 HG22 VAL 102 2HG2 VAL 102 0.159 -7.537 -9.018 767 HG23 VAL 102 3HG2 VAL 102 0.989 -8.995 -8.476 768 H ARG 103 H ARG 103 3.867 -8.592 -7.285 769 HA ARG 103 HA ARG 103 4.561 -9.559 -9.976 770 HB2 ARG 103 1HB ARG 103 6.309 -8.895 -8.095 771 HB3 ARG 103 2HB ARG 103 5.979 -10.530 -7.537 772 HG2 ARG 103 1HG ARG 103 6.674 -10.056 -10.400 773 HG3 ARG 103 2HG ARG 103 7.943 -10.082 -9.174 774 HD2 ARG 103 1HD ARG 103 7.584 -12.307 -8.662 775 HD3 ARG 103 2HD ARG 103 5.929 -12.285 -9.270 776 HE ARG 103 HE ARG 103 7.526 -11.838 -11.462 777 HH11 ARG 103 2HH1 ARG 103 7.187 -14.338 -9.063 778 HH12 ARG 103 1HH1 ARG 103 7.699 -15.608 -10.125 779 HH21 ARG 103 2HH2 ARG 103 8.200 -13.501 -12.870 780 HH22 ARG 103 1HH2 ARG 103 8.275 -15.131 -12.290 781 HA PRO 104 HA PRO 104 2.005 -13.091 -9.295 782 HB2 PRO 104 1HB PRO 104 3.051 -14.696 -11.219 783 HB3 PRO 104 2HB PRO 104 1.996 -13.325 -11.580 784 HG2 PRO 104 1HG PRO 104 4.981 -13.502 -11.706 785 HG3 PRO 104 2HG PRO 104 3.856 -12.751 -12.853 786 HD2 PRO 104 1HD PRO 104 5.261 -11.315 -11.038 787 HD3 PRO 104 2HD PRO 104 3.639 -10.840 -11.583 788 H ASN 105 H ASN 105 2.074 -14.954 -8.130 789 HA ASN 105 HA ASN 105 4.627 -15.685 -6.956 790 HB2 ASN 105 1HB ASN 105 2.670 -15.424 -5.497 791 HB3 ASN 105 2HB ASN 105 1.833 -16.697 -6.381 792 HD21 ASN 105 1HD2 ASN 105 1.614 -17.854 -4.434 793 HD22 ASN 105 2HD2 ASN 105 2.941 -18.735 -3.764 794 H ALA 106 H ALA 106 1.939 -17.437 -8.516 795 HA ALA 106 HA ALA 106 3.801 -19.094 -9.973 796 HB1 ALA 106 1HB ALA 106 3.846 -20.833 -8.599 797 HB2 ALA 106 2HB ALA 106 2.779 -19.997 -7.470 798 HB3 ALA 106 3HB ALA 106 2.097 -20.989 -8.758 799 H VAL 107 H VAL 107 2.730 -20.498 -11.527 800 HA VAL 107 HA VAL 107 0.271 -19.281 -12.497 801 HB VAL 107 HB VAL 107 2.043 -21.376 -13.762 802 HG11 VAL 107 1HG1 VAL 107 0.579 -21.585 -15.435 803 HG12 VAL 107 2HG1 VAL 107 -0.594 -20.842 -14.345 804 HG13 VAL 107 3HG1 VAL 107 0.286 -19.848 -15.507 805 HG21 VAL 107 1HG2 VAL 107 3.388 -19.614 -14.090 806 HG22 VAL 107 2HG2 VAL 107 2.204 -19.121 -15.300 807 HG23 VAL 107 3HG2 VAL 107 2.128 -18.454 -13.669 808 H TYR 108 H TYR 108 -1.671 -20.120 -12.155 809 HA TYR 108 HA TYR 108 -1.997 -23.008 -11.923 810 HB2 TYR 108 1HB TYR 108 -2.482 -21.048 -9.732 811 HB3 TYR 108 2HB TYR 108 -3.625 -22.374 -9.915 812 HD1 TYR 108 1HD TYR 108 -2.814 -24.728 -9.728 813 HD2 TYR 108 2HD TYR 108 -0.322 -21.404 -8.811 814 HE1 TYR 108 1HE TYR 108 -1.290 -26.217 -8.500 815 HE2 TYR 108 2HE TYR 108 1.209 -22.884 -7.581 816 HH TYR 108 HH TYR 108 0.818 -26.367 -7.609 817 H ASP 109 H ASP 109 -4.179 -23.719 -12.218 818 HA ASP 109 HA ASP 109 -5.905 -21.697 -13.492 819 HB2 ASP 109 1HB ASP 109 -5.149 -23.082 -15.252 820 HB3 ASP 109 2HB ASP 109 -5.331 -24.545 -14.288 821 H VAL 110 H VAL 110 -7.765 -21.381 -12.480 822 HA VAL 110 HA VAL 110 -8.838 -23.549 -10.796 823 HB VAL 110 HB VAL 110 -9.212 -20.567 -10.483 824 HG11 VAL 110 1HG1 VAL 110 -10.068 -22.613 -8.479 825 HG12 VAL 110 2HG1 VAL 110 -10.630 -20.955 -8.697 826 HG13 VAL 110 3HG1 VAL 110 -11.118 -22.210 -9.837 827 HG21 VAL 110 1HG2 VAL 110 -7.302 -20.632 -9.348 828 HG22 VAL 110 2HG2 VAL 110 -8.088 -21.692 -8.178 829 HG23 VAL 110 3HG2 VAL 110 -7.195 -22.383 -9.532 830 H VAL 111 H VAL 111 -10.052 -24.488 -12.471 831 HA VAL 111 HA VAL 111 -12.104 -22.851 -13.752 832 HB VAL 111 HB VAL 111 -11.362 -25.747 -14.192 833 HG11 VAL 111 1HG1 VAL 111 -12.875 -24.406 -16.284 834 HG12 VAL 111 2HG1 VAL 111 -13.128 -25.985 -15.537 835 HG13 VAL 111 3HG1 VAL 111 -13.767 -24.532 -14.768 836 HG21 VAL 111 1HG2 VAL 111 -9.772 -23.802 -14.872 837 HG22 VAL 111 2HG2 VAL 111 -10.114 -25.092 -16.025 838 HG23 VAL 111 3HG2 VAL 111 -10.942 -23.541 -16.166 839 H GLU 112 H GLU 112 -13.690 -22.480 -12.272 840 HA GLU 112 HA GLU 112 -14.893 -24.826 -10.961 841 HB2 GLU 112 1HB GLU 112 -14.068 -23.091 -9.423 842 HB3 GLU 112 2HB GLU 112 -15.099 -21.904 -10.211 843 HG2 GLU 112 1HG GLU 112 -16.026 -22.727 -8.090 844 HG3 GLU 112 2HG GLU 112 -17.076 -23.050 -9.469 845 H GLU 113 H GLU 113 -17.185 -25.001 -10.886 846 HA GLU 113 HA GLU 113 -18.629 -23.371 -12.861 847 HB2 GLU 113 1HB GLU 113 -19.897 -25.641 -13.291 848 HB3 GLU 113 2HB GLU 113 -18.411 -25.259 -14.150 849 HG2 GLU 113 1HG GLU 113 -18.203 -26.732 -11.582 850 HG3 GLU 113 2HG GLU 113 -18.796 -27.597 -12.998 851 H SER 114 H SER 114 -19.585 -22.200 -11.178 852 HA SER 114 HA SER 114 -21.644 -23.693 -9.700 853 HB2 SER 114 1HB SER 114 -19.894 -21.471 -8.622 854 HB3 SER 114 2HB SER 114 -21.298 -22.131 -7.783 855 HG SER 114 HG SER 114 -19.289 -23.876 -8.668 856 H GLY 115 H GLY 115 -23.400 -22.220 -8.871 857 HA2 GLY 115 1HA GLY 115 -23.770 -19.673 -10.116 858 HA3 GLY 115 2HA GLY 115 -24.697 -20.928 -10.925 859 HA PRO 116 HA PRO 116 -26.551 -19.454 -6.695 860 HB2 PRO 116 1HB PRO 116 -27.678 -17.059 -7.300 861 HB3 PRO 116 2HB PRO 116 -26.047 -17.213 -6.635 862 HG2 PRO 116 1HG PRO 116 -26.905 -16.810 -9.475 863 HG3 PRO 116 2HG PRO 116 -25.580 -16.036 -8.585 864 HD2 PRO 116 1HD PRO 116 -25.177 -18.087 -10.306 865 HD3 PRO 116 2HD PRO 116 -24.172 -17.839 -8.864 866 H SER 117 H SER 117 -28.924 -18.988 -6.320 867 HA SER 117 HA SER 117 -30.665 -19.437 -8.598 868 HB2 SER 117 1HB SER 117 -30.298 -21.463 -6.393 869 HB3 SER 117 2HB SER 117 -31.770 -21.391 -7.361 870 HG SER 117 HG SER 117 -30.707 -22.544 -8.746 871 H SER 118 H SER 118 -32.781 -18.812 -8.240 872 HA SER 118 HA SER 118 -33.414 -17.771 -5.562 873 HB2 SER 118 1HB SER 118 -34.058 -16.359 -8.161 874 HB3 SER 118 2HB SER 118 -34.402 -15.776 -6.532 875 HG SER 118 HG SER 118 -31.915 -16.158 -6.392 876 H GLY 119 H GLY 119 -35.504 -18.024 -4.880 877 HA2 GLY 119 1HA GLY 119 -37.136 -19.837 -6.489 878 HA3 GLY 119 2HA GLY 119 -37.365 -19.467 -4.786 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.636 16.920 -42.551 2 HA2 GLY 1 1HA GLY 1 -9.396 17.122 -41.668 3 HA3 GLY 1 2HA GLY 1 -8.610 15.693 -42.324 4 H SER 2 H SER 2 -7.960 14.140 -40.960 5 HA SER 2 HA SER 2 -7.459 14.745 -38.164 6 HB2 SER 2 1HB SER 2 -9.825 13.184 -39.129 7 HB3 SER 2 2HB SER 2 -9.048 12.715 -37.617 8 HG SER 2 HG SER 2 -9.912 14.386 -36.691 9 H SER 3 H SER 3 -6.301 13.124 -37.073 10 HA SER 3 HA SER 3 -4.563 11.599 -38.709 11 HB2 SER 3 1HB SER 3 -4.023 12.559 -36.428 12 HB3 SER 3 2HB SER 3 -4.975 11.246 -35.735 13 HG SER 3 HG SER 3 -2.474 11.195 -36.921 14 H GLY 4 H GLY 4 -4.385 9.375 -38.992 15 HA2 GLY 4 1HA GLY 4 -5.985 7.425 -37.773 16 HA3 GLY 4 2HA GLY 4 -6.799 7.946 -39.241 17 H SER 5 H SER 5 -3.828 6.534 -37.972 18 HA SER 5 HA SER 5 -3.543 5.042 -40.471 19 HB2 SER 5 1HB SER 5 -1.207 6.478 -39.191 20 HB3 SER 5 2HB SER 5 -1.191 5.548 -40.689 21 HG SER 5 HG SER 5 -2.980 7.234 -41.205 22 H SER 6 H SER 6 -2.703 3.009 -40.231 23 HA SER 6 HA SER 6 -2.259 2.139 -37.458 24 HB2 SER 6 1HB SER 6 -2.865 -0.110 -38.233 25 HB3 SER 6 2HB SER 6 -4.135 1.048 -38.628 26 HG SER 6 HG SER 6 -3.804 0.692 -40.673 27 H GLY 7 H GLY 7 -0.233 1.758 -36.877 28 HA2 GLY 7 1HA GLY 7 1.554 0.286 -38.604 29 HA3 GLY 7 2HA GLY 7 2.032 1.958 -38.350 30 H ASN 8 H ASN 8 1.191 -1.017 -36.608 31 HA ASN 8 HA ASN 8 3.297 -0.390 -34.673 32 HB2 ASN 8 1HB ASN 8 0.820 0.196 -33.933 33 HB3 ASN 8 2HB ASN 8 0.750 -1.534 -33.612 34 HD21 ASN 8 1HD2 ASN 8 1.003 -1.875 -31.533 35 HD22 ASN 8 2HD2 ASN 8 2.160 -1.104 -30.507 36 H GLY 9 H GLY 9 4.469 -2.126 -34.041 37 HA2 GLY 9 1HA GLY 9 3.414 -4.810 -34.598 38 HA3 GLY 9 2HA GLY 9 4.950 -4.342 -35.311 39 H GLY 10 H GLY 10 3.350 -5.499 -32.513 40 HA2 GLY 10 1HA GLY 10 5.161 -6.783 -31.171 41 HA3 GLY 10 2HA GLY 10 5.768 -5.160 -30.876 42 H ILE 11 H ILE 11 4.388 -7.444 -29.261 43 HA ILE 11 HA ILE 11 2.483 -5.672 -27.875 44 HB ILE 11 HB ILE 11 2.364 -8.684 -27.863 45 HG12 ILE 11 1HG1 ILE 11 1.978 -7.475 -30.135 46 HG13 ILE 11 2HG1 ILE 11 0.803 -8.670 -29.595 47 HG21 ILE 11 1HG2 ILE 11 0.354 -6.588 -27.049 48 HG22 ILE 11 2HG2 ILE 11 0.122 -8.334 -26.971 49 HG23 ILE 11 3HG2 ILE 11 1.334 -7.559 -25.950 50 HD11 ILE 11 1HD1 ILE 11 -0.630 -6.863 -28.770 51 HD12 ILE 11 2HD1 ILE 11 0.540 -5.683 -29.362 52 HD13 ILE 11 3HD1 ILE 11 -0.310 -6.729 -30.499 53 HA PRO 12 HA PRO 12 5.214 -6.027 -24.417 54 HB2 PRO 12 1HB PRO 12 3.531 -5.036 -22.531 55 HB3 PRO 12 2HB PRO 12 4.340 -4.017 -23.728 56 HG2 PRO 12 1HG PRO 12 1.543 -5.084 -23.730 57 HG3 PRO 12 2HG PRO 12 2.123 -3.464 -24.157 58 HD2 PRO 12 1HD PRO 12 1.508 -5.329 -26.020 59 HD3 PRO 12 2HD PRO 12 2.783 -4.119 -26.266 60 H HIS 13 H HIS 13 5.682 -7.645 -23.054 61 HA HIS 13 HA HIS 13 3.927 -9.861 -22.766 62 HB2 HIS 13 1HB HIS 13 6.564 -9.174 -21.466 63 HB3 HIS 13 2HB HIS 13 5.708 -10.682 -21.158 64 HD1 HIS 13 1HD HIS 13 6.403 -8.900 -24.450 65 HD2 HIS 13 2HD HIS 13 7.078 -12.540 -22.564 66 HE1 HIS 13 1HE HIS 13 7.529 -10.349 -26.170 67 HE2 HIS 13 2HE HIS 13 7.850 -12.574 -25.033 68 H ASP 14 H ASP 14 2.113 -9.625 -21.607 69 HA ASP 14 HA ASP 14 2.031 -8.011 -19.219 70 HB2 ASP 14 1HB ASP 14 -0.091 -9.855 -20.336 71 HB3 ASP 14 2HB ASP 14 -0.325 -8.588 -19.135 72 H ASN 15 H ASN 15 3.924 -9.939 -18.850 73 HA ASN 15 HA ASN 15 2.970 -12.299 -17.610 74 HB2 ASN 15 1HB ASN 15 5.231 -12.667 -16.918 75 HB3 ASN 15 2HB ASN 15 5.295 -11.936 -18.519 76 HD21 ASN 15 1HD2 ASN 15 7.084 -12.007 -16.038 77 HD22 ASN 15 2HD2 ASN 15 7.550 -10.356 -15.833 78 H LEU 16 H LEU 16 3.997 -9.156 -16.335 79 HA LEU 16 HA LEU 16 3.656 -9.857 -13.602 80 HB2 LEU 16 1HB LEU 16 3.978 -7.288 -15.097 81 HB3 LEU 16 2HB LEU 16 3.549 -7.268 -13.388 82 HG LEU 16 HG LEU 16 5.947 -8.811 -14.273 83 HD11 LEU 16 1HD1 LEU 16 6.793 -6.250 -13.455 84 HD12 LEU 16 2HD1 LEU 16 5.601 -6.017 -14.733 85 HD13 LEU 16 3HD1 LEU 16 7.019 -7.025 -15.024 86 HD21 LEU 16 1HD2 LEU 16 5.644 -9.148 -12.035 87 HD22 LEU 16 2HD2 LEU 16 4.891 -7.573 -11.784 88 HD23 LEU 16 3HD2 LEU 16 6.640 -7.693 -11.985 89 H VAL 17 H VAL 17 2.017 -9.186 -12.153 90 HA VAL 17 HA VAL 17 -0.620 -9.036 -13.408 91 HB VAL 17 HB VAL 17 0.127 -9.545 -10.525 92 HG11 VAL 17 1HG1 VAL 17 -2.158 -10.022 -10.110 93 HG12 VAL 17 2HG1 VAL 17 -2.114 -8.468 -10.945 94 HG13 VAL 17 3HG1 VAL 17 -2.559 -9.931 -11.825 95 HG21 VAL 17 1HG2 VAL 17 -1.086 -11.574 -12.347 96 HG22 VAL 17 2HG2 VAL 17 0.650 -11.273 -12.414 97 HG23 VAL 17 3HG2 VAL 17 -0.095 -11.808 -10.907 98 H LEU 18 H LEU 18 -1.825 -7.249 -13.397 99 HA LEU 18 HA LEU 18 -0.884 -4.961 -11.808 100 HB2 LEU 18 1HB LEU 18 -0.835 -4.410 -14.095 101 HB3 LEU 18 2HB LEU 18 -2.404 -5.156 -14.390 102 HG LEU 18 HG LEU 18 -3.370 -3.307 -12.919 103 HD11 LEU 18 1HD1 LEU 18 -1.755 -2.176 -11.828 104 HD12 LEU 18 2HD1 LEU 18 -1.709 -1.231 -13.316 105 HD13 LEU 18 3HD1 LEU 18 -0.533 -2.519 -13.053 106 HD21 LEU 18 1HD2 LEU 18 -2.528 -1.714 -15.082 107 HD22 LEU 18 2HD2 LEU 18 -4.031 -2.622 -14.923 108 HD23 LEU 18 3HD2 LEU 18 -2.623 -3.371 -15.678 109 H ILE 19 H ILE 19 -2.227 -3.910 -10.422 110 HA ILE 19 HA ILE 19 -4.879 -5.119 -10.007 111 HB ILE 19 HB ILE 19 -3.228 -3.563 -8.014 112 HG12 ILE 19 1HG1 ILE 19 -2.276 -5.800 -8.715 113 HG13 ILE 19 2HG1 ILE 19 -2.636 -5.641 -6.999 114 HG21 ILE 19 1HG2 ILE 19 -5.901 -4.887 -7.924 115 HG22 ILE 19 2HG2 ILE 19 -4.917 -4.809 -6.463 116 HG23 ILE 19 3HG2 ILE 19 -5.399 -3.323 -7.282 117 HD11 ILE 19 1HD1 ILE 19 -4.962 -6.668 -8.104 118 HD12 ILE 19 2HD1 ILE 19 -3.655 -7.518 -8.930 119 HD13 ILE 19 3HD1 ILE 19 -3.750 -7.544 -7.169 120 H ARG 20 H ARG 20 -6.519 -3.932 -10.703 121 HA ARG 20 HA ARG 20 -6.299 -0.997 -10.546 122 HB2 ARG 20 1HB ARG 20 -7.693 -2.693 -12.622 123 HB3 ARG 20 2HB ARG 20 -7.878 -0.949 -12.494 124 HG2 ARG 20 1HG ARG 20 -5.238 -1.023 -12.634 125 HG3 ARG 20 2HG ARG 20 -5.574 -2.551 -13.450 126 HD2 ARG 20 1HD ARG 20 -7.083 -1.360 -14.994 127 HD3 ARG 20 2HD ARG 20 -6.667 0.158 -14.201 128 HE ARG 20 HE ARG 20 -4.260 -0.736 -14.927 129 HH11 ARG 20 2HH1 ARG 20 -7.252 -0.520 -16.693 130 HH12 ARG 20 1HH1 ARG 20 -6.481 -0.294 -18.228 131 HH21 ARG 20 2HH2 ARG 20 -3.233 -0.439 -16.941 132 HH22 ARG 20 1HH2 ARG 20 -4.195 -0.248 -18.368 133 H MET 21 H MET 21 -7.587 -0.202 -9.030 134 HA MET 21 HA MET 21 -10.329 -1.176 -8.827 135 HB2 MET 21 1HB MET 21 -10.265 -1.540 -6.479 136 HB3 MET 21 2HB MET 21 -8.903 -2.422 -7.158 137 HG2 MET 21 1HG MET 21 -8.477 0.350 -6.164 138 HG3 MET 21 2HG MET 21 -8.632 -0.967 -5.004 139 HE1 MET 21 1HE MET 21 -6.173 -3.261 -5.283 140 HE2 MET 21 2HE MET 21 -5.490 -1.928 -4.352 141 HE3 MET 21 3HE MET 21 -7.219 -2.269 -4.268 142 H LYS 22 H LYS 22 -11.579 0.250 -7.214 143 HA LYS 22 HA LYS 22 -10.635 3.032 -7.453 144 HB2 LYS 22 1HB LYS 22 -13.517 2.136 -7.587 145 HB3 LYS 22 2HB LYS 22 -12.895 3.758 -7.862 146 HG2 LYS 22 1HG LYS 22 -12.048 3.226 -9.942 147 HG3 LYS 22 2HG LYS 22 -11.974 1.499 -9.584 148 HD2 LYS 22 1HD LYS 22 -14.639 2.822 -9.597 149 HD3 LYS 22 2HD LYS 22 -13.852 2.518 -11.147 150 HE2 LYS 22 1HE LYS 22 -14.282 0.414 -9.032 151 HE3 LYS 22 2HE LYS 22 -15.389 0.699 -10.374 152 HZ1 LYS 22 1HZ LYS 22 -13.244 0.402 -11.781 153 HZ2 LYS 22 2HZ LYS 22 -14.067 -0.958 -11.204 154 HZ3 LYS 22 3HZ LYS 22 -12.672 -0.416 -10.415 155 HA PRO 23 HA PRO 23 -11.226 3.461 -3.123 156 HB2 PRO 23 1HB PRO 23 -11.908 6.083 -2.955 157 HB3 PRO 23 2HB PRO 23 -10.267 5.539 -3.324 158 HG2 PRO 23 1HG PRO 23 -12.409 6.492 -5.185 159 HG3 PRO 23 2HG PRO 23 -10.677 6.875 -5.182 160 HD2 PRO 23 1HD PRO 23 -11.763 5.051 -6.862 161 HD3 PRO 23 2HD PRO 23 -10.111 4.902 -6.230 162 H ASP 24 H ASP 24 -12.870 2.678 -1.979 163 HA ASP 24 HA ASP 24 -15.532 2.617 -2.775 164 HB2 ASP 24 1HB ASP 24 -14.222 1.320 -0.886 165 HB3 ASP 24 2HB ASP 24 -14.868 2.598 0.141 166 H GLU 25 H GLU 25 -17.264 3.468 -1.005 167 HA GLU 25 HA GLU 25 -17.608 6.176 -1.521 168 HB2 GLU 25 1HB GLU 25 -18.799 4.326 0.524 169 HB3 GLU 25 2HB GLU 25 -19.230 6.031 0.495 170 HG2 GLU 25 1HG GLU 25 -20.114 5.840 -1.716 171 HG3 GLU 25 2HG GLU 25 -19.511 4.190 -1.866 172 H ASN 26 H ASN 26 -16.103 4.565 1.223 173 HA ASN 26 HA ASN 26 -15.698 7.059 2.640 174 HB2 ASN 26 1HB ASN 26 -15.133 4.174 3.205 175 HB3 ASN 26 2HB ASN 26 -14.276 5.410 4.122 176 HD21 ASN 26 1HD2 ASN 26 -15.229 5.033 6.061 177 HD22 ASN 26 2HD2 ASN 26 -16.904 5.313 6.378 178 H GLY 27 H GLY 27 -14.488 6.658 -0.025 179 HA2 GLY 27 1HA GLY 27 -12.412 6.723 -1.079 180 HA3 GLY 27 2HA GLY 27 -12.204 8.036 0.070 181 H ARG 28 H ARG 28 -12.259 4.490 0.414 182 HA ARG 28 HA ARG 28 -9.464 4.498 1.207 183 HB2 ARG 28 1HB ARG 28 -9.805 3.531 3.366 184 HB3 ARG 28 2HB ARG 28 -10.791 4.985 3.280 185 HG2 ARG 28 1HG ARG 28 -12.304 3.570 4.202 186 HG3 ARG 28 2HG ARG 28 -12.630 3.252 2.497 187 HD2 ARG 28 1HD ARG 28 -10.825 1.410 2.753 188 HD3 ARG 28 2HD ARG 28 -11.127 1.588 4.481 189 HE ARG 28 HE ARG 28 -13.509 1.207 2.913 190 HH11 ARG 28 2HH1 ARG 28 -10.908 -0.363 4.613 191 HH12 ARG 28 1HH1 ARG 28 -11.789 -1.833 4.868 192 HH21 ARG 28 2HH2 ARG 28 -14.678 -0.723 3.242 193 HH22 ARG 28 1HH2 ARG 28 -13.932 -2.037 4.087 194 H PHE 29 H PHE 29 -8.465 2.508 0.994 195 HA PHE 29 HA PHE 29 -10.018 0.518 -0.484 196 HB2 PHE 29 1HB PHE 29 -7.023 0.662 -0.088 197 HB3 PHE 29 2HB PHE 29 -7.888 -0.368 -1.224 198 HD1 PHE 29 1HD PHE 29 -8.896 0.570 -3.235 199 HD2 PHE 29 2HD PHE 29 -6.653 2.986 -0.542 200 HE1 PHE 29 1HE PHE 29 -8.725 2.322 -4.954 201 HE2 PHE 29 2HE PHE 29 -6.479 4.741 -2.257 202 HZ PHE 29 HZ PHE 29 -7.516 4.411 -4.466 203 H GLY 30 H GLY 30 -9.495 -1.806 -0.072 204 HA2 GLY 30 1HA GLY 30 -9.301 -2.252 2.840 205 HA3 GLY 30 2HA GLY 30 -10.219 -3.264 1.735 206 H PHE 31 H PHE 31 -6.886 -2.145 2.297 207 HA PHE 31 HA PHE 31 -5.877 -4.811 2.341 208 HB2 PHE 31 1HB PHE 31 -4.670 -4.903 0.324 209 HB3 PHE 31 2HB PHE 31 -6.252 -4.292 -0.148 210 HD1 PHE 31 1HD PHE 31 -2.756 -3.320 0.533 211 HD2 PHE 31 2HD PHE 31 -6.494 -2.172 -1.148 212 HE1 PHE 31 1HE PHE 31 -1.683 -1.369 -0.514 213 HE2 PHE 31 2HE PHE 31 -5.427 -0.220 -2.198 214 HZ PHE 31 HZ PHE 31 -3.018 0.183 -1.883 215 H ASN 32 H ASN 32 -4.274 -4.756 3.758 216 HA ASN 32 HA ASN 32 -2.848 -2.229 4.185 217 HB2 ASN 32 1HB ASN 32 -3.996 -3.316 6.123 218 HB3 ASN 32 2HB ASN 32 -2.896 -4.681 5.955 219 HD21 ASN 32 1HD2 ASN 32 -3.299 -1.459 7.063 220 HD22 ASN 32 2HD2 ASN 32 -1.743 -1.281 7.794 221 H VAL 33 H VAL 33 -0.533 -2.303 4.611 222 HA VAL 33 HA VAL 33 0.820 -4.546 3.262 223 HB VAL 33 HB VAL 33 2.432 -2.990 2.293 224 HG11 VAL 33 1HG1 VAL 33 1.107 -2.953 0.514 225 HG12 VAL 33 2HG1 VAL 33 -0.291 -3.247 1.550 226 HG13 VAL 33 3HG1 VAL 33 0.213 -1.594 1.194 227 HG21 VAL 33 1HG2 VAL 33 2.675 -1.078 3.458 228 HG22 VAL 33 2HG2 VAL 33 1.407 -0.487 2.384 229 HG23 VAL 33 3HG2 VAL 33 0.996 -1.069 3.997 230 H LYS 34 H LYS 34 3.217 -4.566 3.760 231 HA LYS 34 HA LYS 34 3.897 -3.463 6.374 232 HB2 LYS 34 1HB LYS 34 4.646 -5.647 7.223 233 HB3 LYS 34 2HB LYS 34 2.915 -5.627 6.912 234 HG2 LYS 34 1HG LYS 34 3.261 -6.819 4.820 235 HG3 LYS 34 2HG LYS 34 5.005 -6.811 5.094 236 HD2 LYS 34 1HD LYS 34 4.756 -8.187 7.051 237 HD3 LYS 34 2HD LYS 34 2.997 -8.080 6.954 238 HE2 LYS 34 1HE LYS 34 4.671 -9.243 4.744 239 HE3 LYS 34 2HE LYS 34 4.074 -10.216 6.087 240 HZ1 LYS 34 1HZ LYS 34 2.267 -8.578 4.413 241 HZ2 LYS 34 2HZ LYS 34 1.865 -9.850 5.452 242 HZ3 LYS 34 3HZ LYS 34 2.673 -10.168 4.000 243 H GLY 35 H GLY 35 6.128 -3.319 6.769 244 HA2 GLY 35 1HA GLY 35 8.413 -3.747 6.217 245 HA3 GLY 35 2HA GLY 35 7.905 -4.175 4.590 246 H GLY 36 H GLY 36 9.454 -2.768 3.687 247 HA2 GLY 36 1HA GLY 36 9.091 -0.599 2.466 248 HA3 GLY 36 2HA GLY 36 8.847 0.100 4.060 249 H TYR 37 H TYR 37 10.748 1.072 2.269 250 HA TYR 37 HA TYR 37 13.308 0.143 2.353 251 HB2 TYR 37 1HB TYR 37 12.605 2.180 1.149 252 HB3 TYR 37 2HB TYR 37 12.483 3.036 2.682 253 HD1 TYR 37 1HD TYR 37 14.545 3.497 4.001 254 HD2 TYR 37 2HD TYR 37 14.704 1.874 0.072 255 HE1 TYR 37 1HE TYR 37 16.916 4.133 3.841 256 HE2 TYR 37 2HE TYR 37 17.075 2.504 -0.099 257 HH TYR 37 HH TYR 37 18.616 4.518 2.266 258 H ASP 38 H ASP 38 11.463 1.454 4.974 259 HA ASP 38 HA ASP 38 13.545 2.164 6.722 260 HB2 ASP 38 1HB ASP 38 11.912 2.274 8.414 261 HB3 ASP 38 2HB ASP 38 11.033 2.648 6.934 262 H GLN 39 H GLN 39 11.895 -0.906 6.158 263 HA GLN 39 HA GLN 39 13.752 -2.210 8.026 264 HB2 GLN 39 1HB GLN 39 10.984 -2.822 7.112 265 HB3 GLN 39 2HB GLN 39 12.031 -4.173 7.524 266 HG2 GLN 39 1HG GLN 39 12.460 -2.839 9.707 267 HG3 GLN 39 2HG GLN 39 10.972 -2.000 9.271 268 HE21 GLN 39 1HE2 GLN 39 9.295 -3.771 8.391 269 HE22 GLN 39 2HE2 GLN 39 9.014 -5.049 9.519 270 H LYS 40 H LYS 40 14.385 -1.360 5.275 271 HA LYS 40 HA LYS 40 15.153 -2.197 3.265 272 HB2 LYS 40 1HB LYS 40 16.493 -3.789 5.437 273 HB3 LYS 40 2HB LYS 40 16.922 -4.017 3.746 274 HG2 LYS 40 1HG LYS 40 18.493 -2.495 4.533 275 HG3 LYS 40 2HG LYS 40 17.310 -1.489 3.694 276 HD2 LYS 40 1HD LYS 40 16.211 -1.350 6.074 277 HD3 LYS 40 2HD LYS 40 17.836 -1.775 6.618 278 HE2 LYS 40 1HE LYS 40 18.552 0.147 4.991 279 HE3 LYS 40 2HE LYS 40 16.882 0.673 5.199 280 HZ1 LYS 40 1HZ LYS 40 17.286 0.614 7.633 281 HZ2 LYS 40 2HZ LYS 40 18.213 1.769 6.816 282 HZ3 LYS 40 3HZ LYS 40 18.923 0.320 7.323 283 H MET 41 H MET 41 12.613 -3.212 3.684 284 HA MET 41 HA MET 41 12.870 -5.840 2.412 285 HB2 MET 41 1HB MET 41 11.291 -6.884 3.792 286 HB3 MET 41 2HB MET 41 12.305 -5.986 4.914 287 HG2 MET 41 1HG MET 41 10.656 -4.276 5.144 288 HG3 MET 41 2HG MET 41 9.679 -4.977 3.856 289 HE1 MET 41 1HE MET 41 8.726 -7.041 3.789 290 HE2 MET 41 2HE MET 41 8.565 -8.243 5.069 291 HE3 MET 41 3HE MET 41 7.404 -6.919 4.950 292 HA PRO 42 HA PRO 42 9.933 -4.296 -0.464 293 HB2 PRO 42 1HB PRO 42 8.695 -6.592 -1.216 294 HB3 PRO 42 2HB PRO 42 10.343 -6.184 -1.707 295 HG2 PRO 42 1HG PRO 42 9.413 -7.991 0.491 296 HG3 PRO 42 2HG PRO 42 10.721 -8.237 -0.681 297 HD2 PRO 42 1HD PRO 42 11.177 -7.431 1.864 298 HD3 PRO 42 2HD PRO 42 12.199 -6.923 0.504 299 H VAL 43 H VAL 43 7.730 -3.821 -0.765 300 HA VAL 43 HA VAL 43 6.141 -4.004 1.649 301 HB VAL 43 HB VAL 43 5.366 -2.720 -0.970 302 HG11 VAL 43 1HG1 VAL 43 3.831 -1.422 0.383 303 HG12 VAL 43 2HG1 VAL 43 3.539 -3.145 0.627 304 HG13 VAL 43 3HG1 VAL 43 4.411 -2.216 1.846 305 HG21 VAL 43 1HG2 VAL 43 7.296 -1.555 -0.470 306 HG22 VAL 43 2HG2 VAL 43 6.073 -0.601 0.369 307 HG23 VAL 43 3HG2 VAL 43 7.079 -1.733 1.271 308 H ILE 44 H ILE 44 4.932 -5.738 2.011 309 HA ILE 44 HA ILE 44 3.482 -6.933 -0.259 310 HB ILE 44 HB ILE 44 4.653 -8.421 2.094 311 HG12 ILE 44 1HG1 ILE 44 5.834 -9.563 0.012 312 HG13 ILE 44 2HG1 ILE 44 5.534 -7.994 -0.728 313 HG21 ILE 44 1HG2 ILE 44 3.878 -10.201 0.082 314 HG22 ILE 44 2HG2 ILE 44 3.125 -9.972 1.659 315 HG23 ILE 44 3HG2 ILE 44 2.536 -9.072 0.262 316 HD11 ILE 44 1HD1 ILE 44 7.481 -8.777 1.295 317 HD12 ILE 44 2HD1 ILE 44 7.499 -7.431 0.156 318 HD13 ILE 44 3HD1 ILE 44 6.612 -7.290 1.673 319 H VAL 45 H VAL 45 1.377 -7.574 0.101 320 HA VAL 45 HA VAL 45 -0.161 -6.159 1.923 321 HB VAL 45 HB VAL 45 -0.822 -8.785 0.582 322 HG11 VAL 45 1HG1 VAL 45 -2.563 -6.796 2.026 323 HG12 VAL 45 2HG1 VAL 45 -3.192 -8.030 0.932 324 HG13 VAL 45 3HG1 VAL 45 -2.334 -8.505 2.399 325 HG21 VAL 45 1HG2 VAL 45 -2.075 -6.337 -0.395 326 HG22 VAL 45 2HG2 VAL 45 -0.322 -6.353 -0.583 327 HG23 VAL 45 3HG2 VAL 45 -1.296 -7.645 -1.286 328 H SER 46 H SER 46 -1.035 -6.584 3.913 329 HA SER 46 HA SER 46 0.195 -8.807 5.387 330 HB2 SER 46 1HB SER 46 -0.731 -7.392 7.391 331 HB3 SER 46 2HB SER 46 0.733 -6.872 6.557 332 HG SER 46 HG SER 46 -1.318 -5.409 6.944 333 H ARG 47 H ARG 47 -2.905 -7.058 5.181 334 HA ARG 47 HA ARG 47 -4.303 -9.605 5.516 335 HB2 ARG 47 1HB ARG 47 -4.028 -8.339 7.742 336 HB3 ARG 47 2HB ARG 47 -5.180 -7.188 7.077 337 HG2 ARG 47 1HG ARG 47 -6.361 -8.739 8.455 338 HG3 ARG 47 2HG ARG 47 -6.786 -9.056 6.772 339 HD2 ARG 47 1HD ARG 47 -5.429 -10.984 6.689 340 HD3 ARG 47 2HD ARG 47 -4.608 -10.562 8.191 341 HE ARG 47 HE ARG 47 -7.071 -11.977 7.923 342 HH11 ARG 47 2HH1 ARG 47 -5.295 -9.796 9.974 343 HH12 ARG 47 1HH1 ARG 47 -6.113 -10.284 11.422 344 HH21 ARG 47 2HH2 ARG 47 -8.155 -12.628 9.822 345 HH22 ARG 47 1HH2 ARG 47 -7.739 -11.895 11.334 346 H VAL 48 H VAL 48 -6.489 -9.581 4.769 347 HA VAL 48 HA VAL 48 -7.306 -7.218 3.242 348 HB VAL 48 HB VAL 48 -7.249 -10.005 2.075 349 HG11 VAL 48 1HG1 VAL 48 -7.928 -7.447 0.651 350 HG12 VAL 48 2HG1 VAL 48 -8.188 -9.108 0.113 351 HG13 VAL 48 3HG1 VAL 48 -9.155 -8.445 1.431 352 HG21 VAL 48 1HG2 VAL 48 -5.169 -9.557 1.438 353 HG22 VAL 48 2HG2 VAL 48 -5.780 -8.195 0.499 354 HG23 VAL 48 3HG2 VAL 48 -5.253 -7.953 2.165 355 H ALA 49 H ALA 49 -9.161 -6.716 4.229 356 HA ALA 49 HA ALA 49 -10.910 -8.705 5.340 357 HB1 ALA 49 1HB ALA 49 -10.682 -5.800 5.388 358 HB2 ALA 49 2HB ALA 49 -12.351 -6.369 5.322 359 HB3 ALA 49 3HB ALA 49 -11.285 -6.912 6.618 360 HA PRO 50 HA PRO 50 -13.477 -9.478 1.854 361 HB2 PRO 50 1HB PRO 50 -15.794 -10.119 3.115 362 HB3 PRO 50 2HB PRO 50 -14.389 -11.191 3.083 363 HG2 PRO 50 1HG PRO 50 -15.304 -9.330 5.243 364 HG3 PRO 50 2HG PRO 50 -14.694 -10.990 5.380 365 HD2 PRO 50 1HD PRO 50 -13.150 -8.824 5.887 366 HD3 PRO 50 2HD PRO 50 -12.492 -10.328 5.212 367 H GLY 51 H GLY 51 -15.644 -8.867 0.919 368 HA2 GLY 51 1HA GLY 51 -17.036 -7.212 0.147 369 HA3 GLY 51 2HA GLY 51 -17.222 -6.772 1.838 370 H THR 52 H THR 52 -14.184 -6.662 0.080 371 HA THR 52 HA THR 52 -14.258 -3.720 0.280 372 HB THR 52 HB THR 52 -11.752 -3.839 0.442 373 HG1 THR 52 1HG THR 52 -11.157 -6.070 1.348 374 HG21 THR 52 1HG2 THR 52 -12.673 -5.380 2.780 375 HG22 THR 52 2HG2 THR 52 -13.615 -3.937 2.404 376 HG23 THR 52 3HG2 THR 52 -11.881 -3.807 2.698 377 HA PRO 53 HA PRO 53 -13.526 -3.454 -4.042 378 HB2 PRO 53 1HB PRO 53 -12.045 -1.183 -4.179 379 HB3 PRO 53 2HB PRO 53 -13.776 -1.181 -3.820 380 HG2 PRO 53 1HG PRO 53 -11.453 -0.977 -1.943 381 HG3 PRO 53 2HG PRO 53 -12.973 -0.063 -1.946 382 HD2 PRO 53 1HD PRO 53 -12.533 -2.155 -0.284 383 HD3 PRO 53 2HD PRO 53 -14.143 -1.764 -0.922 384 H ALA 54 H ALA 54 -11.173 -4.333 -1.916 385 HA ALA 54 HA ALA 54 -9.007 -4.314 -3.895 386 HB1 ALA 54 1HB ALA 54 -7.946 -5.402 -1.612 387 HB2 ALA 54 2HB ALA 54 -7.856 -3.703 -2.080 388 HB3 ALA 54 3HB ALA 54 -9.123 -4.250 -0.982 389 H ASP 55 H ASP 55 -11.335 -6.370 -2.461 390 HA ASP 55 HA ASP 55 -9.876 -8.780 -3.284 391 HB2 ASP 55 1HB ASP 55 -11.084 -8.402 -0.957 392 HB3 ASP 55 2HB ASP 55 -12.502 -8.912 -1.868 393 H LEU 56 H LEU 56 -13.263 -7.652 -3.351 394 HA LEU 56 HA LEU 56 -14.275 -9.353 -5.230 395 HB2 LEU 56 1HB LEU 56 -14.915 -6.414 -5.065 396 HB3 LEU 56 2HB LEU 56 -15.945 -7.680 -5.729 397 HG LEU 56 HG LEU 56 -15.132 -7.515 -2.830 398 HD11 LEU 56 1HD1 LEU 56 -16.447 -5.601 -3.178 399 HD12 LEU 56 2HD1 LEU 56 -17.559 -6.816 -2.551 400 HD13 LEU 56 3HD1 LEU 56 -17.539 -6.447 -4.275 401 HD21 LEU 56 1HD2 LEU 56 -17.286 -8.982 -2.746 402 HD22 LEU 56 2HD2 LEU 56 -15.739 -9.710 -3.178 403 HD23 LEU 56 3HD2 LEU 56 -16.904 -9.301 -4.438 404 H CYS 57 H CYS 57 -12.192 -6.598 -5.751 405 HA CYS 57 HA CYS 57 -12.554 -6.234 -8.497 406 HB2 CYS 57 1HB CYS 57 -10.385 -5.131 -8.481 407 HB3 CYS 57 2HB CYS 57 -11.295 -4.679 -7.045 408 HG CYS 57 HG CYS 57 -8.288 -5.878 -7.223 409 H VAL 58 H VAL 58 -11.005 -6.788 -10.230 410 HA VAL 58 HA VAL 58 -9.873 -9.485 -9.855 411 HB VAL 58 HB VAL 58 -11.463 -8.397 -12.165 412 HG11 VAL 58 1HG1 VAL 58 -10.825 -10.670 -13.228 413 HG12 VAL 58 2HG1 VAL 58 -9.693 -9.322 -13.345 414 HG13 VAL 58 3HG1 VAL 58 -9.431 -10.594 -12.152 415 HG21 VAL 58 1HG2 VAL 58 -12.915 -10.179 -11.781 416 HG22 VAL 58 2HG2 VAL 58 -11.714 -11.087 -10.862 417 HG23 VAL 58 3HG2 VAL 58 -12.468 -9.658 -10.156 418 HA PRO 59 HA PRO 59 -8.380 -10.721 -10.190 419 HB2 PRO 59 1HB PRO 59 -5.949 -10.856 -8.989 420 HB3 PRO 59 2HB PRO 59 -6.207 -11.281 -10.685 421 HG2 PRO 59 1HG PRO 59 -5.146 -8.741 -9.510 422 HG3 PRO 59 2HG PRO 59 -4.571 -9.646 -10.922 423 HD2 PRO 59 1HD PRO 59 -6.120 -7.436 -11.141 424 HD3 PRO 59 2HD PRO 59 -6.202 -8.778 -12.300 425 H ARG 60 H ARG 60 -8.039 -11.451 -7.858 426 HA ARG 60 HA ARG 60 -9.034 -9.342 -6.116 427 HB2 ARG 60 1HB ARG 60 -10.276 -11.402 -6.083 428 HB3 ARG 60 2HB ARG 60 -8.817 -12.334 -5.773 429 HG2 ARG 60 1HG ARG 60 -8.719 -10.769 -3.637 430 HG3 ARG 60 2HG ARG 60 -10.459 -10.703 -3.924 431 HD2 ARG 60 1HD ARG 60 -10.338 -12.539 -2.562 432 HD3 ARG 60 2HD ARG 60 -10.194 -13.307 -4.143 433 HE ARG 60 HE ARG 60 -7.651 -12.618 -3.048 434 HH11 ARG 60 2HH1 ARG 60 -10.211 -14.975 -2.933 435 HH12 ARG 60 1HH1 ARG 60 -9.179 -16.262 -2.402 436 HH21 ARG 60 2HH2 ARG 60 -6.282 -14.303 -2.349 437 HH22 ARG 60 1HH2 ARG 60 -6.945 -15.878 -2.069 438 H LEU 61 H LEU 61 -7.743 -8.250 -4.801 439 HA LEU 61 HA LEU 61 -4.997 -8.893 -4.475 440 HB2 LEU 61 1HB LEU 61 -6.111 -6.600 -4.401 441 HB3 LEU 61 2HB LEU 61 -6.558 -6.998 -2.744 442 HG LEU 61 HG LEU 61 -4.118 -7.272 -2.244 443 HD11 LEU 61 1HD1 LEU 61 -2.544 -7.092 -3.808 444 HD12 LEU 61 2HD1 LEU 61 -3.272 -5.638 -4.490 445 HD13 LEU 61 3HD1 LEU 61 -3.847 -7.229 -4.989 446 HD21 LEU 61 1HD2 LEU 61 -5.400 -5.228 -1.708 447 HD22 LEU 61 2HD2 LEU 61 -4.927 -4.552 -3.267 448 HD23 LEU 61 3HD2 LEU 61 -3.700 -4.904 -2.049 449 H ASN 62 H ASN 62 -4.025 -10.148 -3.024 450 HA ASN 62 HA ASN 62 -5.343 -10.697 -0.471 451 HB2 ASN 62 1HB ASN 62 -6.049 -12.655 -1.437 452 HB3 ASN 62 2HB ASN 62 -4.723 -12.688 -2.595 453 HD21 ASN 62 1HD2 ASN 62 -2.907 -13.800 -2.127 454 HD22 ASN 62 2HD2 ASN 62 -2.671 -14.707 -0.676 455 H GLU 63 H GLU 63 -3.816 -11.970 0.998 456 HA GLU 63 HA GLU 63 -1.464 -10.510 1.368 457 HB2 GLU 63 1HB GLU 63 -2.079 -13.282 2.406 458 HB3 GLU 63 2HB GLU 63 -0.883 -12.171 3.059 459 HG2 GLU 63 1HG GLU 63 -2.497 -10.754 3.943 460 HG3 GLU 63 2HG GLU 63 -3.769 -11.401 2.909 461 H GLY 64 H GLY 64 0.748 -11.122 1.181 462 HA2 GLY 64 1HA GLY 64 2.494 -12.527 0.383 463 HA3 GLY 64 2HA GLY 64 1.321 -13.366 -0.621 464 H ASP 65 H ASP 65 0.108 -11.147 -1.840 465 HA ASP 65 HA ASP 65 1.711 -10.744 -4.057 466 HB2 ASP 65 1HB ASP 65 -0.512 -8.995 -2.986 467 HB3 ASP 65 2HB ASP 65 0.183 -8.846 -4.597 468 H GLN 66 H GLN 66 3.615 -9.773 -4.196 469 HA GLN 66 HA GLN 66 4.339 -7.685 -2.305 470 HB2 GLN 66 1HB GLN 66 6.030 -9.323 -2.624 471 HB3 GLN 66 2HB GLN 66 5.890 -9.232 -4.374 472 HG2 GLN 66 1HG GLN 66 6.673 -6.772 -2.917 473 HG3 GLN 66 2HG GLN 66 7.859 -8.069 -3.057 474 HE21 GLN 66 1HE2 GLN 66 8.854 -6.134 -4.231 475 HE22 GLN 66 2HE2 GLN 66 8.590 -6.072 -5.937 476 H VAL 67 H VAL 67 4.290 -5.583 -2.747 477 HA VAL 67 HA VAL 67 3.481 -4.701 -5.384 478 HB VAL 67 HB VAL 67 4.036 -3.072 -2.900 479 HG11 VAL 67 1HG1 VAL 67 2.214 -1.759 -4.560 480 HG12 VAL 67 2HG1 VAL 67 3.893 -1.313 -4.254 481 HG13 VAL 67 3HG1 VAL 67 3.488 -2.338 -5.632 482 HG21 VAL 67 1HG2 VAL 67 2.196 -4.207 -2.210 483 HG22 VAL 67 2HG2 VAL 67 1.378 -2.970 -3.165 484 HG23 VAL 67 3HG2 VAL 67 1.665 -4.569 -3.852 485 H VAL 68 H VAL 68 4.840 -4.089 -6.923 486 HA VAL 68 HA VAL 68 7.648 -3.661 -6.282 487 HB VAL 68 HB VAL 68 6.321 -3.712 -8.994 488 HG11 VAL 68 1HG1 VAL 68 9.127 -4.473 -8.780 489 HG12 VAL 68 2HG1 VAL 68 8.334 -3.368 -9.904 490 HG13 VAL 68 3HG1 VAL 68 8.819 -2.803 -8.305 491 HG21 VAL 68 1HG2 VAL 68 5.988 -5.881 -8.485 492 HG22 VAL 68 2HG2 VAL 68 7.709 -6.028 -8.840 493 HG23 VAL 68 3HG2 VAL 68 7.165 -5.862 -7.171 494 H LEU 69 H LEU 69 5.076 -1.963 -8.071 495 HA LEU 69 HA LEU 69 6.257 0.582 -7.250 496 HB2 LEU 69 1HB LEU 69 5.407 0.131 -10.095 497 HB3 LEU 69 2HB LEU 69 6.290 1.501 -9.424 498 HG LEU 69 HG LEU 69 7.473 -1.261 -9.512 499 HD11 LEU 69 1HD1 LEU 69 7.263 -1.059 -11.757 500 HD12 LEU 69 2HD1 LEU 69 8.700 -0.058 -11.553 501 HD13 LEU 69 3HD1 LEU 69 7.113 0.697 -11.700 502 HD21 LEU 69 1HD2 LEU 69 9.572 -0.038 -9.382 503 HD22 LEU 69 2HD2 LEU 69 8.519 0.391 -8.033 504 HD23 LEU 69 3HD2 LEU 69 8.698 1.494 -9.398 505 H ILE 70 H ILE 70 4.793 2.396 -7.465 506 HA ILE 70 HA ILE 70 1.963 1.604 -7.667 507 HB ILE 70 HB ILE 70 3.139 3.504 -5.634 508 HG12 ILE 70 1HG1 ILE 70 1.810 0.812 -5.256 509 HG13 ILE 70 2HG1 ILE 70 3.543 1.102 -5.161 510 HG21 ILE 70 1HG2 ILE 70 0.795 3.946 -6.654 511 HG22 ILE 70 2HG2 ILE 70 0.298 2.573 -5.667 512 HG23 ILE 70 3HG2 ILE 70 1.000 3.999 -4.904 513 HD11 ILE 70 1HD1 ILE 70 1.710 1.199 -3.084 514 HD12 ILE 70 2HD1 ILE 70 3.387 1.745 -3.049 515 HD13 ILE 70 3HD1 ILE 70 2.095 2.886 -3.423 516 H ASN 71 H ASN 71 0.878 2.739 -9.126 517 HA ASN 71 HA ASN 71 0.282 4.363 -10.602 518 HB2 ASN 71 1HB ASN 71 1.379 5.902 -8.296 519 HB3 ASN 71 2HB ASN 71 1.074 6.773 -9.796 520 HD21 ASN 71 1HD2 ASN 71 -0.686 4.068 -8.363 521 HD22 ASN 71 2HD2 ASN 71 -2.188 4.905 -8.195 522 H GLY 72 H GLY 72 2.911 3.011 -10.816 523 HA2 GLY 72 1HA GLY 72 4.486 3.070 -12.531 524 HA3 GLY 72 2HA GLY 72 3.987 4.715 -12.897 525 H ARG 73 H ARG 73 4.348 5.145 -9.831 526 HA ARG 73 HA ARG 73 7.131 5.976 -10.077 527 HB2 ARG 73 1HB ARG 73 4.837 6.726 -8.329 528 HB3 ARG 73 2HB ARG 73 6.462 6.953 -7.696 529 HG2 ARG 73 1HG ARG 73 7.020 8.491 -9.380 530 HG3 ARG 73 2HG ARG 73 5.626 8.041 -10.364 531 HD2 ARG 73 1HD ARG 73 4.118 9.043 -8.792 532 HD3 ARG 73 2HD ARG 73 5.428 9.328 -7.647 533 HE ARG 73 HE ARG 73 5.982 11.218 -8.809 534 HH11 ARG 73 2HH1 ARG 73 3.921 9.230 -10.789 535 HH12 ARG 73 1HH1 ARG 73 3.743 10.424 -12.031 536 HH21 ARG 73 2HH2 ARG 73 5.756 12.798 -10.438 537 HH22 ARG 73 1HH2 ARG 73 4.788 12.453 -11.831 538 H ASP 74 H ASP 74 8.768 5.342 -8.701 539 HA ASP 74 HA ASP 74 8.526 2.719 -7.589 540 HB2 ASP 74 1HB ASP 74 10.915 3.242 -6.784 541 HB3 ASP 74 2HB ASP 74 10.631 3.182 -8.522 542 H ILE 75 H ILE 75 7.855 2.194 -5.625 543 HA ILE 75 HA ILE 75 7.764 4.284 -3.561 544 HB ILE 75 HB ILE 75 6.086 2.937 -2.434 545 HG12 ILE 75 1HG1 ILE 75 5.198 0.954 -3.965 546 HG13 ILE 75 2HG1 ILE 75 6.873 0.937 -4.505 547 HG21 ILE 75 1HG2 ILE 75 5.625 4.458 -4.522 548 HG22 ILE 75 2HG2 ILE 75 5.151 2.930 -5.262 549 HG23 ILE 75 3HG2 ILE 75 4.334 3.495 -3.805 550 HD11 ILE 75 1HD1 ILE 75 5.699 0.091 -1.958 551 HD12 ILE 75 2HD1 ILE 75 7.143 -0.480 -2.796 552 HD13 ILE 75 3HD1 ILE 75 7.209 0.992 -1.827 553 H ALA 76 H ALA 76 8.970 1.080 -4.279 554 HA ALA 76 HA ALA 76 9.683 0.106 -1.820 555 HB1 ALA 76 1HB ALA 76 10.841 -1.427 -2.970 556 HB2 ALA 76 2HB ALA 76 10.190 -0.621 -4.398 557 HB3 ALA 76 3HB ALA 76 11.802 -0.211 -3.813 558 H GLU 77 H GLU 77 11.074 2.787 -3.545 559 HA GLU 77 HA GLU 77 13.467 2.932 -1.972 560 HB2 GLU 77 1HB GLU 77 12.987 3.878 -4.359 561 HB3 GLU 77 2HB GLU 77 12.340 5.260 -3.486 562 HG2 GLU 77 1HG GLU 77 15.097 4.199 -2.974 563 HG3 GLU 77 2HG GLU 77 14.760 5.383 -4.236 564 H HIS 78 H HIS 78 10.249 4.274 -1.793 565 HA HIS 78 HA HIS 78 10.916 6.192 0.251 566 HB2 HIS 78 1HB HIS 78 8.408 5.327 -1.126 567 HB3 HIS 78 2HB HIS 78 8.280 6.197 0.400 568 HD1 HIS 78 1HD HIS 78 8.094 6.885 -3.003 569 HD2 HIS 78 2HD HIS 78 10.175 8.656 0.126 570 HE1 HIS 78 1HE HIS 78 8.628 9.215 -3.785 571 HE2 HIS 78 2HE HIS 78 9.961 10.239 -1.909 572 H THR 79 H THR 79 10.322 6.113 2.428 573 HA THR 79 HA THR 79 10.421 3.500 3.601 574 HB THR 79 HB THR 79 10.216 4.739 5.772 575 HG1 THR 79 1HG THR 79 9.847 6.853 5.772 576 HG21 THR 79 1HG2 THR 79 12.341 6.276 4.539 577 HG22 THR 79 2HG2 THR 79 12.355 4.596 4.002 578 HG23 THR 79 3HG2 THR 79 12.437 4.974 5.723 579 H HIS 80 H HIS 80 8.879 2.772 5.264 580 HA HIS 80 HA HIS 80 6.378 2.279 4.383 581 HB2 HIS 80 1HB HIS 80 7.488 1.383 6.484 582 HB3 HIS 80 2HB HIS 80 6.913 2.833 7.302 583 HD1 HIS 80 1HD HIS 80 5.062 0.543 4.894 584 HD2 HIS 80 2HD HIS 80 4.839 1.944 8.799 585 HE1 HIS 80 1HE HIS 80 2.904 -0.365 5.811 586 HE2 HIS 80 2HE HIS 80 2.749 0.566 8.146 587 H ASP 81 H ASP 81 7.121 4.930 6.653 588 HA ASP 81 HA ASP 81 4.667 6.108 6.853 589 HB2 ASP 81 1HB ASP 81 7.188 7.730 6.507 590 HB3 ASP 81 2HB ASP 81 5.766 8.129 7.468 591 H GLN 82 H GLN 82 7.075 6.716 4.308 592 HA GLN 82 HA GLN 82 5.522 8.594 2.884 593 HB2 GLN 82 1HB GLN 82 7.924 6.929 2.266 594 HB3 GLN 82 2HB GLN 82 7.090 7.732 0.942 595 HG2 GLN 82 1HG GLN 82 8.837 9.164 1.617 596 HG3 GLN 82 2HG GLN 82 7.338 9.877 2.213 597 HE21 GLN 82 1HE2 GLN 82 10.441 8.929 3.004 598 HE22 GLN 82 2HE2 GLN 82 10.309 9.001 4.725 599 H VAL 83 H VAL 83 6.152 5.147 2.217 600 HA VAL 83 HA VAL 83 4.550 4.811 0.008 601 HB VAL 83 HB VAL 83 4.964 2.841 2.262 602 HG11 VAL 83 1HG1 VAL 83 3.888 1.260 1.088 603 HG12 VAL 83 2HG1 VAL 83 3.118 2.623 0.273 604 HG13 VAL 83 3HG1 VAL 83 4.519 1.835 -0.455 605 HG21 VAL 83 1HG2 VAL 83 6.487 3.375 -0.281 606 HG22 VAL 83 2HG2 VAL 83 7.078 3.493 1.376 607 HG23 VAL 83 3HG2 VAL 83 6.690 1.916 0.689 608 H VAL 84 H VAL 84 3.542 4.055 3.350 609 HA VAL 84 HA VAL 84 0.908 3.498 2.960 610 HB VAL 84 HB VAL 84 2.060 5.123 5.232 611 HG11 VAL 84 1HG1 VAL 84 0.073 5.110 6.263 612 HG12 VAL 84 2HG1 VAL 84 -0.597 4.794 4.661 613 HG13 VAL 84 3HG1 VAL 84 -0.278 3.455 5.764 614 HG21 VAL 84 1HG2 VAL 84 2.905 2.722 4.640 615 HG22 VAL 84 2HG2 VAL 84 2.554 3.149 6.315 616 HG23 VAL 84 3HG2 VAL 84 1.385 2.218 5.379 617 H LEU 85 H LEU 85 2.113 6.765 3.754 618 HA LEU 85 HA LEU 85 -0.297 8.108 3.363 619 HB2 LEU 85 1HB LEU 85 2.572 8.906 3.335 620 HB3 LEU 85 2HB LEU 85 1.367 10.063 2.776 621 HG LEU 85 HG LEU 85 1.145 8.760 5.470 622 HD11 LEU 85 1HD1 LEU 85 2.724 10.037 6.389 623 HD12 LEU 85 2HD1 LEU 85 2.238 11.456 5.462 624 HD13 LEU 85 3HD1 LEU 85 3.326 10.268 4.747 625 HD21 LEU 85 1HD2 LEU 85 -0.145 10.772 5.975 626 HD22 LEU 85 2HD2 LEU 85 -0.822 9.908 4.594 627 HD23 LEU 85 3HD2 LEU 85 0.136 11.368 4.339 628 H PHE 86 H PHE 86 2.197 7.171 1.074 629 HA PHE 86 HA PHE 86 1.431 8.705 -1.121 630 HB2 PHE 86 1HB PHE 86 3.488 7.225 -0.884 631 HB3 PHE 86 2HB PHE 86 2.448 5.870 -1.310 632 HD1 PHE 86 1HD PHE 86 2.901 9.343 -2.607 633 HD2 PHE 86 2HD PHE 86 2.776 5.176 -3.464 634 HE1 PHE 86 1HE PHE 86 3.259 9.826 -4.992 635 HE2 PHE 86 2HE PHE 86 3.135 5.652 -5.851 636 HZ PHE 86 HZ PHE 86 3.377 7.980 -6.618 637 H ILE 87 H ILE 87 0.319 5.488 -0.114 638 HA ILE 87 HA ILE 87 -1.389 4.977 -2.264 639 HB ILE 87 HB ILE 87 -1.722 4.087 0.603 640 HG12 ILE 87 1HG1 ILE 87 -0.590 2.367 -1.562 641 HG13 ILE 87 2HG1 ILE 87 0.450 3.580 -0.823 642 HG21 ILE 87 1HG2 ILE 87 -2.680 2.415 -1.628 643 HG22 ILE 87 2HG2 ILE 87 -3.381 2.697 -0.035 644 HG23 ILE 87 3HG2 ILE 87 -3.596 3.890 -1.316 645 HD11 ILE 87 1HD1 ILE 87 -0.718 2.330 1.336 646 HD12 ILE 87 2HD1 ILE 87 -0.430 1.018 0.193 647 HD13 ILE 87 3HD1 ILE 87 0.906 2.046 0.711 648 H LYS 88 H LYS 88 -2.287 6.176 0.977 649 HA LYS 88 HA LYS 88 -4.950 6.705 0.495 650 HB2 LYS 88 1HB LYS 88 -2.927 7.937 2.332 651 HB3 LYS 88 2HB LYS 88 -4.547 8.614 2.239 652 HG2 LYS 88 1HG LYS 88 -5.518 6.531 2.934 653 HG3 LYS 88 2HG LYS 88 -3.945 5.734 2.874 654 HD2 LYS 88 1HD LYS 88 -3.170 7.392 4.610 655 HD3 LYS 88 2HD LYS 88 -4.856 7.888 4.773 656 HE2 LYS 88 1HE LYS 88 -3.867 5.064 5.143 657 HE3 LYS 88 2HE LYS 88 -4.117 6.210 6.460 658 HZ1 LYS 88 1HZ LYS 88 -6.248 5.668 6.493 659 HZ2 LYS 88 2HZ LYS 88 -5.999 4.541 5.256 660 HZ3 LYS 88 3HZ LYS 88 -6.433 6.131 4.877 661 H ALA 89 H ALA 89 -2.229 8.983 0.160 662 HA ALA 89 HA ALA 89 -3.353 11.280 -0.592 663 HB1 ALA 89 1HB ALA 89 -1.064 11.338 -0.732 664 HB2 ALA 89 2HB ALA 89 -0.974 9.855 -1.683 665 HB3 ALA 89 3HB ALA 89 -1.497 11.358 -2.442 666 H SER 90 H SER 90 -2.857 8.596 -2.887 667 HA SER 90 HA SER 90 -3.826 9.536 -5.197 668 HB2 SER 90 1HB SER 90 -3.204 7.113 -4.570 669 HB3 SER 90 2HB SER 90 -4.909 6.920 -4.163 670 HG SER 90 HG SER 90 -3.689 7.209 -6.638 671 H CYS 91 H CYS 91 -5.922 8.333 -2.580 672 HA CYS 91 HA CYS 91 -8.387 8.743 -3.723 673 HB2 CYS 91 1HB CYS 91 -8.226 7.660 -1.590 674 HB3 CYS 91 2HB CYS 91 -7.516 9.091 -0.852 675 HG CYS 91 HG CYS 91 -10.736 8.884 -1.996 676 H GLU 92 H GLU 92 -6.578 11.092 -1.742 677 HA GLU 92 HA GLU 92 -8.400 13.209 -2.561 678 HB2 GLU 92 1HB GLU 92 -7.322 12.819 -0.193 679 HB3 GLU 92 2HB GLU 92 -5.965 13.692 -0.891 680 HG2 GLU 92 1HG GLU 92 -7.564 15.528 -1.473 681 HG3 GLU 92 2HG GLU 92 -8.783 14.672 -0.530 682 H ARG 93 H ARG 93 -7.080 12.244 -4.735 683 HA ARG 93 HA ARG 93 -5.360 14.513 -5.438 684 HB2 ARG 93 1HB ARG 93 -3.935 12.537 -4.900 685 HB3 ARG 93 2HB ARG 93 -4.741 11.651 -6.186 686 HG2 ARG 93 1HG ARG 93 -3.966 13.556 -7.717 687 HG3 ARG 93 2HG ARG 93 -2.875 13.981 -6.397 688 HD2 ARG 93 1HD ARG 93 -1.898 11.754 -6.467 689 HD3 ARG 93 2HD ARG 93 -3.022 11.285 -7.742 690 HE ARG 93 HE ARG 93 -0.591 12.728 -8.057 691 HH11 ARG 93 2HH1 ARG 93 -3.819 12.406 -9.321 692 HH12 ARG 93 1HH1 ARG 93 -3.396 12.969 -10.904 693 HH21 ARG 93 2HH2 ARG 93 -0.022 13.471 -10.137 694 HH22 ARG 93 1HH2 ARG 93 -1.235 13.574 -11.367 695 H HIS 94 H HIS 94 -5.311 15.016 -7.687 696 HA HIS 94 HA HIS 94 -7.710 15.033 -8.997 697 HB2 HIS 94 1HB HIS 94 -5.483 16.255 -9.542 698 HB3 HIS 94 2HB HIS 94 -5.157 14.865 -10.573 699 HD1 HIS 94 1HD HIS 94 -5.451 15.845 -12.851 700 HD2 HIS 94 2HD HIS 94 -8.619 16.750 -10.319 701 HE1 HIS 94 1HE HIS 94 -7.171 16.968 -14.301 702 HE2 HIS 94 2HE HIS 94 -9.042 17.583 -12.732 703 H SER 95 H SER 95 -8.164 14.017 -11.202 704 HA SER 95 HA SER 95 -8.881 11.450 -11.062 705 HB2 SER 95 1HB SER 95 -8.693 11.299 -13.533 706 HB3 SER 95 2HB SER 95 -9.408 12.822 -13.006 707 HG SER 95 HG SER 95 -6.977 13.454 -13.099 708 H GLY 96 H GLY 96 -7.897 9.603 -10.606 709 HA2 GLY 96 1HA GLY 96 -5.685 8.568 -11.952 710 HA3 GLY 96 2HA GLY 96 -5.083 9.334 -10.490 711 H GLU 97 H GLU 97 -7.043 6.743 -11.784 712 HA GLU 97 HA GLU 97 -8.079 5.624 -9.483 713 HB2 GLU 97 1HB GLU 97 -8.187 3.530 -10.682 714 HB3 GLU 97 2HB GLU 97 -8.559 4.846 -11.788 715 HG2 GLU 97 1HG GLU 97 -5.901 3.452 -11.569 716 HG3 GLU 97 2HG GLU 97 -7.121 3.149 -12.805 717 H LEU 98 H LEU 98 -7.344 3.509 -8.480 718 HA LEU 98 HA LEU 98 -4.643 3.888 -7.494 719 HB2 LEU 98 1HB LEU 98 -6.834 3.260 -6.181 720 HB3 LEU 98 2HB LEU 98 -6.381 1.621 -6.645 721 HG LEU 98 HG LEU 98 -5.620 2.146 -4.392 722 HD11 LEU 98 1HD1 LEU 98 -4.301 0.613 -5.768 723 HD12 LEU 98 2HD1 LEU 98 -3.283 1.523 -4.652 724 HD13 LEU 98 3HD1 LEU 98 -3.339 1.969 -6.357 725 HD21 LEU 98 1HD2 LEU 98 -4.424 3.981 -3.802 726 HD22 LEU 98 2HD2 LEU 98 -5.270 4.666 -5.190 727 HD23 LEU 98 3HD2 LEU 98 -3.610 4.093 -5.363 728 H MET 99 H MET 99 -3.013 3.030 -8.597 729 HA MET 99 HA MET 99 -3.407 0.407 -9.876 730 HB2 MET 99 1HB MET 99 -2.713 2.605 -11.180 731 HB3 MET 99 2HB MET 99 -1.112 2.173 -10.596 732 HG2 MET 99 1HG MET 99 -1.080 1.079 -12.576 733 HG3 MET 99 2HG MET 99 -1.786 -0.185 -11.572 734 HE1 MET 99 1HE MET 99 -2.125 1.915 -14.714 735 HE2 MET 99 2HE MET 99 -1.897 0.170 -14.822 736 HE3 MET 99 3HE MET 99 -3.378 0.905 -15.437 737 H LEU 100 H LEU 100 -1.994 -1.245 -9.473 738 HA LEU 100 HA LEU 100 0.364 -0.757 -7.836 739 HB2 LEU 100 1HB LEU 100 -1.687 -2.787 -6.984 740 HB3 LEU 100 2HB LEU 100 -0.223 -2.309 -6.127 741 HG LEU 100 HG LEU 100 -2.326 -0.256 -6.624 742 HD11 LEU 100 1HD1 LEU 100 -2.842 -1.342 -4.097 743 HD12 LEU 100 2HD1 LEU 100 -2.797 -2.708 -5.210 744 HD13 LEU 100 3HD1 LEU 100 -3.894 -1.361 -5.513 745 HD21 LEU 100 1HD2 LEU 100 -0.153 0.333 -5.626 746 HD22 LEU 100 2HD2 LEU 100 -0.472 -0.792 -4.306 747 HD23 LEU 100 3HD2 LEU 100 -1.500 0.624 -4.526 748 H LEU 101 H LEU 101 1.949 -1.757 -8.871 749 HA LEU 101 HA LEU 101 1.379 -4.068 -10.546 750 HB2 LEU 101 1HB LEU 101 2.791 -2.165 -11.331 751 HB3 LEU 101 2HB LEU 101 3.994 -2.631 -10.130 752 HG LEU 101 HG LEU 101 4.080 -4.881 -11.312 753 HD11 LEU 101 1HD1 LEU 101 2.117 -3.481 -12.953 754 HD12 LEU 101 2HD1 LEU 101 2.466 -5.204 -12.820 755 HD13 LEU 101 3HD1 LEU 101 3.440 -4.187 -13.882 756 HD21 LEU 101 1HD2 LEU 101 5.637 -2.784 -11.540 757 HD22 LEU 101 2HD2 LEU 101 4.958 -2.719 -13.167 758 HD23 LEU 101 3HD2 LEU 101 5.818 -4.162 -12.626 759 H VAL 102 H VAL 102 1.241 -5.924 -9.438 760 HA VAL 102 HA VAL 102 3.276 -6.489 -7.389 761 HB VAL 102 HB VAL 102 1.785 -8.159 -6.488 762 HG11 VAL 102 1HG1 VAL 102 0.922 -6.481 -5.317 763 HG12 VAL 102 2HG1 VAL 102 1.132 -5.373 -6.674 764 HG13 VAL 102 3HG1 VAL 102 -0.344 -6.330 -6.535 765 HG21 VAL 102 1HG2 VAL 102 -0.128 -8.936 -7.474 766 HG22 VAL 102 2HG2 VAL 102 -0.415 -7.437 -8.358 767 HG23 VAL 102 3HG2 VAL 102 0.824 -8.564 -8.912 768 H ARG 103 H ARG 103 4.354 -8.489 -7.378 769 HA ARG 103 HA ARG 103 4.674 -9.648 -10.032 770 HB2 ARG 103 1HB ARG 103 6.285 -9.595 -7.526 771 HB3 ARG 103 2HB ARG 103 6.509 -10.957 -8.615 772 HG2 ARG 103 1HG ARG 103 7.073 -9.437 -10.429 773 HG3 ARG 103 2HG ARG 103 6.811 -8.056 -9.361 774 HD2 ARG 103 1HD ARG 103 9.180 -8.542 -9.538 775 HD3 ARG 103 2HD ARG 103 8.612 -8.865 -7.900 776 HE ARG 103 HE ARG 103 8.496 -11.231 -9.422 777 HH11 ARG 103 2HH1 ARG 103 10.797 -9.070 -7.953 778 HH12 ARG 103 1HH1 ARG 103 11.998 -10.297 -7.721 779 HH21 ARG 103 2HH2 ARG 103 10.069 -12.855 -9.122 780 HH22 ARG 103 1HH2 ARG 103 11.583 -12.449 -8.387 781 HA PRO 104 HA PRO 104 2.166 -13.160 -9.083 782 HB2 PRO 104 1HB PRO 104 2.994 -14.756 -11.117 783 HB3 PRO 104 2HB PRO 104 1.907 -13.383 -11.355 784 HG2 PRO 104 1HG PRO 104 4.860 -13.561 -11.808 785 HG3 PRO 104 2HG PRO 104 3.617 -12.805 -12.821 786 HD2 PRO 104 1HD PRO 104 5.213 -11.376 -11.165 787 HD3 PRO 104 2HD PRO 104 3.542 -10.899 -11.527 788 H ASN 105 H ASN 105 2.363 -15.015 -7.927 789 HA ASN 105 HA ASN 105 5.095 -16.021 -7.468 790 HB2 ASN 105 1HB ASN 105 4.132 -14.958 -5.476 791 HB3 ASN 105 2HB ASN 105 2.737 -16.030 -5.570 792 HD21 ASN 105 1HD2 ASN 105 3.590 -16.343 -3.295 793 HD22 ASN 105 2HD2 ASN 105 4.709 -17.639 -3.069 794 H ALA 106 H ALA 106 4.911 -17.510 -9.203 795 HA ALA 106 HA ALA 106 2.883 -19.602 -8.947 796 HB1 ALA 106 1HB ALA 106 3.053 -18.823 -11.161 797 HB2 ALA 106 2HB ALA 106 4.816 -18.883 -11.132 798 HB3 ALA 106 3HB ALA 106 3.883 -20.380 -11.147 799 H VAL 107 H VAL 107 3.548 -20.887 -7.273 800 HA VAL 107 HA VAL 107 6.214 -21.688 -6.803 801 HB VAL 107 HB VAL 107 5.227 -23.436 -5.342 802 HG11 VAL 107 1HG1 VAL 107 5.435 -20.845 -4.852 803 HG12 VAL 107 2HG1 VAL 107 3.678 -20.972 -4.740 804 HG13 VAL 107 3HG1 VAL 107 4.704 -21.951 -3.690 805 HG21 VAL 107 1HG2 VAL 107 2.683 -23.206 -5.031 806 HG22 VAL 107 2HG2 VAL 107 2.697 -22.485 -6.640 807 HG23 VAL 107 3HG2 VAL 107 3.274 -24.135 -6.409 808 H TYR 108 H TYR 108 7.072 -23.877 -6.956 809 HA TYR 108 HA TYR 108 6.428 -25.052 -9.540 810 HB2 TYR 108 1HB TYR 108 8.724 -25.340 -7.621 811 HB3 TYR 108 2HB TYR 108 8.496 -26.488 -8.936 812 HD1 TYR 108 1HD TYR 108 7.844 -25.067 -11.249 813 HD2 TYR 108 2HD TYR 108 10.363 -23.791 -8.066 814 HE1 TYR 108 1HE TYR 108 9.005 -23.539 -12.788 815 HE2 TYR 108 2HE TYR 108 11.530 -22.259 -9.596 816 HH TYR 108 HH TYR 108 10.344 -21.472 -12.668 817 H ASP 109 H ASP 109 4.355 -25.528 -7.928 818 HA ASP 109 HA ASP 109 4.604 -28.401 -7.368 819 HB2 ASP 109 1HB ASP 109 3.230 -26.361 -5.607 820 HB3 ASP 109 2HB ASP 109 3.099 -28.106 -5.402 821 H VAL 110 H VAL 110 2.629 -29.596 -7.545 822 HA VAL 110 HA VAL 110 0.915 -28.566 -9.626 823 HB VAL 110 HB VAL 110 0.831 -31.214 -8.174 824 HG11 VAL 110 1HG1 VAL 110 -0.765 -30.073 -10.424 825 HG12 VAL 110 2HG1 VAL 110 -0.433 -31.805 -10.378 826 HG13 VAL 110 3HG1 VAL 110 -1.296 -31.036 -9.045 827 HG21 VAL 110 1HG2 VAL 110 1.685 -31.017 -10.995 828 HG22 VAL 110 2HG2 VAL 110 2.811 -30.396 -9.789 829 HG23 VAL 110 3HG2 VAL 110 2.264 -32.070 -9.704 830 H VAL 111 H VAL 111 -1.267 -28.141 -9.494 831 HA VAL 111 HA VAL 111 -2.396 -28.019 -6.772 832 HB VAL 111 HB VAL 111 -2.865 -26.099 -9.058 833 HG11 VAL 111 1HG1 VAL 111 -4.683 -26.788 -7.144 834 HG12 VAL 111 2HG1 VAL 111 -3.876 -25.406 -6.399 835 HG13 VAL 111 3HG1 VAL 111 -4.634 -25.238 -7.983 836 HG21 VAL 111 1HG2 VAL 111 -1.442 -25.791 -6.418 837 HG22 VAL 111 2HG2 VAL 111 -0.732 -25.699 -8.030 838 HG23 VAL 111 3HG2 VAL 111 -1.854 -24.451 -7.488 839 H GLU 112 H GLU 112 -3.849 -29.602 -6.607 840 HA GLU 112 HA GLU 112 -5.647 -30.096 -8.887 841 HB2 GLU 112 1HB GLU 112 -4.173 -31.994 -8.138 842 HB3 GLU 112 2HB GLU 112 -5.042 -31.985 -6.610 843 HG2 GLU 112 1HG GLU 112 -6.507 -32.270 -9.201 844 HG3 GLU 112 2HG GLU 112 -5.738 -33.659 -8.434 845 H GLU 113 H GLU 113 -7.627 -29.322 -8.644 846 HA GLU 113 HA GLU 113 -9.208 -29.811 -6.344 847 HB2 GLU 113 1HB GLU 113 -7.729 -27.927 -5.545 848 HB3 GLU 113 2HB GLU 113 -8.484 -26.911 -6.765 849 HG2 GLU 113 1HG GLU 113 -10.204 -28.364 -4.818 850 HG3 GLU 113 2HG GLU 113 -9.349 -26.911 -4.304 851 H SER 114 H SER 114 -10.960 -30.384 -7.463 852 HA SER 114 HA SER 114 -11.863 -28.651 -9.660 853 HB2 SER 114 1HB SER 114 -13.160 -30.577 -10.444 854 HB3 SER 114 2HB SER 114 -11.462 -31.013 -10.256 855 HG SER 114 HG SER 114 -13.154 -31.417 -8.076 856 H GLY 115 H GLY 115 -14.096 -28.112 -9.835 857 HA2 GLY 115 1HA GLY 115 -15.921 -28.710 -7.697 858 HA3 GLY 115 2HA GLY 115 -15.299 -27.068 -7.615 859 HA PRO 116 HA PRO 116 -17.876 -27.510 -11.713 860 HB2 PRO 116 1HB PRO 116 -19.604 -29.603 -11.758 861 HB3 PRO 116 2HB PRO 116 -17.957 -29.704 -12.391 862 HG2 PRO 116 1HG PRO 116 -19.029 -30.617 -9.750 863 HG3 PRO 116 2HG PRO 116 -17.903 -31.440 -10.845 864 HD2 PRO 116 1HD PRO 116 -17.076 -30.102 -8.641 865 HD3 PRO 116 2HD PRO 116 -16.097 -30.205 -10.119 866 H SER 117 H SER 117 -19.580 -26.176 -11.786 867 HA SER 117 HA SER 117 -20.929 -25.164 -9.685 868 HB2 SER 117 1HB SER 117 -22.771 -24.561 -11.278 869 HB3 SER 117 2HB SER 117 -21.157 -24.175 -11.874 870 HG SER 117 HG SER 117 -22.305 -25.191 -13.505 871 H SER 118 H SER 118 -21.857 -26.282 -8.090 872 HA SER 118 HA SER 118 -22.857 -28.757 -7.949 873 HB2 SER 118 1HB SER 118 -23.983 -26.259 -6.681 874 HB3 SER 118 2HB SER 118 -24.550 -27.876 -6.264 875 HG SER 118 HG SER 118 -22.082 -28.191 -6.008 876 H GLY 119 H GLY 119 -24.677 -29.902 -8.474 877 HA2 GLY 119 1HA GLY 119 -26.595 -28.513 -10.242 878 HA3 GLY 119 2HA GLY 119 -26.083 -30.177 -10.478 Start of MODEL 15 1 H1 GLY 1 H GLY 1 14.099 24.385 -20.947 2 HA2 GLY 1 1HA GLY 1 13.961 23.346 -18.732 3 HA3 GLY 1 2HA GLY 1 12.226 23.217 -18.983 4 H SER 2 H SER 2 11.788 22.040 -21.245 5 HA SER 2 HA SER 2 13.235 19.491 -21.041 6 HB2 SER 2 1HB SER 2 10.667 19.677 -20.737 7 HB3 SER 2 2HB SER 2 10.623 19.861 -22.490 8 HG SER 2 HG SER 2 10.571 17.742 -22.369 9 H SER 3 H SER 3 14.997 20.183 -22.343 10 HA SER 3 HA SER 3 14.419 20.840 -25.129 11 HB2 SER 3 1HB SER 3 16.919 21.160 -25.263 12 HB3 SER 3 2HB SER 3 16.098 22.228 -24.125 13 HG SER 3 HG SER 3 18.076 20.529 -23.641 14 H GLY 4 H GLY 4 16.250 18.439 -23.248 15 HA2 GLY 4 1HA GLY 4 15.693 16.439 -25.280 16 HA3 GLY 4 2HA GLY 4 17.389 16.854 -25.084 17 H SER 5 H SER 5 15.000 14.771 -24.127 18 HA SER 5 HA SER 5 16.530 14.009 -21.728 19 HB2 SER 5 1HB SER 5 14.533 13.456 -20.550 20 HB3 SER 5 2HB SER 5 14.267 15.059 -21.236 21 HG SER 5 HG SER 5 12.562 13.351 -21.490 22 H SER 6 H SER 6 17.003 11.878 -21.494 23 HA SER 6 HA SER 6 15.914 10.023 -23.506 24 HB2 SER 6 1HB SER 6 18.770 10.088 -22.501 25 HB3 SER 6 2HB SER 6 18.107 8.955 -23.679 26 HG SER 6 HG SER 6 18.866 10.439 -25.000 27 H GLY 7 H GLY 7 15.802 7.806 -22.877 28 HA2 GLY 7 1HA GLY 7 16.531 6.845 -20.330 29 HA3 GLY 7 2HA GLY 7 14.858 7.383 -20.275 30 H ASN 8 H ASN 8 17.098 5.141 -21.806 31 HA ASN 8 HA ASN 8 14.901 3.254 -22.148 32 HB2 ASN 8 1HB ASN 8 16.800 3.681 -24.441 33 HB3 ASN 8 2HB ASN 8 15.241 2.862 -24.439 34 HD21 ASN 8 1HD2 ASN 8 13.667 3.940 -25.358 35 HD22 ASN 8 2HD2 ASN 8 13.540 5.659 -25.482 36 H GLY 9 H GLY 9 15.598 1.056 -22.402 37 HA2 GLY 9 1HA GLY 9 18.306 0.264 -22.426 38 HA3 GLY 9 2HA GLY 9 17.746 0.338 -20.762 39 H GLY 10 H GLY 10 16.447 -0.839 -23.875 40 HA2 GLY 10 1HA GLY 10 15.173 -2.722 -24.306 41 HA3 GLY 10 2HA GLY 10 16.524 -3.518 -23.511 42 H ILE 11 H ILE 11 13.455 -1.868 -22.819 43 HA ILE 11 HA ILE 11 13.125 -2.602 -20.179 44 HB ILE 11 HB ILE 11 10.578 -2.722 -20.928 45 HG12 ILE 11 1HG1 ILE 11 11.587 -0.941 -23.102 46 HG13 ILE 11 2HG1 ILE 11 11.573 -2.678 -23.387 47 HG21 ILE 11 1HG2 ILE 11 12.391 -0.677 -20.118 48 HG22 ILE 11 2HG2 ILE 11 11.221 0.008 -21.244 49 HG23 ILE 11 3HG2 ILE 11 10.665 -0.820 -19.790 50 HD11 ILE 11 1HD1 ILE 11 9.540 -1.219 -24.077 51 HD12 ILE 11 2HD1 ILE 11 9.281 -2.799 -23.338 52 HD13 ILE 11 3HD1 ILE 11 9.116 -1.335 -22.369 53 HA PRO 12 HA PRO 12 12.622 -6.974 -20.153 54 HB2 PRO 12 1HB PRO 12 11.182 -7.237 -17.866 55 HB3 PRO 12 2HB PRO 12 12.906 -6.844 -17.876 56 HG2 PRO 12 1HG PRO 12 10.549 -5.025 -17.556 57 HG3 PRO 12 2HG PRO 12 12.084 -5.035 -16.667 58 HD2 PRO 12 1HD PRO 12 11.577 -3.295 -18.679 59 HD3 PRO 12 2HD PRO 12 13.205 -3.916 -18.341 60 H HIS 13 H HIS 13 11.178 -8.512 -20.804 61 HA HIS 13 HA HIS 13 8.524 -7.555 -21.571 62 HB2 HIS 13 1HB HIS 13 8.456 -9.723 -22.874 63 HB3 HIS 13 2HB HIS 13 9.697 -8.578 -23.376 64 HD1 HIS 13 1HD HIS 13 11.616 -9.956 -24.112 65 HD2 HIS 13 2HD HIS 13 9.950 -11.380 -20.582 66 HE1 HIS 13 1HE HIS 13 13.097 -11.854 -23.386 67 HE2 HIS 13 2HE HIS 13 12.022 -12.754 -21.295 68 H ASP 14 H ASP 14 9.306 -8.309 -18.794 69 HA ASP 14 HA ASP 14 8.206 -10.787 -18.075 70 HB2 ASP 14 1HB ASP 14 8.607 -8.219 -16.549 71 HB3 ASP 14 2HB ASP 14 7.910 -9.651 -15.795 72 H ASN 15 H ASN 15 6.182 -11.499 -18.015 73 HA ASN 15 HA ASN 15 4.009 -9.681 -18.609 74 HB2 ASN 15 1HB ASN 15 4.141 -12.681 -18.271 75 HB3 ASN 15 2HB ASN 15 2.643 -11.813 -18.596 76 HD21 ASN 15 1HD2 ASN 15 2.175 -12.463 -20.601 77 HD22 ASN 15 2HD2 ASN 15 3.202 -12.252 -21.974 78 H LEU 16 H LEU 16 4.816 -8.795 -16.298 79 HA LEU 16 HA LEU 16 3.851 -10.080 -13.981 80 HB2 LEU 16 1HB LEU 16 4.702 -7.309 -14.667 81 HB3 LEU 16 2HB LEU 16 3.861 -7.587 -13.143 82 HG LEU 16 HG LEU 16 6.362 -9.073 -13.918 83 HD11 LEU 16 1HD1 LEU 16 7.220 -7.348 -12.058 84 HD12 LEU 16 2HD1 LEU 16 6.014 -6.339 -12.857 85 HD13 LEU 16 3HD1 LEU 16 7.336 -7.039 -13.791 86 HD21 LEU 16 1HD2 LEU 16 6.246 -8.877 -11.198 87 HD22 LEU 16 2HD2 LEU 16 5.700 -10.263 -12.141 88 HD23 LEU 16 3HD2 LEU 16 4.543 -9.034 -11.628 89 H VAL 17 H VAL 17 2.032 -9.550 -12.670 90 HA VAL 17 HA VAL 17 -0.351 -9.043 -14.227 91 HB VAL 17 HB VAL 17 -0.184 -10.812 -12.425 92 HG11 VAL 17 1HG1 VAL 17 -0.580 -10.076 -10.113 93 HG12 VAL 17 2HG1 VAL 17 0.969 -9.503 -10.736 94 HG13 VAL 17 3HG1 VAL 17 -0.402 -8.399 -10.628 95 HG21 VAL 17 1HG2 VAL 17 -2.309 -9.800 -13.416 96 HG22 VAL 17 2HG2 VAL 17 -2.461 -10.650 -11.878 97 HG23 VAL 17 3HG2 VAL 17 -2.432 -8.887 -11.912 98 H LEU 18 H LEU 18 -1.970 -7.484 -13.621 99 HA LEU 18 HA LEU 18 -0.879 -5.134 -12.221 100 HB2 LEU 18 1HB LEU 18 -0.866 -4.568 -14.515 101 HB3 LEU 18 2HB LEU 18 -2.460 -5.275 -14.772 102 HG LEU 18 HG LEU 18 -3.265 -3.404 -13.157 103 HD11 LEU 18 1HD1 LEU 18 -1.491 -2.276 -12.331 104 HD12 LEU 18 2HD1 LEU 18 -1.673 -1.358 -13.825 105 HD13 LEU 18 3HD1 LEU 18 -0.469 -2.642 -13.722 106 HD21 LEU 18 1HD2 LEU 18 -3.058 -3.653 -15.937 107 HD22 LEU 18 2HD2 LEU 18 -2.580 -1.995 -15.567 108 HD23 LEU 18 3HD2 LEU 18 -4.147 -2.603 -15.030 109 H ILE 19 H ILE 19 -2.040 -4.529 -10.525 110 HA ILE 19 HA ILE 19 -4.708 -5.642 -10.151 111 HB ILE 19 HB ILE 19 -2.894 -4.126 -8.275 112 HG12 ILE 19 1HG1 ILE 19 -2.540 -6.632 -8.988 113 HG13 ILE 19 2HG1 ILE 19 -2.378 -6.160 -7.300 114 HG21 ILE 19 1HG2 ILE 19 -5.755 -4.789 -8.099 115 HG22 ILE 19 2HG2 ILE 19 -4.794 -5.187 -6.675 116 HG23 ILE 19 3HG2 ILE 19 -4.827 -3.532 -7.283 117 HD11 ILE 19 1HD1 ILE 19 -3.803 -8.256 -8.070 118 HD12 ILE 19 2HD1 ILE 19 -4.241 -7.278 -6.669 119 HD13 ILE 19 3HD1 ILE 19 -5.055 -7.023 -8.213 120 H ARG 20 H ARG 20 -6.231 -4.496 -11.195 121 HA ARG 20 HA ARG 20 -6.176 -1.566 -10.978 122 HB2 ARG 20 1HB ARG 20 -6.388 -2.939 -13.229 123 HB3 ARG 20 2HB ARG 20 -8.084 -3.002 -12.770 124 HG2 ARG 20 1HG ARG 20 -8.319 -0.673 -12.889 125 HG3 ARG 20 2HG ARG 20 -6.573 -0.415 -12.894 126 HD2 ARG 20 1HD ARG 20 -7.245 -0.070 -15.117 127 HD3 ARG 20 2HD ARG 20 -6.552 -1.691 -15.095 128 HE ARG 20 HE ARG 20 -8.626 -2.559 -15.570 129 HH11 ARG 20 2HH1 ARG 20 -8.934 0.793 -14.680 130 HH12 ARG 20 1HH1 ARG 20 -10.597 0.901 -15.153 131 HH21 ARG 20 2HH2 ARG 20 -10.815 -2.429 -16.197 132 HH22 ARG 20 1HH2 ARG 20 -11.666 -0.933 -16.015 133 H MET 21 H MET 21 -7.464 -0.662 -9.526 134 HA MET 21 HA MET 21 -10.114 -1.789 -9.045 135 HB2 MET 21 1HB MET 21 -9.888 -1.845 -6.673 136 HB3 MET 21 2HB MET 21 -8.521 -2.729 -7.338 137 HG2 MET 21 1HG MET 21 -7.084 -0.798 -6.993 138 HG3 MET 21 2HG MET 21 -8.452 0.116 -6.362 139 HE1 MET 21 1HE MET 21 -5.660 -1.882 -6.006 140 HE2 MET 21 2HE MET 21 -5.349 -1.507 -4.311 141 HE3 MET 21 3HE MET 21 -5.922 -3.111 -4.768 142 H LYS 22 H LYS 22 -11.282 -0.253 -7.378 143 HA LYS 22 HA LYS 22 -10.594 2.534 -8.029 144 HB2 LYS 22 1HB LYS 22 -12.972 3.042 -8.307 145 HB3 LYS 22 2HB LYS 22 -12.449 1.821 -9.459 146 HG2 LYS 22 1HG LYS 22 -13.598 0.121 -8.371 147 HG3 LYS 22 2HG LYS 22 -13.719 1.035 -6.866 148 HD2 LYS 22 1HD LYS 22 -15.859 1.251 -7.676 149 HD3 LYS 22 2HD LYS 22 -15.104 2.697 -8.350 150 HE2 LYS 22 1HE LYS 22 -14.744 1.534 -10.463 151 HE3 LYS 22 2HE LYS 22 -15.460 0.070 -9.791 152 HZ1 LYS 22 1HZ LYS 22 -17.454 0.809 -10.349 153 HZ2 LYS 22 2HZ LYS 22 -16.760 2.180 -11.056 154 HZ3 LYS 22 3HZ LYS 22 -17.241 2.216 -9.434 155 HA PRO 23 HA PRO 23 -10.950 3.268 -3.706 156 HB2 PRO 23 1HB PRO 23 -11.484 5.930 -3.745 157 HB3 PRO 23 2HB PRO 23 -9.886 5.265 -4.105 158 HG2 PRO 23 1HG PRO 23 -12.026 6.179 -5.989 159 HG3 PRO 23 2HG PRO 23 -10.277 6.463 -6.060 160 HD2 PRO 23 1HD PRO 23 -11.506 4.568 -7.553 161 HD3 PRO 23 2HD PRO 23 -9.847 4.380 -6.949 162 H ASP 24 H ASP 24 -12.462 3.734 -2.060 163 HA ASP 24 HA ASP 24 -15.223 3.395 -2.889 164 HB2 ASP 24 1HB ASP 24 -15.652 2.632 -0.755 165 HB3 ASP 24 2HB ASP 24 -13.947 2.219 -0.907 166 H GLU 25 H GLU 25 -16.812 4.623 -1.257 167 HA GLU 25 HA GLU 25 -17.084 7.197 -2.082 168 HB2 GLU 25 1HB GLU 25 -18.694 5.799 -0.683 169 HB3 GLU 25 2HB GLU 25 -17.807 6.368 0.724 170 HG2 GLU 25 1HG GLU 25 -18.289 8.723 -0.201 171 HG3 GLU 25 2HG GLU 25 -19.514 7.917 -1.179 172 H ASN 26 H ASN 26 -15.751 6.347 1.119 173 HA ASN 26 HA ASN 26 -14.786 8.952 1.646 174 HB2 ASN 26 1HB ASN 26 -15.240 6.907 3.245 175 HB3 ASN 26 2HB ASN 26 -13.546 6.548 2.925 176 HD21 ASN 26 1HD2 ASN 26 -12.075 7.526 4.126 177 HD22 ASN 26 2HD2 ASN 26 -12.352 8.896 5.142 178 H GLY 27 H GLY 27 -13.474 6.241 -0.074 179 HA2 GLY 27 1HA GLY 27 -11.724 6.540 -1.672 180 HA3 GLY 27 2HA GLY 27 -11.093 7.852 -0.687 181 H ARG 28 H ARG 28 -11.911 5.444 1.399 182 HA ARG 28 HA ARG 28 -9.144 4.698 1.772 183 HB2 ARG 28 1HB ARG 28 -9.858 3.680 3.816 184 HB3 ARG 28 2HB ARG 28 -10.704 5.214 3.666 185 HG2 ARG 28 1HG ARG 28 -12.738 4.179 3.166 186 HG3 ARG 28 2HG ARG 28 -11.960 2.642 2.783 187 HD2 ARG 28 1HD ARG 28 -11.909 3.870 5.530 188 HD3 ARG 28 2HD ARG 28 -13.172 2.759 5.000 189 HE ARG 28 HE ARG 28 -10.499 1.752 4.644 190 HH11 ARG 28 2HH1 ARG 28 -13.192 2.052 6.831 191 HH12 ARG 28 1HH1 ARG 28 -12.740 0.677 7.783 192 HH21 ARG 28 2HH2 ARG 28 -9.894 -0.060 5.890 193 HH22 ARG 28 1HH2 ARG 28 -10.864 -0.523 7.247 194 H PHE 29 H PHE 29 -8.240 2.707 1.467 195 HA PHE 29 HA PHE 29 -9.786 0.847 -0.182 196 HB2 PHE 29 1HB PHE 29 -6.813 1.064 0.327 197 HB3 PHE 29 2HB PHE 29 -7.560 -0.162 -0.692 198 HD1 PHE 29 2HD PHE 29 -7.077 3.490 -0.312 199 HD2 PHE 29 1HD PHE 29 -8.069 0.283 -2.929 200 HE1 PHE 29 2HE PHE 29 -6.964 5.026 -2.231 201 HE2 PHE 29 1HE PHE 29 -7.957 1.814 -4.853 202 HZ PHE 29 HZ PHE 29 -7.405 4.189 -4.505 203 H GLY 30 H GLY 30 -9.149 -1.535 0.142 204 HA2 GLY 30 1HA GLY 30 -9.195 -2.098 3.043 205 HA3 GLY 30 2HA GLY 30 -10.080 -3.039 1.852 206 H PHE 31 H PHE 31 -6.732 -1.980 2.476 207 HA PHE 31 HA PHE 31 -5.768 -4.661 2.572 208 HB2 PHE 31 1HB PHE 31 -4.630 -4.862 0.550 209 HB3 PHE 31 2HB PHE 31 -6.138 -4.099 0.057 210 HD1 PHE 31 1HD PHE 31 -2.569 -3.495 0.758 211 HD2 PHE 31 2HD PHE 31 -6.163 -1.946 -0.914 212 HE1 PHE 31 1HE PHE 31 -1.295 -1.659 -0.272 213 HE2 PHE 31 2HE PHE 31 -4.895 -0.109 -1.948 214 HZ PHE 31 HZ PHE 31 -2.458 0.036 -1.628 215 H ASN 32 H ASN 32 -3.888 -4.742 3.667 216 HA ASN 32 HA ASN 32 -2.529 -2.182 4.185 217 HB2 ASN 32 1HB ASN 32 -3.687 -3.575 6.079 218 HB3 ASN 32 2HB ASN 32 -2.238 -4.570 5.974 219 HD21 ASN 32 1HD2 ASN 32 -1.121 -4.080 7.736 220 HD22 ASN 32 2HD2 ASN 32 -0.662 -2.486 8.221 221 H VAL 33 H VAL 33 -0.200 -2.280 4.547 222 HA VAL 33 HA VAL 33 1.126 -4.563 3.260 223 HB VAL 33 HB VAL 33 2.719 -2.756 2.263 224 HG11 VAL 33 1HG1 VAL 33 1.776 -3.188 0.249 225 HG12 VAL 33 2HG1 VAL 33 0.834 -4.336 1.203 226 HG13 VAL 33 3HG1 VAL 33 0.154 -2.761 0.794 227 HG21 VAL 33 1HG2 VAL 33 0.324 -1.065 1.948 228 HG22 VAL 33 2HG2 VAL 33 1.091 -1.027 3.536 229 HG23 VAL 33 3HG2 VAL 33 2.022 -0.613 2.096 230 H LYS 34 H LYS 34 3.470 -4.625 3.677 231 HA LYS 34 HA LYS 34 4.333 -3.125 6.036 232 HB2 LYS 34 1HB LYS 34 5.063 -5.095 7.208 233 HB3 LYS 34 2HB LYS 34 3.361 -5.286 6.809 234 HG2 LYS 34 1HG LYS 34 4.340 -6.511 4.695 235 HG3 LYS 34 2HG LYS 34 5.734 -6.730 5.755 236 HD2 LYS 34 1HD LYS 34 4.396 -7.862 7.388 237 HD3 LYS 34 2HD LYS 34 2.912 -7.472 6.516 238 HE2 LYS 34 1HE LYS 34 3.917 -8.785 4.572 239 HE3 LYS 34 2HE LYS 34 5.095 -9.385 5.738 240 HZ1 LYS 34 1HZ LYS 34 3.136 -10.114 7.102 241 HZ2 LYS 34 2HZ LYS 34 3.365 -10.960 5.655 242 HZ3 LYS 34 3HZ LYS 34 2.159 -9.779 5.762 243 H GLY 35 H GLY 35 6.509 -2.709 6.117 244 HA2 GLY 35 1HA GLY 35 8.785 -3.393 5.490 245 HA3 GLY 35 2HA GLY 35 8.132 -3.834 3.919 246 H GLY 36 H GLY 36 10.254 -2.270 3.812 247 HA2 GLY 36 1HA GLY 36 9.608 -0.123 2.268 248 HA3 GLY 36 2HA GLY 36 9.590 0.531 3.899 249 H TYR 37 H TYR 37 11.319 1.871 2.793 250 HA TYR 37 HA TYR 37 13.854 0.651 2.288 251 HB2 TYR 37 1HB TYR 37 13.517 2.641 1.104 252 HB3 TYR 37 2HB TYR 37 12.885 3.485 2.513 253 HD1 TYR 37 1HD TYR 37 14.488 4.128 4.357 254 HD2 TYR 37 2HD TYR 37 15.809 2.733 0.561 255 HE1 TYR 37 1HE TYR 37 16.712 5.087 4.785 256 HE2 TYR 37 2HE TYR 37 18.037 3.686 0.979 257 HH TYR 37 HH TYR 37 19.379 4.632 2.503 258 H ASP 38 H ASP 38 12.225 1.751 5.093 259 HA ASP 38 HA ASP 38 14.539 2.297 6.684 260 HB2 ASP 38 1HB ASP 38 12.612 3.370 7.458 261 HB3 ASP 38 2HB ASP 38 11.616 1.930 7.264 262 H GLN 39 H GLN 39 12.561 -0.519 6.028 263 HA GLN 39 HA GLN 39 14.208 -2.094 7.889 264 HB2 GLN 39 1HB GLN 39 11.416 -2.413 6.856 265 HB3 GLN 39 2HB GLN 39 12.312 -3.834 7.377 266 HG2 GLN 39 1HG GLN 39 12.012 -1.427 9.136 267 HG3 GLN 39 2HG GLN 39 10.789 -2.695 9.071 268 HE21 GLN 39 1HE2 GLN 39 13.879 -1.770 10.225 269 HE22 GLN 39 2HE2 GLN 39 14.222 -3.204 11.125 270 H LYS 40 H LYS 40 14.656 -1.194 4.981 271 HA LYS 40 HA LYS 40 15.262 -2.115 2.948 272 HB2 LYS 40 1HB LYS 40 16.867 -3.479 5.087 273 HB3 LYS 40 2HB LYS 40 17.134 -3.867 3.392 274 HG2 LYS 40 1HG LYS 40 18.719 -2.232 3.860 275 HG3 LYS 40 2HG LYS 40 17.422 -1.349 3.051 276 HD2 LYS 40 1HD LYS 40 16.778 -0.267 4.967 277 HD3 LYS 40 2HD LYS 40 17.350 -1.564 6.020 278 HE2 LYS 40 1HE LYS 40 19.593 -0.873 5.821 279 HE3 LYS 40 2HE LYS 40 19.236 0.161 4.439 280 HZ1 LYS 40 1HZ LYS 40 17.680 0.959 6.651 281 HZ2 LYS 40 2HZ LYS 40 18.846 1.843 5.802 282 HZ3 LYS 40 3HZ LYS 40 19.305 0.881 7.116 283 H MET 41 H MET 41 12.833 -3.139 3.402 284 HA MET 41 HA MET 41 13.117 -5.892 2.442 285 HB2 MET 41 1HB MET 41 11.483 -6.769 3.902 286 HB3 MET 41 2HB MET 41 12.556 -5.822 4.924 287 HG2 MET 41 1HG MET 41 10.992 -4.125 5.207 288 HG3 MET 41 2HG MET 41 10.047 -4.635 3.810 289 HE1 MET 41 1HE MET 41 8.577 -7.955 4.906 290 HE2 MET 41 2HE MET 41 7.704 -6.524 4.359 291 HE3 MET 41 3HE MET 41 9.237 -6.965 3.604 292 HA PRO 42 HA PRO 42 10.187 -4.699 -0.603 293 HB2 PRO 42 1HB PRO 42 8.975 -7.075 -1.107 294 HB3 PRO 42 2HB PRO 42 10.623 -6.707 -1.630 295 HG2 PRO 42 1HG PRO 42 9.695 -8.273 0.747 296 HG3 PRO 42 2HG PRO 42 11.013 -8.632 -0.384 297 HD2 PRO 42 1HD PRO 42 11.444 -7.549 2.060 298 HD3 PRO 42 2HD PRO 42 12.470 -7.182 0.659 299 H VAL 43 H VAL 43 8.036 -4.147 -0.891 300 HA VAL 43 HA VAL 43 6.406 -4.196 1.500 301 HB VAL 43 HB VAL 43 5.757 -2.999 -1.196 302 HG11 VAL 43 1HG1 VAL 43 3.978 -1.909 -0.198 303 HG12 VAL 43 2HG1 VAL 43 3.934 -3.488 0.589 304 HG13 VAL 43 3HG1 VAL 43 4.636 -2.102 1.427 305 HG21 VAL 43 1HG2 VAL 43 6.337 -0.897 0.419 306 HG22 VAL 43 2HG2 VAL 43 7.499 -2.094 0.990 307 HG23 VAL 43 3HG2 VAL 43 7.476 -1.630 -0.711 308 H ILE 44 H ILE 44 5.069 -5.813 1.929 309 HA ILE 44 HA ILE 44 3.667 -7.114 -0.309 310 HB ILE 44 HB ILE 44 4.735 -8.505 2.151 311 HG12 ILE 44 1HG1 ILE 44 6.028 -9.778 0.302 312 HG13 ILE 44 2HG1 ILE 44 5.651 -8.391 -0.713 313 HG21 ILE 44 1HG2 ILE 44 2.798 -9.270 0.070 314 HG22 ILE 44 2HG2 ILE 44 4.025 -10.477 0.453 315 HG23 ILE 44 3HG2 ILE 44 2.977 -9.850 1.726 316 HD11 ILE 44 1HD1 ILE 44 7.403 -7.335 0.114 317 HD12 ILE 44 2HD1 ILE 44 6.685 -7.405 1.724 318 HD13 ILE 44 3HD1 ILE 44 7.744 -8.703 1.173 319 H VAL 45 H VAL 45 1.548 -7.764 0.070 320 HA VAL 45 HA VAL 45 0.019 -6.184 1.799 321 HB VAL 45 HB VAL 45 -0.698 -8.793 0.456 322 HG11 VAL 45 1HG1 VAL 45 -2.522 -6.750 1.721 323 HG12 VAL 45 2HG1 VAL 45 -3.022 -8.204 0.855 324 HG13 VAL 45 3HG1 VAL 45 -2.152 -8.341 2.384 325 HG21 VAL 45 1HG2 VAL 45 -1.630 -6.075 -0.376 326 HG22 VAL 45 2HG2 VAL 45 -0.045 -6.663 -0.879 327 HG23 VAL 45 3HG2 VAL 45 -1.499 -7.553 -1.329 328 H SER 46 H SER 46 -0.527 -6.359 3.877 329 HA SER 46 HA SER 46 0.450 -8.653 5.382 330 HB2 SER 46 1HB SER 46 0.717 -6.140 6.030 331 HB3 SER 46 2HB SER 46 -0.940 -6.293 6.616 332 HG SER 46 HG SER 46 1.091 -6.844 8.004 333 H ARG 47 H ARG 47 -2.575 -6.756 5.338 334 HA ARG 47 HA ARG 47 -4.085 -9.255 5.555 335 HB2 ARG 47 1HB ARG 47 -3.640 -8.031 7.830 336 HB3 ARG 47 2HB ARG 47 -4.893 -6.934 7.266 337 HG2 ARG 47 1HG ARG 47 -6.032 -8.487 8.571 338 HG3 ARG 47 2HG ARG 47 -6.316 -9.027 6.915 339 HD2 ARG 47 1HD ARG 47 -4.537 -10.680 7.139 340 HD3 ARG 47 2HD ARG 47 -4.215 -10.123 8.781 341 HE ARG 47 HE ARG 47 -6.273 -11.913 7.953 342 HH11 ARG 47 2HH1 ARG 47 -5.479 -9.440 10.272 343 HH12 ARG 47 1HH1 ARG 47 -6.578 -10.031 11.473 344 HH21 ARG 47 2HH2 ARG 47 -7.724 -12.701 9.527 345 HH22 ARG 47 1HH2 ARG 47 -7.854 -11.886 11.050 346 H VAL 48 H VAL 48 -6.266 -9.106 4.852 347 HA VAL 48 HA VAL 48 -7.035 -6.607 3.523 348 HB VAL 48 HB VAL 48 -7.257 -9.286 2.152 349 HG11 VAL 48 1HG1 VAL 48 -7.424 -6.628 0.805 350 HG12 VAL 48 2HG1 VAL 48 -8.140 -8.173 0.340 351 HG13 VAL 48 3HG1 VAL 48 -8.824 -7.249 1.678 352 HG21 VAL 48 1HG2 VAL 48 -5.342 -7.121 1.354 353 HG22 VAL 48 2HG2 VAL 48 -4.884 -8.362 2.520 354 HG23 VAL 48 3HG2 VAL 48 -5.355 -8.821 0.884 355 H ALA 49 H ALA 49 -8.922 -6.062 4.381 356 HA ALA 49 HA ALA 49 -10.680 -8.015 5.560 357 HB1 ALA 49 1HB ALA 49 -10.244 -5.247 5.844 358 HB2 ALA 49 2HB ALA 49 -11.917 -5.449 5.324 359 HB3 ALA 49 3HB ALA 49 -11.337 -6.276 6.770 360 HA PRO 50 HA PRO 50 -13.330 -8.771 2.137 361 HB2 PRO 50 1HB PRO 50 -15.666 -9.263 3.430 362 HB3 PRO 50 2HB PRO 50 -14.311 -10.398 3.428 363 HG2 PRO 50 1HG PRO 50 -15.126 -8.425 5.527 364 HG3 PRO 50 2HG PRO 50 -14.592 -10.105 5.718 365 HD2 PRO 50 1HD PRO 50 -12.948 -7.996 6.143 366 HD3 PRO 50 2HD PRO 50 -12.363 -9.551 5.517 367 H GLY 51 H GLY 51 -15.549 -8.125 1.261 368 HA2 GLY 51 1HA GLY 51 -16.809 -6.408 0.390 369 HA3 GLY 51 2HA GLY 51 -17.027 -5.953 2.074 370 H THR 52 H THR 52 -14.133 -5.894 0.012 371 HA THR 52 HA THR 52 -14.059 -2.969 0.330 372 HB THR 52 HB THR 52 -11.526 -3.200 0.457 373 HG1 THR 52 1HG THR 52 -11.093 -5.390 1.551 374 HG21 THR 52 1HG2 THR 52 -12.452 -2.501 2.450 375 HG22 THR 52 2HG2 THR 52 -11.710 -4.023 2.943 376 HG23 THR 52 3HG2 THR 52 -13.442 -3.950 2.621 377 HA PRO 53 HA PRO 53 -13.280 -2.766 -3.987 378 HB2 PRO 53 1HB PRO 53 -11.712 -0.555 -4.136 379 HB3 PRO 53 2HB PRO 53 -13.443 -0.482 -3.788 380 HG2 PRO 53 1HG PRO 53 -11.124 -0.350 -1.899 381 HG3 PRO 53 2HG PRO 53 -12.608 0.621 -1.920 382 HD2 PRO 53 1HD PRO 53 -12.259 -1.470 -0.235 383 HD3 PRO 53 2HD PRO 53 -13.849 -1.023 -0.887 384 H ALA 54 H ALA 54 -10.969 -3.705 -1.836 385 HA ALA 54 HA ALA 54 -8.873 -3.922 -3.893 386 HB1 ALA 54 1HB ALA 54 -7.296 -3.606 -2.322 387 HB2 ALA 54 2HB ALA 54 -8.621 -2.889 -1.403 388 HB3 ALA 54 3HB ALA 54 -8.156 -4.566 -1.117 389 H ASP 55 H ASP 55 -11.258 -5.665 -2.342 390 HA ASP 55 HA ASP 55 -9.825 -8.209 -2.732 391 HB2 ASP 55 1HB ASP 55 -10.841 -7.507 -0.420 392 HB3 ASP 55 2HB ASP 55 -12.364 -8.003 -1.153 393 H LEU 56 H LEU 56 -12.501 -6.274 -3.707 394 HA LEU 56 HA LEU 56 -13.861 -8.477 -5.031 395 HB2 LEU 56 1HB LEU 56 -14.470 -5.525 -5.013 396 HB3 LEU 56 2HB LEU 56 -15.496 -6.782 -5.700 397 HG LEU 56 HG LEU 56 -14.776 -6.832 -2.793 398 HD11 LEU 56 1HD1 LEU 56 -15.909 -4.980 -2.360 399 HD12 LEU 56 2HD1 LEU 56 -17.338 -5.688 -3.110 400 HD13 LEU 56 3HD1 LEU 56 -16.213 -4.738 -4.081 401 HD21 LEU 56 1HD2 LEU 56 -16.992 -7.923 -4.506 402 HD22 LEU 56 2HD2 LEU 56 -17.100 -7.860 -2.746 403 HD23 LEU 56 3HD2 LEU 56 -15.828 -8.808 -3.519 404 H CYS 57 H CYS 57 -11.886 -5.681 -5.827 405 HA CYS 57 HA CYS 57 -12.245 -5.580 -8.576 406 HB2 CYS 57 1HB CYS 57 -9.821 -4.713 -8.575 407 HB3 CYS 57 2HB CYS 57 -11.010 -3.819 -7.635 408 HG CYS 57 HG CYS 57 -8.226 -5.306 -6.639 409 H VAL 58 H VAL 58 -11.018 -6.415 -10.329 410 HA VAL 58 HA VAL 58 -9.556 -8.901 -9.727 411 HB VAL 58 HB VAL 58 -11.623 -8.436 -11.870 412 HG11 VAL 58 1HG1 VAL 58 -11.016 -10.735 -12.664 413 HG12 VAL 58 2HG1 VAL 58 -9.806 -9.494 -12.995 414 HG13 VAL 58 3HG1 VAL 58 -9.567 -10.628 -11.665 415 HG21 VAL 58 1HG2 VAL 58 -12.569 -10.533 -10.907 416 HG22 VAL 58 2HG2 VAL 58 -11.345 -10.446 -9.640 417 HG23 VAL 58 3HG2 VAL 58 -12.554 -9.170 -9.787 418 HA PRO 59 HA PRO 59 -8.026 -10.069 -10.172 419 HB2 PRO 59 1HB PRO 59 -5.411 -9.790 -9.498 420 HB3 PRO 59 2HB PRO 59 -5.938 -10.535 -11.011 421 HG2 PRO 59 1HG PRO 59 -4.971 -7.747 -10.509 422 HG3 PRO 59 2HG PRO 59 -4.576 -8.845 -11.845 423 HD2 PRO 59 1HD PRO 59 -6.381 -6.842 -12.090 424 HD3 PRO 59 2HD PRO 59 -6.528 -8.374 -12.975 425 H ARG 60 H ARG 60 -8.076 -10.298 -7.956 426 HA ARG 60 HA ARG 60 -8.359 -7.852 -6.440 427 HB2 ARG 60 1HB ARG 60 -9.500 -9.096 -4.886 428 HB3 ARG 60 2HB ARG 60 -9.754 -10.091 -6.313 429 HG2 ARG 60 1HG ARG 60 -7.770 -11.450 -5.603 430 HG3 ARG 60 2HG ARG 60 -7.786 -10.544 -4.088 431 HD2 ARG 60 1HD ARG 60 -10.255 -11.255 -3.939 432 HD3 ARG 60 2HD ARG 60 -9.835 -12.447 -5.168 433 HE ARG 60 HE ARG 60 -9.102 -12.488 -2.387 434 HH11 ARG 60 2HH1 ARG 60 -8.297 -13.606 -5.584 435 HH12 ARG 60 1HH1 ARG 60 -7.429 -14.996 -5.021 436 HH21 ARG 60 2HH2 ARG 60 -7.962 -14.314 -1.633 437 HH22 ARG 60 1HH2 ARG 60 -7.240 -15.398 -2.774 438 H LEU 61 H LEU 61 -7.411 -7.820 -4.167 439 HA LEU 61 HA LEU 61 -4.556 -8.473 -4.371 440 HB2 LEU 61 1HB LEU 61 -5.457 -6.090 -3.976 441 HB3 LEU 61 2HB LEU 61 -5.768 -6.642 -2.332 442 HG LEU 61 HG LEU 61 -3.381 -7.101 -2.036 443 HD11 LEU 61 1HD1 LEU 61 -2.091 -5.773 -4.051 444 HD12 LEU 61 2HD1 LEU 61 -3.359 -6.641 -4.916 445 HD13 LEU 61 3HD1 LEU 61 -2.223 -7.525 -3.897 446 HD21 LEU 61 1HD2 LEU 61 -4.628 -4.599 -2.199 447 HD22 LEU 61 2HD2 LEU 61 -3.048 -4.399 -2.957 448 HD23 LEU 61 3HD2 LEU 61 -3.164 -5.015 -1.308 449 H ASN 62 H ASN 62 -3.654 -9.938 -3.071 450 HA ASN 62 HA ASN 62 -5.070 -10.721 -0.619 451 HB2 ASN 62 1HB ASN 62 -4.246 -13.112 -1.184 452 HB3 ASN 62 2HB ASN 62 -5.672 -12.499 -2.016 453 HD21 ASN 62 1HD2 ASN 62 -5.423 -11.716 -4.177 454 HD22 ASN 62 2HD2 ASN 62 -4.158 -12.332 -5.180 455 H GLU 63 H GLU 63 -3.720 -11.726 0.994 456 HA GLU 63 HA GLU 63 -1.345 -10.409 1.495 457 HB2 GLU 63 1HB GLU 63 -2.085 -13.165 2.492 458 HB3 GLU 63 2HB GLU 63 -0.938 -12.059 3.236 459 HG2 GLU 63 1HG GLU 63 -2.767 -11.700 4.544 460 HG3 GLU 63 2HG GLU 63 -3.007 -10.456 3.318 461 H GLY 64 H GLY 64 0.652 -10.554 0.713 462 HA2 GLY 64 1HA GLY 64 2.532 -12.122 0.266 463 HA3 GLY 64 2HA GLY 64 1.396 -13.029 -0.723 464 H ASP 65 H ASP 65 0.146 -10.926 -2.068 465 HA ASP 65 HA ASP 65 1.769 -10.555 -4.266 466 HB2 ASP 65 1HB ASP 65 -0.555 -8.905 -3.270 467 HB3 ASP 65 2HB ASP 65 0.208 -8.643 -4.836 468 H GLN 66 H GLN 66 3.799 -9.785 -3.987 469 HA GLN 66 HA GLN 66 4.413 -7.567 -2.298 470 HB2 GLN 66 1HB GLN 66 6.078 -9.282 -2.704 471 HB3 GLN 66 2HB GLN 66 6.038 -8.958 -4.432 472 HG2 GLN 66 1HG GLN 66 6.806 -6.609 -3.858 473 HG3 GLN 66 2HG GLN 66 7.136 -7.230 -2.241 474 HE21 GLN 66 1HE2 GLN 66 9.196 -6.195 -3.559 475 HE22 GLN 66 2HE2 GLN 66 10.268 -7.426 -4.124 476 H VAL 67 H VAL 67 4.287 -5.469 -2.735 477 HA VAL 67 HA VAL 67 3.413 -4.576 -5.327 478 HB VAL 67 HB VAL 67 4.181 -2.932 -2.911 479 HG11 VAL 67 1HG1 VAL 67 3.758 -2.108 -5.513 480 HG12 VAL 67 2HG1 VAL 67 2.201 -1.833 -4.729 481 HG13 VAL 67 3HG1 VAL 67 3.663 -1.098 -4.070 482 HG21 VAL 67 1HG2 VAL 67 2.154 -4.718 -2.992 483 HG22 VAL 67 2HG2 VAL 67 2.124 -3.234 -2.039 484 HG23 VAL 67 3HG2 VAL 67 1.346 -3.281 -3.621 485 H VAL 68 H VAL 68 4.813 -4.372 -6.944 486 HA VAL 68 HA VAL 68 7.604 -3.742 -6.422 487 HB VAL 68 HB VAL 68 6.172 -4.379 -9.005 488 HG11 VAL 68 1HG1 VAL 68 8.911 -4.787 -9.322 489 HG12 VAL 68 2HG1 VAL 68 7.936 -3.503 -10.040 490 HG13 VAL 68 3HG1 VAL 68 8.771 -3.228 -8.511 491 HG21 VAL 68 1HG2 VAL 68 6.776 -6.088 -6.991 492 HG22 VAL 68 2HG2 VAL 68 6.688 -6.547 -8.691 493 HG23 VAL 68 3HG2 VAL 68 8.248 -6.176 -7.958 494 H LEU 69 H LEU 69 4.777 -2.303 -7.954 495 HA LEU 69 HA LEU 69 6.037 0.310 -7.787 496 HB2 LEU 69 1HB LEU 69 5.074 -0.899 -10.370 497 HB3 LEU 69 2HB LEU 69 5.330 0.830 -10.146 498 HG LEU 69 HG LEU 69 7.469 -1.286 -9.911 499 HD11 LEU 69 1HD1 LEU 69 6.952 -1.223 -12.181 500 HD12 LEU 69 2HD1 LEU 69 8.285 -0.080 -12.022 501 HD13 LEU 69 3HD1 LEU 69 6.629 0.511 -12.158 502 HD21 LEU 69 1HD2 LEU 69 7.449 1.695 -9.619 503 HD22 LEU 69 2HD2 LEU 69 8.904 0.846 -10.141 504 HD23 LEU 69 3HD2 LEU 69 8.181 0.477 -8.575 505 H ILE 70 H ILE 70 4.605 1.923 -7.397 506 HA ILE 70 HA ILE 70 1.763 1.161 -7.314 507 HB ILE 70 HB ILE 70 3.328 3.133 -5.660 508 HG12 ILE 70 1HG1 ILE 70 1.722 0.652 -5.035 509 HG13 ILE 70 2HG1 ILE 70 3.454 0.884 -4.829 510 HG21 ILE 70 1HG2 ILE 70 1.093 3.579 -4.549 511 HG22 ILE 70 2HG2 ILE 70 1.339 4.302 -6.137 512 HG23 ILE 70 3HG2 ILE 70 0.353 2.849 -5.974 513 HD11 ILE 70 1HD1 ILE 70 1.202 1.983 -3.202 514 HD12 ILE 70 2HD1 ILE 70 2.612 1.061 -2.680 515 HD13 ILE 70 3HD1 ILE 70 2.794 2.741 -3.184 516 H ASN 71 H ASN 71 1.080 1.775 -9.331 517 HA ASN 71 HA ASN 71 0.166 3.216 -10.847 518 HB2 ASN 71 1HB ASN 71 1.167 5.612 -9.356 519 HB3 ASN 71 2HB ASN 71 -0.341 5.398 -10.241 520 HD21 ASN 71 1HD2 ASN 71 0.193 6.355 -7.510 521 HD22 ASN 71 2HD2 ASN 71 -0.751 5.344 -6.474 522 H GLY 72 H GLY 72 2.742 2.171 -11.200 523 HA2 GLY 72 1HA GLY 72 4.312 2.431 -12.901 524 HA3 GLY 72 2HA GLY 72 3.776 4.092 -13.108 525 H ARG 73 H ARG 73 4.099 4.885 -10.377 526 HA ARG 73 HA ARG 73 6.930 5.420 -10.428 527 HB2 ARG 73 1HB ARG 73 4.664 6.294 -8.652 528 HB3 ARG 73 2HB ARG 73 6.335 6.669 -8.255 529 HG2 ARG 73 1HG ARG 73 6.600 7.993 -10.193 530 HG3 ARG 73 2HG ARG 73 5.089 7.402 -10.888 531 HD2 ARG 73 1HD ARG 73 3.820 8.522 -9.154 532 HD3 ARG 73 2HD ARG 73 5.309 9.044 -8.368 533 HE ARG 73 HE ARG 73 5.575 10.115 -10.805 534 HH11 ARG 73 2HH1 ARG 73 2.911 10.105 -8.564 535 HH12 ARG 73 1HH1 ARG 73 2.296 11.638 -9.086 536 HH21 ARG 73 2HH2 ARG 73 4.775 12.134 -11.502 537 HH22 ARG 73 1HH2 ARG 73 3.357 12.791 -10.758 538 H ASP 74 H ASP 74 8.477 4.712 -9.014 539 HA ASP 74 HA ASP 74 7.863 2.271 -7.576 540 HB2 ASP 74 1HB ASP 74 10.429 2.460 -7.099 541 HB3 ASP 74 2HB ASP 74 9.869 2.030 -8.713 542 H ILE 75 H ILE 75 7.996 1.964 -5.387 543 HA ILE 75 HA ILE 75 8.425 4.374 -3.746 544 HB ILE 75 HB ILE 75 6.742 3.484 -2.157 545 HG12 ILE 75 1HG1 ILE 75 5.113 1.808 -3.440 546 HG13 ILE 75 2HG1 ILE 75 6.618 1.343 -4.226 547 HG21 ILE 75 1HG2 ILE 75 4.782 3.763 -3.971 548 HG22 ILE 75 2HG2 ILE 75 5.716 5.115 -3.333 549 HG23 ILE 75 3HG2 ILE 75 6.140 4.408 -4.892 550 HD11 ILE 75 1HD1 ILE 75 5.737 0.189 -2.006 551 HD12 ILE 75 2HD1 ILE 75 7.455 0.386 -2.356 552 HD13 ILE 75 3HD1 ILE 75 6.639 1.517 -1.276 553 H ALA 76 H ALA 76 9.917 1.721 -4.551 554 HA ALA 76 HA ALA 76 10.357 0.198 -2.261 555 HB1 ALA 76 1HB ALA 76 12.793 0.196 -3.573 556 HB2 ALA 76 2HB ALA 76 11.448 -0.909 -3.856 557 HB3 ALA 76 3HB ALA 76 11.623 0.540 -4.846 558 H GLU 77 H GLU 77 11.153 3.429 -2.838 559 HA GLU 77 HA GLU 77 13.352 3.419 -0.902 560 HB2 GLU 77 1HB GLU 77 12.413 5.334 -2.992 561 HB3 GLU 77 2HB GLU 77 13.296 5.965 -1.610 562 HG2 GLU 77 1HG GLU 77 14.956 5.613 -3.174 563 HG3 GLU 77 2HG GLU 77 15.043 4.165 -2.173 564 H HIS 78 H HIS 78 10.026 4.252 -1.244 565 HA HIS 78 HA HIS 78 9.876 6.135 0.889 566 HB2 HIS 78 1HB HIS 78 7.798 4.481 -0.541 567 HB3 HIS 78 2HB HIS 78 7.389 5.588 0.766 568 HD1 HIS 78 1HD HIS 78 5.960 6.906 -1.024 569 HD2 HIS 78 2HD HIS 78 10.064 6.909 -1.673 570 HE1 HIS 78 1HE HIS 78 6.376 8.740 -2.695 571 HE2 HIS 78 2HE HIS 78 8.854 8.666 -3.136 572 H THR 79 H THR 79 9.144 5.852 2.998 573 HA THR 79 HA THR 79 9.762 3.267 4.143 574 HB THR 79 HB THR 79 9.710 4.309 6.264 575 HG1 THR 79 1HG THR 79 7.992 6.106 4.983 576 HG21 THR 79 1HG2 THR 79 11.479 5.677 5.988 577 HG22 THR 79 2HG2 THR 79 10.607 6.743 4.887 578 HG23 THR 79 3HG2 THR 79 11.328 5.251 4.284 579 H HIS 80 H HIS 80 8.354 2.039 5.447 580 HA HIS 80 HA HIS 80 5.939 1.341 4.553 581 HB2 HIS 80 1HB HIS 80 6.824 0.088 6.352 582 HB3 HIS 80 2HB HIS 80 6.883 1.494 7.410 583 HD1 HIS 80 1HD HIS 80 4.694 -1.266 6.327 584 HD2 HIS 80 2HD HIS 80 4.332 2.284 8.454 585 HE1 HIS 80 1HE HIS 80 2.478 -1.412 7.506 586 HE2 HIS 80 2HE HIS 80 2.242 0.783 8.718 587 H ASP 81 H ASP 81 6.198 3.638 7.274 588 HA ASP 81 HA ASP 81 3.620 4.443 7.505 589 HB2 ASP 81 1HB ASP 81 4.734 6.820 7.924 590 HB3 ASP 81 2HB ASP 81 4.950 5.486 9.054 591 H GLN 82 H GLN 82 5.955 6.247 5.495 592 HA GLN 82 HA GLN 82 4.195 7.933 4.233 593 HB2 GLN 82 1HB GLN 82 6.822 7.628 4.064 594 HB3 GLN 82 2HB GLN 82 6.395 6.751 2.601 595 HG2 GLN 82 1HG GLN 82 5.430 8.649 1.614 596 HG3 GLN 82 2HG GLN 82 5.393 9.524 3.144 597 HE21 GLN 82 1HE2 GLN 82 7.095 10.737 3.713 598 HE22 GLN 82 2HE2 GLN 82 8.561 10.863 2.808 599 H VAL 83 H VAL 83 5.411 4.896 2.803 600 HA VAL 83 HA VAL 83 3.939 4.701 0.557 601 HB VAL 83 HB VAL 83 4.387 2.438 2.509 602 HG11 VAL 83 1HG1 VAL 83 4.264 1.861 -0.364 603 HG12 VAL 83 2HG1 VAL 83 3.583 0.978 1.004 604 HG13 VAL 83 3HG1 VAL 83 2.737 2.380 0.347 605 HG21 VAL 83 1HG2 VAL 83 6.303 1.950 0.922 606 HG22 VAL 83 2HG2 VAL 83 6.049 3.568 0.270 607 HG23 VAL 83 3HG2 VAL 83 6.493 3.360 1.964 608 H VAL 84 H VAL 84 2.779 3.694 3.770 609 HA VAL 84 HA VAL 84 0.264 2.795 3.108 610 HB VAL 84 HB VAL 84 1.113 4.332 5.563 611 HG11 VAL 84 1HG1 VAL 84 -1.373 2.666 5.202 612 HG12 VAL 84 2HG1 VAL 84 -0.890 3.561 6.644 613 HG13 VAL 84 3HG1 VAL 84 -1.340 4.428 5.175 614 HG21 VAL 84 1HG2 VAL 84 0.521 1.438 5.627 615 HG22 VAL 84 2HG2 VAL 84 1.990 1.923 4.780 616 HG23 VAL 84 3HG2 VAL 84 1.762 2.362 6.473 617 H LEU 85 H LEU 85 1.190 6.134 3.929 618 HA LEU 85 HA LEU 85 -1.396 7.212 3.468 619 HB2 LEU 85 1HB LEU 85 1.326 8.295 3.935 620 HB3 LEU 85 2HB LEU 85 0.135 9.372 3.209 621 HG LEU 85 HG LEU 85 0.359 9.584 5.683 622 HD11 LEU 85 1HD1 LEU 85 -2.347 8.825 5.744 623 HD12 LEU 85 2HD1 LEU 85 -2.012 9.364 4.099 624 HD13 LEU 85 3HD1 LEU 85 -1.676 10.432 5.462 625 HD21 LEU 85 1HD2 LEU 85 -1.147 7.014 5.930 626 HD22 LEU 85 2HD2 LEU 85 -0.235 7.902 7.151 627 HD23 LEU 85 3HD2 LEU 85 0.617 7.007 5.892 628 H PHE 86 H PHE 86 1.413 6.671 1.454 629 HA PHE 86 HA PHE 86 0.908 8.317 -0.697 630 HB2 PHE 86 1HB PHE 86 2.842 6.630 -0.272 631 HB3 PHE 86 2HB PHE 86 1.814 5.487 -1.129 632 HD1 PHE 86 1HD PHE 86 2.503 9.104 -1.697 633 HD2 PHE 86 2HD PHE 86 2.725 5.133 -3.212 634 HE1 PHE 86 1HE PHE 86 3.335 9.973 -3.843 635 HE2 PHE 86 2HE PHE 86 3.558 5.995 -5.360 636 HZ PHE 86 HZ PHE 86 3.865 8.418 -5.678 637 H ILE 87 H ILE 87 -0.543 5.197 0.075 638 HA ILE 87 HA ILE 87 -1.995 4.936 -2.353 639 HB ILE 87 HB ILE 87 -2.637 3.688 0.320 640 HG12 ILE 87 1HG1 ILE 87 -1.143 2.276 -1.853 641 HG13 ILE 87 2HG1 ILE 87 -0.266 3.378 -0.797 642 HG21 ILE 87 1HG2 ILE 87 -3.223 2.127 -2.041 643 HG22 ILE 87 2HG2 ILE 87 -4.273 2.576 -0.698 644 HG23 ILE 87 3HG2 ILE 87 -4.067 3.675 -2.062 645 HD11 ILE 87 1HD1 ILE 87 -1.884 1.007 0.105 646 HD12 ILE 87 2HD1 ILE 87 -0.126 1.074 -0.025 647 HD13 ILE 87 3HD1 ILE 87 -0.963 2.096 1.143 648 H LYS 88 H LYS 88 -2.872 6.093 0.887 649 HA LYS 88 HA LYS 88 -5.579 6.584 0.407 650 HB2 LYS 88 1HB LYS 88 -3.571 7.703 2.328 651 HB3 LYS 88 2HB LYS 88 -5.175 8.418 2.236 652 HG2 LYS 88 1HG LYS 88 -5.376 6.872 3.946 653 HG3 LYS 88 2HG LYS 88 -6.034 6.014 2.551 654 HD2 LYS 88 1HD LYS 88 -3.873 4.893 2.236 655 HD3 LYS 88 2HD LYS 88 -3.233 5.741 3.645 656 HE2 LYS 88 1HE LYS 88 -5.731 4.143 3.936 657 HE3 LYS 88 2HE LYS 88 -4.188 3.296 3.840 658 HZ1 LYS 88 1HZ LYS 88 -5.077 3.978 6.131 659 HZ2 LYS 88 2HZ LYS 88 -4.555 5.535 5.724 660 HZ3 LYS 88 3HZ LYS 88 -3.444 4.261 5.791 661 H ALA 89 H ALA 89 -2.731 8.474 -0.354 662 HA ALA 89 HA ALA 89 -3.867 10.955 -0.865 663 HB1 ALA 89 1HB ALA 89 -1.423 10.384 -0.854 664 HB2 ALA 89 2HB ALA 89 -1.637 9.740 -2.482 665 HB3 ALA 89 3HB ALA 89 -1.938 11.448 -2.163 666 H SER 90 H SER 90 -3.942 8.021 -2.753 667 HA SER 90 HA SER 90 -4.471 8.738 -5.285 668 HB2 SER 90 1HB SER 90 -5.640 6.738 -5.563 669 HB3 SER 90 2HB SER 90 -4.699 6.420 -4.105 670 HG SER 90 HG SER 90 -6.709 7.294 -3.018 671 H CYS 91 H CYS 91 -6.477 9.434 -2.536 672 HA CYS 91 HA CYS 91 -8.945 9.929 -3.563 673 HB2 CYS 91 1HB CYS 91 -9.080 11.838 -1.902 674 HB3 CYS 91 2HB CYS 91 -8.589 10.285 -1.238 675 HG CYS 91 HG CYS 91 -5.992 10.901 -0.817 676 H GLU 92 H GLU 92 -6.125 12.065 -3.777 677 HA GLU 92 HA GLU 92 -7.470 13.480 -5.974 678 HB2 GLU 92 1HB GLU 92 -6.180 14.638 -3.536 679 HB3 GLU 92 2HB GLU 92 -6.105 15.528 -5.049 680 HG2 GLU 92 1HG GLU 92 -8.657 14.570 -3.779 681 HG3 GLU 92 2HG GLU 92 -7.981 16.183 -3.561 682 H ARG 93 H ARG 93 -5.949 11.581 -6.791 683 HA ARG 93 HA ARG 93 -3.359 12.825 -7.446 684 HB2 ARG 93 1HB ARG 93 -3.974 9.901 -6.989 685 HB3 ARG 93 2HB ARG 93 -2.458 10.499 -7.650 686 HG2 ARG 93 1HG ARG 93 -3.460 11.476 -5.007 687 HG3 ARG 93 2HG ARG 93 -2.593 9.945 -5.142 688 HD2 ARG 93 1HD ARG 93 -0.653 11.018 -5.985 689 HD3 ARG 93 2HD ARG 93 -1.518 12.534 -6.232 690 HE ARG 93 HE ARG 93 -0.425 11.532 -3.749 691 HH11 ARG 93 2HH1 ARG 93 -2.594 13.783 -5.280 692 HH12 ARG 93 1HH1 ARG 93 -2.618 14.876 -3.937 693 HH21 ARG 93 2HH2 ARG 93 -0.447 12.964 -1.973 694 HH22 ARG 93 1HH2 ARG 93 -1.395 14.410 -2.056 695 H HIS 94 H HIS 94 -2.409 11.493 -9.448 696 HA HIS 94 HA HIS 94 -4.151 12.093 -11.623 697 HB2 HIS 94 1HB HIS 94 -1.426 10.814 -11.455 698 HB3 HIS 94 2HB HIS 94 -2.270 11.024 -12.986 699 HD1 HIS 94 1HD HIS 94 -0.043 12.731 -10.693 700 HD2 HIS 94 2HD HIS 94 -2.840 13.857 -13.551 701 HE1 HIS 94 1HE HIS 94 0.464 15.137 -11.219 702 HE2 HIS 94 2HE HIS 94 -1.294 15.821 -12.887 703 H SER 95 H SER 95 -4.294 10.388 -13.473 704 HA SER 95 HA SER 95 -5.550 8.594 -14.152 705 HB2 SER 95 1HB SER 95 -4.456 6.520 -13.843 706 HB3 SER 95 2HB SER 95 -3.170 7.723 -13.749 707 HG SER 95 HG SER 95 -3.696 7.600 -11.358 708 H GLY 96 H GLY 96 -6.476 9.982 -11.692 709 HA2 GLY 96 1HA GLY 96 -7.848 9.615 -9.846 710 HA3 GLY 96 2HA GLY 96 -8.768 8.760 -11.075 711 H GLU 97 H GLU 97 -8.742 6.517 -11.133 712 HA GLU 97 HA GLU 97 -8.665 5.133 -8.775 713 HB2 GLU 97 1HB GLU 97 -8.590 3.080 -10.096 714 HB3 GLU 97 2HB GLU 97 -9.673 4.255 -10.830 715 HG2 GLU 97 1HG GLU 97 -7.859 4.872 -12.400 716 HG3 GLU 97 2HG GLU 97 -6.879 3.577 -11.715 717 H LEU 98 H LEU 98 -7.172 3.123 -8.421 718 HA LEU 98 HA LEU 98 -4.377 4.033 -8.632 719 HB2 LEU 98 1HB LEU 98 -5.668 3.912 -6.329 720 HB3 LEU 98 2HB LEU 98 -5.236 2.208 -6.446 721 HG LEU 98 HG LEU 98 -3.081 4.233 -6.785 722 HD11 LEU 98 1HD1 LEU 98 -3.247 3.505 -4.040 723 HD12 LEU 98 2HD1 LEU 98 -4.778 4.234 -4.524 724 HD13 LEU 98 3HD1 LEU 98 -3.268 5.114 -4.762 725 HD21 LEU 98 1HD2 LEU 98 -2.011 2.354 -5.295 726 HD22 LEU 98 2HD2 LEU 98 -2.228 2.119 -7.030 727 HD23 LEU 98 3HD2 LEU 98 -3.373 1.406 -5.892 728 H MET 99 H MET 99 -2.791 2.500 -9.057 729 HA MET 99 HA MET 99 -3.744 -0.201 -9.736 730 HB2 MET 99 1HB MET 99 -2.028 1.648 -11.378 731 HB3 MET 99 2HB MET 99 -2.009 -0.093 -11.626 732 HG2 MET 99 1HG MET 99 -4.114 -0.135 -12.503 733 HG3 MET 99 2HG MET 99 -4.631 1.298 -11.617 734 HE1 MET 99 1HE MET 99 -4.477 1.319 -15.752 735 HE2 MET 99 2HE MET 99 -3.186 0.201 -15.311 736 HE3 MET 99 3HE MET 99 -4.773 0.060 -14.552 737 H LEU 100 H LEU 100 -2.672 -1.718 -8.667 738 HA LEU 100 HA LEU 100 0.001 -1.077 -7.618 739 HB2 LEU 100 1HB LEU 100 -1.866 -3.244 -6.678 740 HB3 LEU 100 2HB LEU 100 -0.387 -2.694 -5.894 741 HG LEU 100 HG LEU 100 -2.754 -0.878 -6.250 742 HD11 LEU 100 1HD1 LEU 100 -3.323 -1.475 -3.888 743 HD12 LEU 100 2HD1 LEU 100 -2.229 -2.850 -4.036 744 HD13 LEU 100 3HD1 LEU 100 -3.653 -2.741 -5.072 745 HD21 LEU 100 1HD2 LEU 100 -0.491 0.033 -5.678 746 HD22 LEU 100 2HD2 LEU 100 -0.565 -0.893 -4.179 747 HD23 LEU 100 3HD2 LEU 100 -1.750 0.377 -4.491 748 H LEU 101 H LEU 101 1.629 -1.961 -8.690 749 HA LEU 101 HA LEU 101 1.201 -4.247 -10.415 750 HB2 LEU 101 1HB LEU 101 2.574 -2.288 -11.093 751 HB3 LEU 101 2HB LEU 101 3.744 -2.731 -9.852 752 HG LEU 101 HG LEU 101 3.864 -4.989 -11.126 753 HD11 LEU 101 1HD1 LEU 101 2.409 -3.222 -13.036 754 HD12 LEU 101 2HD1 LEU 101 2.192 -4.939 -12.701 755 HD13 LEU 101 3HD1 LEU 101 3.574 -4.394 -13.651 756 HD21 LEU 101 1HD2 LEU 101 5.835 -4.250 -11.891 757 HD22 LEU 101 2HD2 LEU 101 5.398 -2.735 -11.102 758 HD23 LEU 101 3HD2 LEU 101 5.096 -2.951 -12.827 759 H VAL 102 H VAL 102 1.050 -6.134 -9.346 760 HA VAL 102 HA VAL 102 3.126 -6.759 -7.351 761 HB VAL 102 HB VAL 102 1.622 -8.389 -6.391 762 HG11 VAL 102 1HG1 VAL 102 1.086 -5.579 -6.501 763 HG12 VAL 102 2HG1 VAL 102 -0.430 -6.465 -6.322 764 HG13 VAL 102 3HG1 VAL 102 0.873 -6.701 -5.157 765 HG21 VAL 102 1HG2 VAL 102 -0.592 -8.800 -7.207 766 HG22 VAL 102 2HG2 VAL 102 -0.429 -7.544 -8.433 767 HG23 VAL 102 3HG2 VAL 102 0.533 -9.017 -8.547 768 H ARG 103 H ARG 103 3.521 -9.215 -7.206 769 HA ARG 103 HA ARG 103 3.895 -10.230 -9.946 770 HB2 ARG 103 1HB ARG 103 5.912 -9.664 -8.402 771 HB3 ARG 103 2HB ARG 103 5.498 -11.168 -7.589 772 HG2 ARG 103 1HG ARG 103 5.600 -12.201 -9.954 773 HG3 ARG 103 2HG ARG 103 6.498 -10.741 -10.371 774 HD2 ARG 103 1HD ARG 103 7.205 -12.714 -8.202 775 HD3 ARG 103 2HD ARG 103 8.011 -12.549 -9.761 776 HE ARG 103 HE ARG 103 8.060 -10.078 -8.417 777 HH11 ARG 103 2HH1 ARG 103 9.454 -13.264 -8.258 778 HH12 ARG 103 1HH1 ARG 103 10.916 -12.729 -7.498 779 HH21 ARG 103 2HH2 ARG 103 9.981 -9.361 -7.417 780 HH22 ARG 103 1HH2 ARG 103 11.214 -10.508 -7.019 781 HA PRO 104 HA PRO 104 1.047 -13.430 -8.763 782 HB2 PRO 104 1HB PRO 104 1.289 -14.896 -11.035 783 HB3 PRO 104 2HB PRO 104 0.353 -13.399 -10.953 784 HG2 PRO 104 1HG PRO 104 3.131 -13.842 -11.977 785 HG3 PRO 104 2HG PRO 104 1.825 -12.862 -12.671 786 HD2 PRO 104 1HD PRO 104 3.859 -11.781 -11.247 787 HD3 PRO 104 2HD PRO 104 2.221 -11.097 -11.243 788 H ASN 105 H ASN 105 1.121 -15.593 -8.111 789 HA ASN 105 HA ASN 105 3.821 -16.769 -8.015 790 HB2 ASN 105 1HB ASN 105 1.618 -16.660 -5.983 791 HB3 ASN 105 2HB ASN 105 2.774 -17.989 -5.947 792 HD21 ASN 105 1HD2 ASN 105 3.173 -16.994 -3.802 793 HD22 ASN 105 2HD2 ASN 105 4.354 -15.736 -3.709 794 H ALA 106 H ALA 106 3.563 -17.961 -9.921 795 HA ALA 106 HA ALA 106 3.085 -19.829 -11.133 796 HB1 ALA 106 1HB ALA 106 1.623 -21.076 -8.857 797 HB2 ALA 106 2HB ALA 106 2.744 -21.798 -10.011 798 HB3 ALA 106 3HB ALA 106 3.356 -20.786 -8.703 799 H VAL 107 H VAL 107 1.157 -17.573 -10.829 800 HA VAL 107 HA VAL 107 -1.331 -18.993 -11.520 801 HB VAL 107 HB VAL 107 -1.123 -16.093 -10.724 802 HG11 VAL 107 1HG1 VAL 107 -3.169 -17.513 -11.900 803 HG12 VAL 107 2HG1 VAL 107 -3.592 -17.536 -10.187 804 HG13 VAL 107 3HG1 VAL 107 -3.335 -15.998 -11.013 805 HG21 VAL 107 1HG2 VAL 107 -0.515 -18.145 -9.038 806 HG22 VAL 107 2HG2 VAL 107 -1.169 -16.587 -8.534 807 HG23 VAL 107 3HG2 VAL 107 -2.248 -17.962 -8.768 808 H TYR 108 H TYR 108 0.215 -19.102 -13.581 809 HA TYR 108 HA TYR 108 -0.204 -16.731 -15.252 810 HB2 TYR 108 1HB TYR 108 1.356 -17.864 -16.831 811 HB3 TYR 108 2HB TYR 108 2.066 -17.552 -15.251 812 HD1 TYR 108 1HD TYR 108 2.195 -19.472 -13.593 813 HD2 TYR 108 2HD TYR 108 1.286 -20.042 -17.710 814 HE1 TYR 108 1HE TYR 108 2.802 -21.847 -13.392 815 HE2 TYR 108 2HE TYR 108 1.888 -22.419 -17.520 816 HH TYR 108 HH TYR 108 1.957 -24.107 -15.040 817 H ASP 109 H ASP 109 -2.238 -16.794 -16.036 818 HA ASP 109 HA ASP 109 -2.880 -18.923 -17.901 819 HB2 ASP 109 1HB ASP 109 -3.796 -19.415 -15.483 820 HB3 ASP 109 2HB ASP 109 -5.023 -18.234 -15.930 821 H VAL 110 H VAL 110 -4.565 -18.367 -19.375 822 HA VAL 110 HA VAL 110 -4.524 -15.806 -20.360 823 HB VAL 110 HB VAL 110 -5.414 -17.770 -21.584 824 HG11 VAL 110 1HG1 VAL 110 -7.789 -18.379 -21.260 825 HG12 VAL 110 2HG1 VAL 110 -6.783 -18.761 -19.861 826 HG13 VAL 110 3HG1 VAL 110 -7.832 -17.342 -19.834 827 HG21 VAL 110 1HG2 VAL 110 -7.703 -16.103 -21.983 828 HG22 VAL 110 2HG2 VAL 110 -6.287 -15.092 -21.692 829 HG23 VAL 110 3HG2 VAL 110 -6.269 -16.281 -22.994 830 H VAL 111 H VAL 111 -5.563 -13.930 -19.981 831 HA VAL 111 HA VAL 111 -7.618 -13.921 -17.864 832 HB VAL 111 HB VAL 111 -5.658 -12.862 -16.989 833 HG11 VAL 111 1HG1 VAL 111 -4.473 -11.087 -18.068 834 HG12 VAL 111 2HG1 VAL 111 -4.615 -12.419 -19.217 835 HG13 VAL 111 3HG1 VAL 111 -5.664 -11.009 -19.365 836 HG21 VAL 111 1HG2 VAL 111 -7.704 -11.776 -16.367 837 HG22 VAL 111 2HG2 VAL 111 -6.481 -10.535 -16.643 838 HG23 VAL 111 3HG2 VAL 111 -7.718 -10.841 -17.863 839 H GLU 112 H GLU 112 -9.379 -12.541 -18.098 840 HA GLU 112 HA GLU 112 -9.650 -11.216 -20.712 841 HB2 GLU 112 1HB GLU 112 -10.905 -13.273 -20.848 842 HB3 GLU 112 2HB GLU 112 -11.692 -12.944 -19.310 843 HG2 GLU 112 1HG GLU 112 -13.315 -12.390 -20.851 844 HG3 GLU 112 2HG GLU 112 -12.590 -10.830 -20.469 845 H GLU 113 H GLU 113 -9.880 -9.111 -20.395 846 HA GLU 113 HA GLU 113 -11.500 -8.205 -18.107 847 HB2 GLU 113 1HB GLU 113 -8.955 -7.813 -17.984 848 HB3 GLU 113 2HB GLU 113 -9.216 -6.607 -19.236 849 HG2 GLU 113 1HG GLU 113 -10.335 -5.189 -17.839 850 HG3 GLU 113 2HG GLU 113 -10.890 -6.488 -16.785 851 H SER 114 H SER 114 -10.126 -7.031 -21.185 852 HA SER 114 HA SER 114 -12.674 -5.633 -21.674 853 HB2 SER 114 1HB SER 114 -11.314 -4.144 -23.184 854 HB3 SER 114 2HB SER 114 -10.899 -4.025 -21.474 855 HG SER 114 HG SER 114 -8.951 -4.413 -22.161 856 H GLY 115 H GLY 115 -12.901 -5.193 -24.170 857 HA2 GLY 115 1HA GLY 115 -12.737 -7.838 -25.436 858 HA3 GLY 115 2HA GLY 115 -13.823 -6.538 -25.907 859 HA PRO 116 HA PRO 116 -9.697 -6.651 -28.369 860 HB2 PRO 116 1HB PRO 116 -10.418 -8.207 -30.473 861 HB3 PRO 116 2HB PRO 116 -9.654 -8.855 -29.017 862 HG2 PRO 116 1HG PRO 116 -12.548 -8.823 -29.783 863 HG3 PRO 116 2HG PRO 116 -11.597 -10.132 -29.057 864 HD2 PRO 116 1HD PRO 116 -13.247 -8.551 -27.604 865 HD3 PRO 116 2HD PRO 116 -11.752 -9.239 -26.938 866 H SER 117 H SER 117 -13.010 -6.832 -29.666 867 HA SER 117 HA SER 117 -12.639 -5.263 -31.932 868 HB2 SER 117 1HB SER 117 -14.709 -6.627 -31.162 869 HB3 SER 117 2HB SER 117 -15.186 -5.144 -30.336 870 HG SER 117 HG SER 117 -15.433 -5.766 -32.922 871 H SER 118 H SER 118 -12.482 -3.132 -32.320 872 HA SER 118 HA SER 118 -12.686 -1.317 -30.006 873 HB2 SER 118 1HB SER 118 -10.378 -1.640 -30.952 874 HB3 SER 118 2HB SER 118 -10.955 -0.921 -32.455 875 HG SER 118 HG SER 118 -10.849 0.299 -29.896 876 H GLY 119 H GLY 119 -13.630 0.715 -30.298 877 HA2 GLY 119 1HA GLY 119 -15.583 0.801 -32.452 878 HA3 GLY 119 2HA GLY 119 -15.520 1.867 -31.057 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.643 23.220 -11.352 2 HA2 GLY 1 1HA GLY 1 3.410 23.956 -13.349 3 HA3 GLY 1 2HA GLY 1 4.365 23.870 -11.876 4 H SER 2 H SER 2 4.636 22.225 -14.222 5 HA SER 2 HA SER 2 4.759 19.675 -12.954 6 HB2 SER 2 1HB SER 2 3.277 18.510 -14.634 7 HB3 SER 2 2HB SER 2 2.421 19.516 -13.466 8 HG SER 2 HG SER 2 1.691 19.843 -15.622 9 H SER 3 H SER 3 6.291 18.431 -13.886 10 HA SER 3 HA SER 3 7.158 19.068 -16.615 11 HB2 SER 3 1HB SER 3 9.529 18.978 -15.892 12 HB3 SER 3 2HB SER 3 8.654 20.318 -15.151 13 HG SER 3 HG SER 3 9.960 19.118 -13.660 14 H GLY 4 H GLY 4 7.184 17.276 -17.789 15 HA2 GLY 4 1HA GLY 4 7.506 14.697 -16.399 16 HA3 GLY 4 2HA GLY 4 6.669 14.922 -17.928 17 H SER 5 H SER 5 7.904 15.279 -19.835 18 HA SER 5 HA SER 5 9.545 14.536 -21.253 19 HB2 SER 5 1HB SER 5 11.164 16.074 -19.209 20 HB3 SER 5 2HB SER 5 11.765 15.583 -20.793 21 HG SER 5 HG SER 5 10.044 17.620 -20.108 22 H SER 6 H SER 6 8.818 12.521 -19.498 23 HA SER 6 HA SER 6 11.375 11.105 -19.195 24 HB2 SER 6 1HB SER 6 10.250 12.005 -16.993 25 HB3 SER 6 2HB SER 6 9.184 10.617 -17.210 26 HG SER 6 HG SER 6 11.142 10.266 -15.920 27 H GLY 7 H GLY 7 11.114 8.731 -19.111 28 HA2 GLY 7 1HA GLY 7 9.562 6.847 -19.442 29 HA3 GLY 7 2HA GLY 7 8.711 7.863 -20.596 30 H ASN 8 H ASN 8 9.351 5.474 -21.510 31 HA ASN 8 HA ASN 8 11.434 6.060 -23.467 32 HB2 ASN 8 1HB ASN 8 11.531 3.863 -21.457 33 HB3 ASN 8 2HB ASN 8 12.085 3.501 -23.089 34 HD21 ASN 8 1HD2 ASN 8 13.421 3.866 -20.393 35 HD22 ASN 8 2HD2 ASN 8 14.726 4.950 -20.720 36 H GLY 9 H GLY 9 10.721 5.605 -25.443 37 HA2 GLY 9 1HA GLY 9 8.197 4.338 -25.848 38 HA3 GLY 9 2HA GLY 9 9.302 4.875 -27.104 39 H GLY 10 H GLY 10 8.094 2.206 -25.334 40 HA2 GLY 10 1HA GLY 10 8.755 0.230 -27.067 41 HA3 GLY 10 2HA GLY 10 10.202 0.380 -26.082 42 H ILE 11 H ILE 11 6.855 -0.575 -26.148 43 HA ILE 11 HA ILE 11 6.261 -1.053 -23.522 44 HB ILE 11 HB ILE 11 5.622 -2.875 -25.845 45 HG12 ILE 11 1HG1 ILE 11 4.879 -0.552 -26.179 46 HG13 ILE 11 2HG1 ILE 11 3.512 -1.639 -25.959 47 HG21 ILE 11 1HG2 ILE 11 5.285 -3.999 -23.719 48 HG22 ILE 11 2HG2 ILE 11 4.328 -2.640 -23.132 49 HG23 ILE 11 3HG2 ILE 11 3.733 -3.626 -24.468 50 HD11 ILE 11 1HD1 ILE 11 2.767 -0.335 -24.343 51 HD12 ILE 11 2HD1 ILE 11 4.227 -0.663 -23.410 52 HD13 ILE 11 3HD1 ILE 11 4.176 0.711 -24.514 53 HA PRO 12 HA PRO 12 9.348 -3.930 -22.173 54 HB2 PRO 12 1HB PRO 12 8.203 -4.545 -19.789 55 HB3 PRO 12 2HB PRO 12 9.048 -3.020 -20.084 56 HG2 PRO 12 1HG PRO 12 6.110 -3.594 -20.113 57 HG3 PRO 12 2HG PRO 12 6.973 -2.211 -19.415 58 HD2 PRO 12 1HD PRO 12 5.707 -2.083 -21.806 59 HD3 PRO 12 2HD PRO 12 7.175 -1.150 -21.451 60 H HIS 13 H HIS 13 9.638 -6.127 -22.130 61 HA HIS 13 HA HIS 13 7.329 -7.738 -22.924 62 HB2 HIS 13 1HB HIS 13 10.306 -8.219 -23.068 63 HB3 HIS 13 2HB HIS 13 9.120 -9.468 -23.435 64 HD1 HIS 13 1HD HIS 13 11.244 -7.584 -25.272 65 HD2 HIS 13 2HD HIS 13 7.100 -7.865 -25.366 66 HE1 HIS 13 1HE HIS 13 10.569 -6.804 -27.566 67 HE2 HIS 13 2HE HIS 13 8.052 -6.902 -27.569 68 H ASP 14 H ASP 14 6.303 -8.062 -20.952 69 HA ASP 14 HA ASP 14 7.426 -10.170 -19.337 70 HB2 ASP 14 1HB ASP 14 6.967 -8.816 -17.198 71 HB3 ASP 14 2HB ASP 14 8.443 -8.457 -18.091 72 H ASN 15 H ASN 15 5.831 -10.692 -17.478 73 HA ASN 15 HA ASN 15 3.075 -10.237 -18.411 74 HB2 ASN 15 1HB ASN 15 2.581 -12.585 -17.645 75 HB3 ASN 15 2HB ASN 15 3.627 -12.477 -19.058 76 HD21 ASN 15 1HD2 ASN 15 3.312 -13.543 -15.836 77 HD22 ASN 15 2HD2 ASN 15 4.889 -14.230 -15.666 78 H LEU 16 H LEU 16 3.967 -8.556 -16.567 79 HA LEU 16 HA LEU 16 3.683 -9.478 -13.882 80 HB2 LEU 16 1HB LEU 16 4.022 -6.862 -15.233 81 HB3 LEU 16 2HB LEU 16 3.336 -6.849 -13.609 82 HG LEU 16 HG LEU 16 5.845 -6.492 -13.818 83 HD11 LEU 16 1HD1 LEU 16 6.306 -7.747 -11.802 84 HD12 LEU 16 2HD1 LEU 16 4.893 -8.764 -12.079 85 HD13 LEU 16 3HD1 LEU 16 4.688 -7.050 -11.719 86 HD21 LEU 16 1HD2 LEU 16 7.186 -8.066 -14.659 87 HD22 LEU 16 2HD2 LEU 16 5.726 -8.763 -15.362 88 HD23 LEU 16 3HD2 LEU 16 6.336 -9.364 -13.819 89 H VAL 17 H VAL 17 2.020 -8.793 -12.380 90 HA VAL 17 HA VAL 17 -0.624 -8.823 -13.644 91 HB VAL 17 HB VAL 17 0.164 -9.341 -10.773 92 HG11 VAL 17 1HG1 VAL 17 -1.971 -8.988 -10.271 93 HG12 VAL 17 2HG1 VAL 17 -2.380 -8.733 -11.969 94 HG13 VAL 17 3HG1 VAL 17 -2.388 -10.363 -11.293 95 HG21 VAL 17 1HG2 VAL 17 -0.780 -11.670 -11.523 96 HG22 VAL 17 2HG2 VAL 17 -0.333 -11.098 -13.131 97 HG23 VAL 17 3HG2 VAL 17 0.891 -11.226 -11.868 98 H LEU 18 H LEU 18 -1.767 -7.016 -13.779 99 HA LEU 18 HA LEU 18 -1.030 -4.741 -12.080 100 HB2 LEU 18 1HB LEU 18 -0.949 -4.274 -14.431 101 HB3 LEU 18 2HB LEU 18 -2.577 -4.909 -14.659 102 HG LEU 18 HG LEU 18 -3.290 -2.984 -13.080 103 HD11 LEU 18 1HD1 LEU 18 -1.150 -2.267 -12.309 104 HD12 LEU 18 2HD1 LEU 18 -1.807 -0.993 -13.336 105 HD13 LEU 18 3HD1 LEU 18 -0.559 -2.070 -13.960 106 HD21 LEU 18 1HD2 LEU 18 -2.305 -2.050 -15.744 107 HD22 LEU 18 2HD2 LEU 18 -3.826 -1.696 -14.924 108 HD23 LEU 18 3HD2 LEU 18 -3.562 -3.284 -15.645 109 H ILE 19 H ILE 19 -2.352 -4.007 -10.541 110 HA ILE 19 HA ILE 19 -4.990 -5.261 -10.282 111 HB ILE 19 HB ILE 19 -3.295 -3.779 -8.271 112 HG12 ILE 19 1HG1 ILE 19 -2.798 -6.219 -8.989 113 HG13 ILE 19 2HG1 ILE 19 -2.886 -5.853 -7.270 114 HG21 ILE 19 1HG2 ILE 19 -5.368 -3.203 -7.503 115 HG22 ILE 19 2HG2 ILE 19 -6.144 -4.621 -8.206 116 HG23 ILE 19 3HG2 ILE 19 -5.191 -4.779 -6.731 117 HD11 ILE 19 1HD1 ILE 19 -4.038 -7.956 -8.023 118 HD12 ILE 19 2HD1 ILE 19 -5.020 -6.837 -7.078 119 HD13 ILE 19 3HD1 ILE 19 -5.218 -6.923 -8.828 120 H ARG 20 H ARG 20 -6.764 -4.154 -10.751 121 HA ARG 20 HA ARG 20 -6.665 -1.212 -10.635 122 HB2 ARG 20 1HB ARG 20 -8.128 -2.881 -12.690 123 HB3 ARG 20 2HB ARG 20 -8.132 -1.125 -12.594 124 HG2 ARG 20 1HG ARG 20 -5.680 -1.153 -12.979 125 HG3 ARG 20 2HG ARG 20 -5.783 -2.898 -13.220 126 HD2 ARG 20 1HD ARG 20 -5.789 -1.705 -15.351 127 HD3 ARG 20 2HD ARG 20 -7.309 -2.559 -15.091 128 HE ARG 20 HE ARG 20 -6.913 0.305 -15.206 129 HH11 ARG 20 2HH1 ARG 20 -9.015 -2.317 -14.299 130 HH12 ARG 20 1HH1 ARG 20 -10.451 -1.347 -14.324 131 HH21 ARG 20 2HH2 ARG 20 -8.795 1.593 -15.243 132 HH22 ARG 20 1HH2 ARG 20 -10.324 0.877 -14.862 133 H MET 21 H MET 21 -8.244 -0.263 -9.500 134 HA MET 21 HA MET 21 -10.831 -1.471 -9.165 135 HB2 MET 21 1HB MET 21 -10.778 -1.787 -6.798 136 HB3 MET 21 2HB MET 21 -9.398 -2.647 -7.470 137 HG2 MET 21 1HG MET 21 -9.000 0.143 -6.535 138 HG3 MET 21 2HG MET 21 -9.182 -1.131 -5.332 139 HE1 MET 21 1HE MET 21 -5.796 -2.476 -4.968 140 HE2 MET 21 2HE MET 21 -7.172 -1.673 -4.211 141 HE3 MET 21 3HE MET 21 -7.403 -3.198 -5.067 142 H LYS 22 H LYS 22 -12.094 -0.103 -7.427 143 HA LYS 22 HA LYS 22 -11.356 2.725 -7.808 144 HB2 LYS 22 1HB LYS 22 -13.778 3.232 -7.904 145 HB3 LYS 22 2HB LYS 22 -13.248 2.201 -9.226 146 HG2 LYS 22 1HG LYS 22 -14.089 0.240 -7.941 147 HG3 LYS 22 2HG LYS 22 -14.761 1.369 -6.763 148 HD2 LYS 22 1HD LYS 22 -16.274 2.264 -8.330 149 HD3 LYS 22 2HD LYS 22 -15.417 1.540 -9.692 150 HE2 LYS 22 1HE LYS 22 -17.386 0.256 -9.345 151 HE3 LYS 22 2HE LYS 22 -16.032 -0.707 -8.754 152 HZ1 LYS 22 1HZ LYS 22 -17.774 -0.849 -7.171 153 HZ2 LYS 22 2HZ LYS 22 -17.984 0.829 -7.134 154 HZ3 LYS 22 3HZ LYS 22 -16.579 0.139 -6.494 155 HA PRO 23 HA PRO 23 -11.627 3.237 -3.454 156 HB2 PRO 23 1HB PRO 23 -12.417 5.830 -3.301 157 HB3 PRO 23 2HB PRO 23 -10.785 5.350 -3.779 158 HG2 PRO 23 1HG PRO 23 -13.102 6.152 -5.496 159 HG3 PRO 23 2HG PRO 23 -11.395 6.613 -5.634 160 HD2 PRO 23 1HD PRO 23 -12.516 4.693 -7.181 161 HD3 PRO 23 2HD PRO 23 -10.816 4.638 -6.671 162 H ASP 24 H ASP 24 -13.078 3.163 -1.773 163 HA ASP 24 HA ASP 24 -15.796 2.588 -2.422 164 HB2 ASP 24 1HB ASP 24 -14.271 1.713 -0.458 165 HB3 ASP 24 2HB ASP 24 -14.915 3.117 0.388 166 H GLU 25 H GLU 25 -17.449 3.634 -0.678 167 HA GLU 25 HA GLU 25 -17.994 6.204 -1.617 168 HB2 GLU 25 1HB GLU 25 -18.945 4.929 0.955 169 HB3 GLU 25 2HB GLU 25 -19.676 6.321 0.168 170 HG2 GLU 25 1HG GLU 25 -19.426 3.648 -1.175 171 HG3 GLU 25 2HG GLU 25 -20.812 4.095 -0.182 172 H ASN 26 H ASN 26 -16.228 5.124 1.222 173 HA ASN 26 HA ASN 26 -15.863 7.874 2.130 174 HB2 ASN 26 1HB ASN 26 -15.089 5.213 3.338 175 HB3 ASN 26 2HB ASN 26 -14.659 6.765 4.051 176 HD21 ASN 26 1HD2 ASN 26 -16.322 8.115 4.836 177 HD22 ASN 26 2HD2 ASN 26 -17.861 7.465 5.277 178 H GLY 27 H GLY 27 -14.642 6.755 -0.362 179 HA2 GLY 27 1HA GLY 27 -12.605 6.689 -1.440 180 HA3 GLY 27 2HA GLY 27 -12.268 8.095 -0.441 181 H ARG 28 H ARG 28 -12.524 4.579 0.114 182 HA ARG 28 HA ARG 28 -9.761 4.516 1.012 183 HB2 ARG 28 1HB ARG 28 -10.229 3.616 3.184 184 HB3 ARG 28 2HB ARG 28 -11.132 5.116 3.018 185 HG2 ARG 28 1HG ARG 28 -13.174 3.995 2.789 186 HG3 ARG 28 2HG ARG 28 -12.385 2.452 2.455 187 HD2 ARG 28 1HD ARG 28 -12.157 3.912 5.080 188 HD3 ARG 28 2HD ARG 28 -13.374 2.678 4.753 189 HE ARG 28 HE ARG 28 -10.634 2.246 5.388 190 HH11 ARG 28 2HH1 ARG 28 -13.296 0.986 3.530 191 HH12 ARG 28 1HH1 ARG 28 -12.701 -0.642 3.540 192 HH21 ARG 28 2HH2 ARG 28 -9.842 0.107 5.407 193 HH22 ARG 28 1HH2 ARG 28 -10.737 -1.141 4.608 194 H PHE 29 H PHE 29 -8.863 2.426 1.059 195 HA PHE 29 HA PHE 29 -10.440 0.445 -0.429 196 HB2 PHE 29 1HB PHE 29 -7.441 0.562 -0.054 197 HB3 PHE 29 2HB PHE 29 -8.324 -0.520 -1.126 198 HD1 PHE 29 2HD PHE 29 -7.608 3.067 -0.499 199 HD2 PHE 29 1HD PHE 29 -8.774 0.101 -3.320 200 HE1 PHE 29 2HE PHE 29 -7.426 4.723 -2.310 201 HE2 PHE 29 1HE PHE 29 -8.593 1.751 -5.136 202 HZ PHE 29 HZ PHE 29 -7.919 4.066 -4.632 203 H GLY 30 H GLY 30 -9.285 -1.883 0.059 204 HA2 GLY 30 1HA GLY 30 -9.322 -2.202 2.994 205 HA3 GLY 30 2HA GLY 30 -10.248 -3.267 1.946 206 H PHE 31 H PHE 31 -6.907 -2.068 2.294 207 HA PHE 31 HA PHE 31 -5.901 -4.765 2.402 208 HB2 PHE 31 1HB PHE 31 -4.604 -4.760 0.419 209 HB3 PHE 31 2HB PHE 31 -6.209 -4.228 -0.071 210 HD1 PHE 31 1HD PHE 31 -2.845 -2.965 0.858 211 HD2 PHE 31 2HD PHE 31 -6.488 -2.223 -1.214 212 HE1 PHE 31 1HE PHE 31 -1.862 -0.942 -0.139 213 HE2 PHE 31 2HE PHE 31 -5.510 -0.200 -2.215 214 HZ PHE 31 HZ PHE 31 -3.194 0.443 -1.679 215 H ASN 32 H ASN 32 -4.194 -4.811 3.712 216 HA ASN 32 HA ASN 32 -2.855 -2.269 4.327 217 HB2 ASN 32 1HB ASN 32 -4.031 -3.692 6.136 218 HB3 ASN 32 2HB ASN 32 -2.647 -4.771 5.986 219 HD21 ASN 32 1HD2 ASN 32 -2.130 -4.312 8.161 220 HD22 ASN 32 2HD2 ASN 32 -1.341 -2.838 8.595 221 H VAL 33 H VAL 33 -0.659 -2.053 4.202 222 HA VAL 33 HA VAL 33 0.804 -4.317 3.007 223 HB VAL 33 HB VAL 33 2.281 -2.651 1.943 224 HG11 VAL 33 1HG1 VAL 33 -0.611 -2.867 1.361 225 HG12 VAL 33 2HG1 VAL 33 0.283 -1.609 0.504 226 HG13 VAL 33 3HG1 VAL 33 0.782 -3.296 0.369 227 HG21 VAL 33 1HG2 VAL 33 2.297 -0.659 2.998 228 HG22 VAL 33 2HG2 VAL 33 0.976 -0.287 1.890 229 HG23 VAL 33 3HG2 VAL 33 0.625 -0.810 3.537 230 H LYS 34 H LYS 34 3.055 -4.517 3.543 231 HA LYS 34 HA LYS 34 3.972 -3.060 5.902 232 HB2 LYS 34 1HB LYS 34 4.531 -5.064 7.126 233 HB3 LYS 34 2HB LYS 34 2.819 -5.101 6.724 234 HG2 LYS 34 1HG LYS 34 3.083 -6.795 5.176 235 HG3 LYS 34 2HG LYS 34 4.801 -6.460 4.950 236 HD2 LYS 34 1HD LYS 34 5.174 -7.238 7.300 237 HD3 LYS 34 2HD LYS 34 3.483 -7.742 7.340 238 HE2 LYS 34 1HE LYS 34 3.819 -9.420 5.767 239 HE3 LYS 34 2HE LYS 34 5.299 -8.684 5.154 240 HZ1 LYS 34 1HZ LYS 34 5.016 -9.913 7.842 241 HZ2 LYS 34 2HZ LYS 34 6.439 -9.310 7.156 242 HZ3 LYS 34 3HZ LYS 34 5.701 -10.684 6.501 243 H GLY 35 H GLY 35 6.192 -2.890 6.072 244 HA2 GLY 35 1HA GLY 35 8.421 -3.625 5.521 245 HA3 GLY 35 2HA GLY 35 7.789 -4.262 4.010 246 H GLY 36 H GLY 36 10.043 -2.568 4.211 247 HA2 GLY 36 1HA GLY 36 9.709 -0.812 2.150 248 HA3 GLY 36 2HA GLY 36 9.269 0.126 3.569 249 H TYR 37 H TYR 37 11.197 1.323 2.527 250 HA TYR 37 HA TYR 37 13.808 0.342 2.755 251 HB2 TYR 37 1HB TYR 37 13.252 2.348 1.462 252 HB3 TYR 37 2HB TYR 37 12.834 3.200 2.944 253 HD1 TYR 37 2HD TYR 37 15.703 1.363 1.410 254 HD2 TYR 37 1HD TYR 37 14.433 4.552 3.925 255 HE1 TYR 37 2HE TYR 37 18.036 2.111 1.631 256 HE2 TYR 37 1HE TYR 37 16.762 5.309 4.151 257 HH TYR 37 HH TYR 37 18.901 4.840 3.721 258 H ASP 38 H ASP 38 11.663 1.784 5.105 259 HA ASP 38 HA ASP 38 13.466 2.496 7.097 260 HB2 ASP 38 1HB ASP 38 11.244 3.173 7.438 261 HB3 ASP 38 2HB ASP 38 10.614 1.549 7.175 262 H GLN 39 H GLN 39 11.992 -0.644 6.403 263 HA GLN 39 HA GLN 39 13.756 -1.856 8.423 264 HB2 GLN 39 1HB GLN 39 11.032 -2.524 7.430 265 HB3 GLN 39 2HB GLN 39 12.077 -3.860 7.895 266 HG2 GLN 39 1HG GLN 39 11.762 -1.565 9.761 267 HG3 GLN 39 2HG GLN 39 10.457 -2.741 9.619 268 HE21 GLN 39 1HE2 GLN 39 11.847 -2.337 11.977 269 HE22 GLN 39 2HE2 GLN 39 12.768 -3.753 12.338 270 H LYS 40 H LYS 40 14.470 -1.082 5.660 271 HA LYS 40 HA LYS 40 15.343 -1.967 3.718 272 HB2 LYS 40 1HB LYS 40 16.633 -3.268 6.061 273 HB3 LYS 40 2HB LYS 40 17.016 -3.910 4.470 274 HG2 LYS 40 1HG LYS 40 18.145 -2.040 3.831 275 HG3 LYS 40 2HG LYS 40 17.179 -0.973 4.852 276 HD2 LYS 40 1HD LYS 40 19.128 -0.953 6.038 277 HD3 LYS 40 2HD LYS 40 18.362 -2.360 6.777 278 HE2 LYS 40 1HE LYS 40 20.170 -2.615 4.394 279 HE3 LYS 40 2HE LYS 40 20.807 -2.572 6.038 280 HZ1 LYS 40 1HZ LYS 40 20.310 -4.701 6.270 281 HZ2 LYS 40 2HZ LYS 40 19.768 -4.759 4.669 282 HZ3 LYS 40 3HZ LYS 40 18.681 -4.409 5.917 283 H MET 41 H MET 41 12.776 -3.067 4.260 284 HA MET 41 HA MET 41 13.122 -5.732 3.060 285 HB2 MET 41 1HB MET 41 11.516 -6.701 4.415 286 HB3 MET 41 2HB MET 41 12.317 -5.613 5.540 287 HG2 MET 41 1HG MET 41 10.551 -4.031 5.396 288 HG3 MET 41 2HG MET 41 9.809 -4.896 4.051 289 HE1 MET 41 1HE MET 41 9.003 -7.605 4.451 290 HE2 MET 41 2HE MET 41 7.646 -7.500 5.573 291 HE3 MET 41 3HE MET 41 7.858 -6.269 4.326 292 HA PRO 42 HA PRO 42 10.428 -4.395 -0.137 293 HB2 PRO 42 1HB PRO 42 9.183 -6.719 -0.785 294 HB3 PRO 42 2HB PRO 42 10.874 -6.391 -1.185 295 HG2 PRO 42 1HG PRO 42 9.738 -7.983 1.082 296 HG3 PRO 42 2HG PRO 42 11.120 -8.356 0.034 297 HD2 PRO 42 1HD PRO 42 11.414 -7.347 2.530 298 HD3 PRO 42 2HD PRO 42 12.544 -6.978 1.211 299 H VAL 43 H VAL 43 8.236 -3.982 -0.684 300 HA VAL 43 HA VAL 43 6.467 -3.958 1.631 301 HB VAL 43 HB VAL 43 6.046 -2.701 -1.083 302 HG11 VAL 43 1HG1 VAL 43 4.614 -2.442 1.550 303 HG12 VAL 43 2HG1 VAL 43 4.446 -1.265 0.246 304 HG13 VAL 43 3HG1 VAL 43 3.952 -2.939 -0.007 305 HG21 VAL 43 1HG2 VAL 43 6.550 -0.596 0.421 306 HG22 VAL 43 2HG2 VAL 43 7.471 -1.771 1.361 307 HG23 VAL 43 3HG2 VAL 43 7.855 -1.506 -0.340 308 H ILE 44 H ILE 44 5.089 -5.570 1.931 309 HA ILE 44 HA ILE 44 3.749 -6.739 -0.408 310 HB ILE 44 HB ILE 44 4.858 -8.312 1.919 311 HG12 ILE 44 1HG1 ILE 44 5.982 -9.446 -0.215 312 HG13 ILE 44 2HG1 ILE 44 5.756 -7.834 -0.883 313 HG21 ILE 44 1HG2 ILE 44 2.584 -8.916 0.660 314 HG22 ILE 44 2HG2 ILE 44 3.727 -9.649 -0.466 315 HG23 ILE 44 3HG2 ILE 44 3.715 -10.145 1.227 316 HD11 ILE 44 1HD1 ILE 44 7.985 -8.294 0.179 317 HD12 ILE 44 2HD1 ILE 44 7.138 -6.861 0.761 318 HD13 ILE 44 3HD1 ILE 44 7.146 -8.335 1.729 319 H VAL 45 H VAL 45 1.604 -7.079 -0.181 320 HA VAL 45 HA VAL 45 0.112 -5.775 1.737 321 HB VAL 45 HB VAL 45 -0.656 -8.186 0.089 322 HG11 VAL 45 1HG1 VAL 45 -2.949 -7.705 0.588 323 HG12 VAL 45 2HG1 VAL 45 -2.080 -7.879 2.114 324 HG13 VAL 45 3HG1 VAL 45 -2.499 -6.274 1.514 325 HG21 VAL 45 1HG2 VAL 45 -0.119 -6.388 -1.345 326 HG22 VAL 45 2HG2 VAL 45 -1.879 -6.396 -1.225 327 HG23 VAL 45 3HG2 VAL 45 -0.938 -5.217 -0.310 328 H SER 46 H SER 46 0.043 -6.089 3.856 329 HA SER 46 HA SER 46 0.869 -8.493 5.117 330 HB2 SER 46 1HB SER 46 -0.350 -7.256 7.136 331 HB3 SER 46 2HB SER 46 1.209 -6.705 6.522 332 HG SER 46 HG SER 46 -0.764 -5.188 6.774 333 H ARG 47 H ARG 47 -2.328 -6.903 5.157 334 HA ARG 47 HA ARG 47 -3.611 -9.509 4.908 335 HB2 ARG 47 1HB ARG 47 -3.238 -8.692 7.402 336 HB3 ARG 47 2HB ARG 47 -4.659 -7.718 7.051 337 HG2 ARG 47 1HG ARG 47 -4.766 -10.608 6.392 338 HG3 ARG 47 2HG ARG 47 -4.840 -10.137 8.091 339 HD2 ARG 47 1HD ARG 47 -6.604 -8.877 6.013 340 HD3 ARG 47 2HD ARG 47 -7.049 -10.376 6.826 341 HE ARG 47 HE ARG 47 -7.043 -7.720 7.950 342 HH11 ARG 47 2HH1 ARG 47 -6.992 -11.138 8.608 343 HH12 ARG 47 1HH1 ARG 47 -7.630 -10.971 10.210 344 HH21 ARG 47 2HH2 ARG 47 -7.884 -7.487 10.057 345 HH22 ARG 47 1HH2 ARG 47 -8.138 -8.894 11.033 346 H VAL 48 H VAL 48 -5.733 -9.422 4.127 347 HA VAL 48 HA VAL 48 -6.632 -6.759 3.236 348 HB VAL 48 HB VAL 48 -6.876 -9.356 1.710 349 HG11 VAL 48 1HG1 VAL 48 -8.745 -7.575 1.558 350 HG12 VAL 48 2HG1 VAL 48 -7.560 -6.646 0.637 351 HG13 VAL 48 3HG1 VAL 48 -8.072 -8.236 0.068 352 HG21 VAL 48 1HG2 VAL 48 -5.217 -8.602 0.266 353 HG22 VAL 48 2HG2 VAL 48 -5.366 -6.930 0.808 354 HG23 VAL 48 3HG2 VAL 48 -4.605 -8.131 1.852 355 H ALA 49 H ALA 49 -8.522 -6.209 4.078 356 HA ALA 49 HA ALA 49 -10.180 -8.121 5.432 357 HB1 ALA 49 1HB ALA 49 -11.560 -5.673 5.146 358 HB2 ALA 49 2HB ALA 49 -10.732 -6.301 6.571 359 HB3 ALA 49 3HB ALA 49 -9.861 -5.289 5.420 360 HA PRO 50 HA PRO 50 -12.864 -9.204 2.114 361 HB2 PRO 50 1HB PRO 50 -15.041 -9.957 3.552 362 HB3 PRO 50 2HB PRO 50 -13.571 -10.934 3.451 363 HG2 PRO 50 1HG PRO 50 -14.462 -9.070 5.617 364 HG3 PRO 50 2HG PRO 50 -13.731 -10.679 5.757 365 HD2 PRO 50 1HD PRO 50 -12.309 -8.400 6.094 366 HD3 PRO 50 2HD PRO 50 -11.597 -9.879 5.417 367 H GLY 51 H GLY 51 -15.168 -8.793 1.361 368 HA2 GLY 51 1HA GLY 51 -16.689 -7.241 0.613 369 HA3 GLY 51 2HA GLY 51 -16.819 -6.792 2.307 370 H THR 52 H THR 52 -14.115 -6.455 0.028 371 HA THR 52 HA THR 52 -14.335 -3.534 0.308 372 HB THR 52 HB THR 52 -11.766 -3.527 0.240 373 HG1 THR 52 1HG THR 52 -10.968 -5.523 1.330 374 HG21 THR 52 1HG2 THR 52 -11.834 -4.328 2.811 375 HG22 THR 52 2HG2 THR 52 -13.559 -4.116 2.513 376 HG23 THR 52 3HG2 THR 52 -12.449 -2.769 2.263 377 HA PRO 53 HA PRO 53 -13.838 -3.326 -4.049 378 HB2 PRO 53 1HB PRO 53 -12.493 -0.984 -4.325 379 HB3 PRO 53 2HB PRO 53 -14.199 -1.065 -3.867 380 HG2 PRO 53 1HG PRO 53 -11.788 -0.687 -2.133 381 HG3 PRO 53 2HG PRO 53 -13.353 0.144 -2.069 382 HD2 PRO 53 1HD PRO 53 -12.706 -1.877 -0.387 383 HD3 PRO 53 2HD PRO 53 -14.368 -1.589 -0.939 384 H ALA 54 H ALA 54 -11.200 -3.721 -1.985 385 HA ALA 54 HA ALA 54 -9.218 -3.769 -4.128 386 HB1 ALA 54 1HB ALA 54 -8.158 -2.831 -2.353 387 HB2 ALA 54 2HB ALA 54 -9.115 -3.721 -1.167 388 HB3 ALA 54 3HB ALA 54 -7.791 -4.523 -2.013 389 H ASP 55 H ASP 55 -11.265 -5.891 -2.388 390 HA ASP 55 HA ASP 55 -9.674 -8.238 -3.130 391 HB2 ASP 55 1HB ASP 55 -10.778 -7.818 -0.786 392 HB3 ASP 55 2HB ASP 55 -12.236 -8.401 -1.585 393 H LEU 56 H LEU 56 -13.136 -7.364 -3.148 394 HA LEU 56 HA LEU 56 -14.074 -9.267 -4.868 395 HB2 LEU 56 1HB LEU 56 -14.931 -6.378 -4.855 396 HB3 LEU 56 2HB LEU 56 -15.880 -7.750 -5.425 397 HG LEU 56 HG LEU 56 -14.981 -7.728 -2.585 398 HD11 LEU 56 1HD1 LEU 56 -16.433 -5.579 -3.717 399 HD12 LEU 56 2HD1 LEU 56 -16.087 -5.896 -2.017 400 HD13 LEU 56 3HD1 LEU 56 -17.556 -6.537 -2.752 401 HD21 LEU 56 1HD2 LEU 56 -16.627 -9.248 -2.296 402 HD22 LEU 56 2HD2 LEU 56 -16.411 -9.480 -4.032 403 HD23 LEU 56 3HD2 LEU 56 -17.715 -8.451 -3.434 404 H CYS 57 H CYS 57 -11.963 -6.669 -5.604 405 HA CYS 57 HA CYS 57 -12.521 -6.410 -8.372 406 HB2 CYS 57 1HB CYS 57 -10.662 -5.009 -8.475 407 HB3 CYS 57 2HB CYS 57 -11.174 -4.843 -6.800 408 HG CYS 57 HG CYS 57 -9.207 -7.141 -6.323 409 H VAL 58 H VAL 58 -10.825 -6.929 -10.064 410 HA VAL 58 HA VAL 58 -9.558 -9.533 -9.554 411 HB VAL 58 HB VAL 58 -11.463 -10.218 -10.724 412 HG11 VAL 58 1HG1 VAL 58 -12.393 -8.104 -11.339 413 HG12 VAL 58 2HG1 VAL 58 -11.081 -7.798 -12.478 414 HG13 VAL 58 3HG1 VAL 58 -12.251 -9.078 -12.801 415 HG21 VAL 58 1HG2 VAL 58 -9.404 -9.733 -12.873 416 HG22 VAL 58 2HG2 VAL 58 -9.350 -11.049 -11.700 417 HG23 VAL 58 3HG2 VAL 58 -10.661 -10.970 -12.877 418 HA PRO 59 HA PRO 59 -8.096 -10.815 -10.162 419 HB2 PRO 59 1HB PRO 59 -5.540 -10.889 -9.249 420 HB3 PRO 59 2HB PRO 59 -5.980 -11.311 -10.908 421 HG2 PRO 59 1HG PRO 59 -4.860 -8.749 -9.839 422 HG3 PRO 59 2HG PRO 59 -4.427 -9.630 -11.316 423 HD2 PRO 59 1HD PRO 59 -6.050 -7.463 -11.335 424 HD3 PRO 59 2HD PRO 59 -6.228 -8.799 -12.490 425 H ARG 60 H ARG 60 -8.744 -11.219 -8.133 426 HA ARG 60 HA ARG 60 -9.108 -9.223 -6.235 427 HB2 ARG 60 1HB ARG 60 -10.462 -11.148 -6.051 428 HB3 ARG 60 2HB ARG 60 -9.071 -12.224 -6.025 429 HG2 ARG 60 1HG ARG 60 -8.462 -11.115 -3.814 430 HG3 ARG 60 2HG ARG 60 -10.094 -10.444 -3.842 431 HD2 ARG 60 1HD ARG 60 -11.080 -12.593 -3.785 432 HD3 ARG 60 2HD ARG 60 -9.546 -13.384 -4.144 433 HE ARG 60 HE ARG 60 -9.596 -11.880 -1.677 434 HH11 ARG 60 2HH1 ARG 60 -10.094 -14.965 -3.211 435 HH12 ARG 60 1HH1 ARG 60 -9.876 -15.873 -1.751 436 HH21 ARG 60 2HH2 ARG 60 -9.307 -13.063 0.251 437 HH22 ARG 60 1HH2 ARG 60 -9.429 -14.790 0.217 438 H LEU 61 H LEU 61 -7.680 -8.156 -5.050 439 HA LEU 61 HA LEU 61 -4.967 -8.924 -4.813 440 HB2 LEU 61 1HB LEU 61 -5.893 -6.586 -4.731 441 HB3 LEU 61 2HB LEU 61 -6.430 -6.936 -3.090 442 HG LEU 61 HG LEU 61 -3.882 -7.514 -2.738 443 HD11 LEU 61 1HD1 LEU 61 -3.027 -7.268 -4.904 444 HD12 LEU 61 2HD1 LEU 61 -2.549 -5.793 -4.065 445 HD13 LEU 61 3HD1 LEU 61 -3.915 -5.769 -5.180 446 HD21 LEU 61 1HD2 LEU 61 -3.862 -4.705 -2.701 447 HD22 LEU 61 2HD2 LEU 61 -4.210 -5.802 -1.365 448 HD23 LEU 61 3HD2 LEU 61 -5.524 -5.195 -2.373 449 H ASN 62 H ASN 62 -4.349 -10.648 -3.681 450 HA ASN 62 HA ASN 62 -5.604 -11.130 -1.062 451 HB2 ASN 62 1HB ASN 62 -4.587 -13.470 -1.374 452 HB3 ASN 62 2HB ASN 62 -5.977 -13.050 -2.371 453 HD21 ASN 62 1HD2 ASN 62 -5.797 -13.641 -4.396 454 HD22 ASN 62 2HD2 ASN 62 -4.330 -13.770 -5.299 455 H GLU 63 H GLU 63 -4.409 -10.888 0.712 456 HA GLU 63 HA GLU 63 -2.067 -9.655 0.987 457 HB2 GLU 63 1HB GLU 63 -1.650 -11.189 3.034 458 HB3 GLU 63 2HB GLU 63 -3.100 -10.196 2.998 459 HG2 GLU 63 1HG GLU 63 -3.940 -12.208 3.694 460 HG3 GLU 63 2HG GLU 63 -4.195 -12.309 1.953 461 H GLY 64 H GLY 64 0.146 -10.154 1.139 462 HA2 GLY 64 1HA GLY 64 1.991 -11.670 0.994 463 HA3 GLY 64 2HA GLY 64 0.962 -12.784 0.105 464 H ASP 65 H ASP 65 0.091 -10.123 -1.339 465 HA ASP 65 HA ASP 65 1.837 -10.528 -3.583 466 HB2 ASP 65 1HB ASP 65 0.466 -8.572 -4.531 467 HB3 ASP 65 2HB ASP 65 -0.393 -10.068 -4.174 468 H GLN 66 H GLN 66 3.644 -9.466 -4.058 469 HA GLN 66 HA GLN 66 4.493 -7.289 -2.332 470 HB2 GLN 66 1HB GLN 66 6.101 -9.042 -2.786 471 HB3 GLN 66 2HB GLN 66 5.926 -8.804 -4.519 472 HG2 GLN 66 1HG GLN 66 6.960 -6.652 -4.394 473 HG3 GLN 66 2HG GLN 66 6.972 -6.709 -2.632 474 HE21 GLN 66 1HE2 GLN 66 9.292 -6.176 -3.765 475 HE22 GLN 66 2HE2 GLN 66 10.357 -7.535 -3.721 476 H VAL 67 H VAL 67 4.328 -5.213 -2.846 477 HA VAL 67 HA VAL 67 3.368 -4.450 -5.468 478 HB VAL 67 HB VAL 67 4.077 -2.572 -3.223 479 HG11 VAL 67 1HG1 VAL 67 3.089 -0.977 -4.441 480 HG12 VAL 67 2HG1 VAL 67 3.271 -2.092 -5.797 481 HG13 VAL 67 3HG1 VAL 67 1.752 -2.030 -4.903 482 HG21 VAL 67 1HG2 VAL 67 2.500 -4.531 -2.612 483 HG22 VAL 67 2HG2 VAL 67 2.020 -2.886 -2.195 484 HG23 VAL 67 3HG2 VAL 67 1.322 -3.677 -3.608 485 H VAL 68 H VAL 68 4.877 -4.415 -7.026 486 HA VAL 68 HA VAL 68 7.610 -3.742 -6.566 487 HB VAL 68 HB VAL 68 6.128 -3.899 -9.194 488 HG11 VAL 68 1HG1 VAL 68 8.035 -3.100 -10.029 489 HG12 VAL 68 2HG1 VAL 68 8.873 -3.273 -8.486 490 HG13 VAL 68 3HG1 VAL 68 8.758 -4.646 -9.588 491 HG21 VAL 68 1HG2 VAL 68 7.628 -6.005 -7.643 492 HG22 VAL 68 2HG2 VAL 68 5.907 -5.991 -8.027 493 HG23 VAL 68 3HG2 VAL 68 7.096 -6.185 -9.315 494 H LEU 69 H LEU 69 4.908 -2.058 -8.150 495 HA LEU 69 HA LEU 69 6.129 0.493 -7.481 496 HB2 LEU 69 1HB LEU 69 5.472 -0.311 -10.309 497 HB3 LEU 69 2HB LEU 69 5.825 1.338 -9.798 498 HG LEU 69 HG LEU 69 7.820 -0.853 -9.352 499 HD11 LEU 69 1HD1 LEU 69 7.484 -1.134 -11.642 500 HD12 LEU 69 2HD1 LEU 69 8.835 -0.005 -11.546 501 HD13 LEU 69 3HD1 LEU 69 7.215 0.588 -11.911 502 HD21 LEU 69 1HD2 LEU 69 7.992 1.463 -8.327 503 HD22 LEU 69 2HD2 LEU 69 8.249 2.059 -9.967 504 HD23 LEU 69 3HD2 LEU 69 9.382 0.907 -9.259 505 H ILE 70 H ILE 70 4.665 2.161 -7.276 506 HA ILE 70 HA ILE 70 1.852 1.348 -7.315 507 HB ILE 70 HB ILE 70 3.303 3.585 -5.922 508 HG12 ILE 70 1HG1 ILE 70 1.471 1.467 -4.796 509 HG13 ILE 70 2HG1 ILE 70 3.205 1.225 -4.977 510 HG21 ILE 70 1HG2 ILE 70 0.781 3.833 -5.001 511 HG22 ILE 70 2HG2 ILE 70 1.453 4.813 -6.304 512 HG23 ILE 70 3HG2 ILE 70 0.465 3.402 -6.682 513 HD11 ILE 70 1HD1 ILE 70 3.536 2.202 -3.027 514 HD12 ILE 70 2HD1 ILE 70 2.804 3.686 -3.637 515 HD13 ILE 70 3HD1 ILE 70 1.800 2.463 -2.858 516 H ASN 71 H ASN 71 0.964 1.710 -9.261 517 HA ASN 71 HA ASN 71 0.373 2.746 -11.210 518 HB2 ASN 71 1HB ASN 71 -0.527 4.993 -10.930 519 HB3 ASN 71 2HB ASN 71 -0.957 3.998 -9.541 520 HD21 ASN 71 1HD2 ASN 71 -0.709 4.925 -7.652 521 HD22 ASN 71 2HD2 ASN 71 0.394 6.201 -7.276 522 H GLY 72 H GLY 72 3.162 2.439 -10.944 523 HA2 GLY 72 1HA GLY 72 4.979 3.061 -12.239 524 HA3 GLY 72 2HA GLY 72 4.035 4.410 -12.852 525 H ARG 73 H ARG 73 4.931 3.570 -9.520 526 HA ARG 73 HA ARG 73 6.595 5.982 -9.402 527 HB2 ARG 73 1HB ARG 73 4.367 5.282 -7.486 528 HB3 ARG 73 2HB ARG 73 5.592 6.500 -7.160 529 HG2 ARG 73 1HG ARG 73 4.044 6.717 -9.684 530 HG3 ARG 73 2HG ARG 73 3.240 7.127 -8.167 531 HD2 ARG 73 1HD ARG 73 4.123 9.162 -8.796 532 HD3 ARG 73 2HD ARG 73 5.382 8.539 -7.731 533 HE ARG 73 HE ARG 73 6.796 8.402 -9.530 534 HH11 ARG 73 2HH1 ARG 73 3.533 8.851 -10.658 535 HH12 ARG 73 1HH1 ARG 73 3.999 9.107 -12.307 536 HH21 ARG 73 2HH2 ARG 73 7.422 8.737 -11.698 537 HH22 ARG 73 1HH2 ARG 73 6.211 9.040 -12.898 538 H ASP 74 H ASP 74 8.525 5.502 -8.609 539 HA ASP 74 HA ASP 74 9.143 2.962 -7.521 540 HB2 ASP 74 1HB ASP 74 10.706 4.531 -8.784 541 HB3 ASP 74 2HB ASP 74 10.861 5.430 -7.277 542 H ILE 75 H ILE 75 8.576 2.290 -5.567 543 HA ILE 75 HA ILE 75 8.868 4.149 -3.306 544 HB ILE 75 HB ILE 75 6.889 3.084 -2.239 545 HG12 ILE 75 1HG1 ILE 75 5.305 2.044 -4.079 546 HG13 ILE 75 2HG1 ILE 75 6.830 1.674 -4.876 547 HG21 ILE 75 1HG2 ILE 75 6.178 4.346 -4.877 548 HG22 ILE 75 2HG2 ILE 75 5.280 4.420 -3.361 549 HG23 ILE 75 3HG2 ILE 75 6.827 5.254 -3.511 550 HD11 ILE 75 1HD1 ILE 75 5.580 0.093 -3.050 551 HD12 ILE 75 2HD1 ILE 75 7.294 0.016 -3.460 552 HD13 ILE 75 3HD1 ILE 75 6.764 0.937 -2.053 553 H ALA 76 H ALA 76 10.269 1.671 -4.597 554 HA ALA 76 HA ALA 76 10.197 -0.387 -2.654 555 HB1 ALA 76 1HB ALA 76 11.299 -1.426 -4.272 556 HB2 ALA 76 2HB ALA 76 11.512 0.099 -5.133 557 HB3 ALA 76 3HB ALA 76 12.710 -0.419 -3.948 558 H GLU 77 H GLU 77 12.430 2.324 -3.191 559 HA GLU 77 HA GLU 77 13.827 1.689 -0.708 560 HB2 GLU 77 1HB GLU 77 14.390 3.849 -2.747 561 HB3 GLU 77 2HB GLU 77 15.418 3.419 -1.387 562 HG2 GLU 77 1HG GLU 77 14.702 1.522 -3.606 563 HG3 GLU 77 2HG GLU 77 16.154 2.521 -3.592 564 H HIS 78 H HIS 78 11.057 2.700 -0.743 565 HA HIS 78 HA HIS 78 11.434 5.289 0.605 566 HB2 HIS 78 1HB HIS 78 9.780 4.869 -1.423 567 HB3 HIS 78 2HB HIS 78 8.723 4.284 -0.142 568 HD1 HIS 78 1HD HIS 78 7.302 6.447 -1.036 569 HD2 HIS 78 2HD HIS 78 10.753 7.206 1.150 570 HE1 HIS 78 1HE HIS 78 7.091 8.828 -0.252 571 HE2 HIS 78 2HE HIS 78 9.229 9.291 0.996 572 H THR 79 H THR 79 10.464 5.666 2.617 573 HA THR 79 HA THR 79 10.511 3.504 4.419 574 HB THR 79 HB THR 79 9.631 5.079 6.088 575 HG1 THR 79 1HG THR 79 8.291 6.162 4.313 576 HG21 THR 79 1HG2 THR 79 11.912 5.354 5.949 577 HG22 THR 79 2HG2 THR 79 11.367 6.983 5.547 578 HG23 THR 79 3HG2 THR 79 11.855 5.874 4.265 579 H HIS 80 H HIS 80 8.685 2.924 5.892 580 HA HIS 80 HA HIS 80 6.485 1.971 4.363 581 HB2 HIS 80 1HB HIS 80 7.140 0.593 6.160 582 HB3 HIS 80 2HB HIS 80 7.151 1.937 7.299 583 HD1 HIS 80 1HD HIS 80 4.986 -0.687 5.890 584 HD2 HIS 80 2HD HIS 80 4.535 2.777 8.140 585 HE1 HIS 80 1HE HIS 80 2.667 -0.810 6.856 586 HE2 HIS 80 2HE HIS 80 2.387 1.337 8.143 587 H ASP 81 H ASP 81 6.634 4.264 7.093 588 HA ASP 81 HA ASP 81 4.053 5.072 7.265 589 HB2 ASP 81 1HB ASP 81 6.551 6.764 7.423 590 HB3 ASP 81 2HB ASP 81 4.954 7.358 7.871 591 H GLN 82 H GLN 82 6.426 6.251 4.907 592 HA GLN 82 HA GLN 82 4.737 8.130 3.662 593 HB2 GLN 82 1HB GLN 82 7.185 6.656 2.703 594 HB3 GLN 82 2HB GLN 82 6.357 7.853 1.716 595 HG2 GLN 82 1HG GLN 82 7.700 8.296 4.369 596 HG3 GLN 82 2HG GLN 82 8.212 8.898 2.793 597 HE21 GLN 82 1HE2 GLN 82 5.714 9.120 5.252 598 HE22 GLN 82 2HE2 GLN 82 5.188 10.713 4.840 599 H VAL 83 H VAL 83 5.813 4.998 2.333 600 HA VAL 83 HA VAL 83 4.266 4.717 0.167 601 HB VAL 83 HB VAL 83 4.778 2.603 2.259 602 HG11 VAL 83 1HG1 VAL 83 4.370 1.462 -0.303 603 HG12 VAL 83 2HG1 VAL 83 3.431 1.214 1.171 604 HG13 VAL 83 3HG1 VAL 83 2.991 2.503 0.049 605 HG21 VAL 83 1HG2 VAL 83 6.651 3.792 0.899 606 HG22 VAL 83 2HG2 VAL 83 6.674 2.037 1.063 607 HG23 VAL 83 3HG2 VAL 83 6.083 2.776 -0.425 608 H VAL 84 H VAL 84 3.127 3.684 3.390 609 HA VAL 84 HA VAL 84 0.549 2.998 2.783 610 HB VAL 84 HB VAL 84 1.509 4.443 5.256 611 HG11 VAL 84 1HG1 VAL 84 -0.698 2.769 5.809 612 HG12 VAL 84 2HG1 VAL 84 -0.602 4.526 5.938 613 HG13 VAL 84 3HG1 VAL 84 -1.140 3.779 4.433 614 HG21 VAL 84 1HG2 VAL 84 2.702 2.452 5.169 615 HG22 VAL 84 2HG2 VAL 84 1.300 2.027 6.151 616 HG23 VAL 84 3HG2 VAL 84 1.360 1.562 4.450 617 H LEU 85 H LEU 85 1.795 6.251 3.437 618 HA LEU 85 HA LEU 85 -0.741 7.532 3.213 619 HB2 LEU 85 1HB LEU 85 2.099 8.455 3.288 620 HB3 LEU 85 2HB LEU 85 0.822 9.586 2.849 621 HG LEU 85 HG LEU 85 0.833 8.034 5.430 622 HD11 LEU 85 1HD1 LEU 85 1.993 10.731 4.785 623 HD12 LEU 85 2HD1 LEU 85 2.790 9.350 5.538 624 HD13 LEU 85 3HD1 LEU 85 1.550 10.242 6.420 625 HD21 LEU 85 1HD2 LEU 85 -0.876 10.113 4.189 626 HD22 LEU 85 2HD2 LEU 85 -0.580 10.236 5.923 627 HD23 LEU 85 3HD2 LEU 85 -1.307 8.775 5.254 628 H PHE 86 H PHE 86 1.882 6.828 0.983 629 HA PHE 86 HA PHE 86 1.298 8.441 -1.152 630 HB2 PHE 86 1HB PHE 86 3.119 6.596 -0.851 631 HB3 PHE 86 2HB PHE 86 1.936 5.548 -1.626 632 HD1 PHE 86 2HD PHE 86 0.787 6.906 -3.753 633 HD2 PHE 86 1HD PHE 86 4.755 7.317 -2.270 634 HE1 PHE 86 2HE PHE 86 1.525 7.705 -5.959 635 HE2 PHE 86 1HE PHE 86 5.500 8.117 -4.474 636 HZ PHE 86 HZ PHE 86 3.884 8.311 -6.323 637 H ILE 87 H ILE 87 -0.087 5.215 -0.544 638 HA ILE 87 HA ILE 87 -1.802 5.086 -2.714 639 HB ILE 87 HB ILE 87 -2.196 3.972 0.064 640 HG12 ILE 87 1HG1 ILE 87 -1.437 2.398 -2.372 641 HG13 ILE 87 2HG1 ILE 87 -0.204 3.307 -1.505 642 HG21 ILE 87 1HG2 ILE 87 -3.530 2.494 -2.001 643 HG22 ILE 87 2HG2 ILE 87 -4.191 3.200 -0.527 644 HG23 ILE 87 3HG2 ILE 87 -4.084 4.168 -1.997 645 HD11 ILE 87 1HD1 ILE 87 -1.792 1.761 0.323 646 HD12 ILE 87 2HD1 ILE 87 -1.118 0.741 -0.949 647 HD13 ILE 87 3HD1 ILE 87 -0.051 1.736 0.042 648 H LYS 88 H LYS 88 -2.594 6.204 0.580 649 HA LYS 88 HA LYS 88 -5.203 6.937 0.247 650 HB2 LYS 88 1HB LYS 88 -2.986 8.125 1.882 651 HB3 LYS 88 2HB LYS 88 -4.578 8.874 1.882 652 HG2 LYS 88 1HG LYS 88 -5.584 6.868 2.732 653 HG3 LYS 88 2HG LYS 88 -4.058 5.993 2.584 654 HD2 LYS 88 1HD LYS 88 -3.147 7.865 4.149 655 HD3 LYS 88 2HD LYS 88 -4.850 8.113 4.542 656 HE2 LYS 88 1HE LYS 88 -3.504 5.425 4.690 657 HE3 LYS 88 2HE LYS 88 -3.570 6.540 6.054 658 HZ1 LYS 88 1HZ LYS 88 -5.412 5.258 6.421 659 HZ2 LYS 88 2HZ LYS 88 -5.745 5.038 4.777 660 HZ3 LYS 88 3HZ LYS 88 -6.101 6.515 5.521 661 H ALA 89 H ALA 89 -2.419 9.112 -0.262 662 HA ALA 89 HA ALA 89 -3.559 11.390 -1.099 663 HB1 ALA 89 1HB ALA 89 -1.667 11.665 -2.704 664 HB2 ALA 89 2HB ALA 89 -1.179 11.178 -1.081 665 HB3 ALA 89 3HB ALA 89 -1.221 9.989 -2.383 666 H SER 90 H SER 90 -3.024 8.593 -3.242 667 HA SER 90 HA SER 90 -3.899 9.400 -5.630 668 HB2 SER 90 1HB SER 90 -5.018 6.884 -4.384 669 HB3 SER 90 2HB SER 90 -4.684 7.184 -6.089 670 HG SER 90 HG SER 90 -2.428 7.417 -5.403 671 H CYS 91 H CYS 91 -6.061 8.602 -2.931 672 HA CYS 91 HA CYS 91 -8.424 9.315 -4.401 673 HB2 CYS 91 1HB CYS 91 -8.444 7.602 -2.611 674 HB3 CYS 91 2HB CYS 91 -8.071 8.853 -1.432 675 HG CYS 91 HG CYS 91 -10.460 9.989 -1.323 676 H GLU 92 H GLU 92 -6.573 10.773 -1.740 677 HA GLU 92 HA GLU 92 -8.083 12.969 -1.161 678 HB2 GLU 92 1HB GLU 92 -5.091 12.667 -1.337 679 HB3 GLU 92 2HB GLU 92 -5.843 14.155 -0.779 680 HG2 GLU 92 1HG GLU 92 -6.987 12.861 0.991 681 HG3 GLU 92 2HG GLU 92 -6.104 11.429 0.467 682 H ARG 93 H ARG 93 -5.681 12.728 -3.774 683 HA ARG 93 HA ARG 93 -6.192 15.342 -4.781 684 HB2 ARG 93 1HB ARG 93 -4.833 14.641 -6.702 685 HB3 ARG 93 2HB ARG 93 -4.060 14.223 -5.179 686 HG2 ARG 93 1HG ARG 93 -5.211 11.918 -5.540 687 HG3 ARG 93 2HG ARG 93 -5.304 12.443 -7.222 688 HD2 ARG 93 1HD ARG 93 -2.757 12.440 -5.615 689 HD3 ARG 93 2HD ARG 93 -3.272 11.088 -6.623 690 HE ARG 93 HE ARG 93 -3.319 13.358 -8.219 691 HH11 ARG 93 2HH1 ARG 93 -0.978 11.481 -6.453 692 HH12 ARG 93 1HH1 ARG 93 0.329 11.862 -7.524 693 HH21 ARG 93 2HH2 ARG 93 -1.606 13.867 -9.636 694 HH22 ARG 93 1HH2 ARG 93 -0.029 13.220 -9.333 695 H HIS 94 H HIS 94 -6.792 15.553 -7.210 696 HA HIS 94 HA HIS 94 -9.491 14.952 -7.510 697 HB2 HIS 94 1HB HIS 94 -8.217 16.730 -8.742 698 HB3 HIS 94 2HB HIS 94 -7.546 15.464 -9.767 699 HD1 HIS 94 1HD HIS 94 -9.865 17.938 -10.131 700 HD2 HIS 94 2HD HIS 94 -10.142 13.823 -10.629 701 HE1 HIS 94 1HE HIS 94 -11.833 17.576 -11.655 702 HE2 HIS 94 2HE HIS 94 -12.033 15.075 -11.873 703 H SER 95 H SER 95 -6.718 13.429 -9.156 704 HA SER 95 HA SER 95 -7.828 11.584 -10.734 705 HB2 SER 95 1HB SER 95 -5.594 11.039 -8.764 706 HB3 SER 95 2HB SER 95 -5.974 10.031 -10.160 707 HG SER 95 HG SER 95 -4.896 12.624 -10.074 708 H GLY 96 H GLY 96 -9.071 9.798 -10.628 709 HA2 GLY 96 1HA GLY 96 -9.752 8.785 -7.936 710 HA3 GLY 96 2HA GLY 96 -10.971 9.031 -9.177 711 H GLU 97 H GLU 97 -7.950 7.260 -8.561 712 HA GLU 97 HA GLU 97 -9.059 4.769 -9.296 713 HB2 GLU 97 1HB GLU 97 -7.962 4.338 -11.388 714 HB3 GLU 97 2HB GLU 97 -8.895 5.819 -11.555 715 HG2 GLU 97 1HG GLU 97 -6.713 7.036 -11.013 716 HG3 GLU 97 2HG GLU 97 -5.927 5.491 -11.335 717 H LEU 98 H LEU 98 -7.700 3.060 -8.802 718 HA LEU 98 HA LEU 98 -5.045 3.799 -7.757 719 HB2 LEU 98 1HB LEU 98 -7.023 3.102 -6.157 720 HB3 LEU 98 2HB LEU 98 -6.538 1.478 -6.641 721 HG LEU 98 HG LEU 98 -5.538 2.151 -4.506 722 HD11 LEU 98 1HD1 LEU 98 -4.239 1.041 -6.728 723 HD12 LEU 98 2HD1 LEU 98 -3.817 0.856 -5.026 724 HD13 LEU 98 3HD1 LEU 98 -3.080 2.141 -5.982 725 HD21 LEU 98 1HD2 LEU 98 -4.078 3.962 -4.267 726 HD22 LEU 98 2HD2 LEU 98 -5.422 4.609 -5.209 727 HD23 LEU 98 3HD2 LEU 98 -3.910 4.176 -6.010 728 H MET 99 H MET 99 -3.365 2.685 -8.529 729 HA MET 99 HA MET 99 -3.861 0.093 -9.821 730 HB2 MET 99 1HB MET 99 -2.497 2.501 -10.970 731 HB3 MET 99 2HB MET 99 -2.000 0.891 -11.474 732 HG2 MET 99 1HG MET 99 -4.113 0.412 -12.388 733 HG3 MET 99 2HG MET 99 -4.856 1.797 -11.591 734 HE1 MET 99 1HE MET 99 -3.518 1.664 -15.782 735 HE2 MET 99 2HE MET 99 -2.946 0.451 -14.636 736 HE3 MET 99 3HE MET 99 -4.677 0.733 -14.832 737 H LEU 100 H LEU 100 -2.682 -1.400 -8.836 738 HA LEU 100 HA LEU 100 -0.049 -0.631 -7.759 739 HB2 LEU 100 1HB LEU 100 -1.716 -2.915 -6.749 740 HB3 LEU 100 2HB LEU 100 -0.323 -2.156 -5.982 741 HG LEU 100 HG LEU 100 -2.840 -0.593 -6.412 742 HD11 LEU 100 1HD1 LEU 100 -3.312 -2.825 -5.276 743 HD12 LEU 100 2HD1 LEU 100 -3.810 -1.363 -4.425 744 HD13 LEU 100 3HD1 LEU 100 -2.344 -2.212 -3.934 745 HD21 LEU 100 1HD2 LEU 100 -0.428 -0.450 -4.652 746 HD22 LEU 100 2HD2 LEU 100 -1.935 0.320 -4.154 747 HD23 LEU 100 3HD2 LEU 100 -1.156 0.800 -5.663 748 H LEU 101 H LEU 101 1.669 -1.664 -8.544 749 HA LEU 101 HA LEU 101 1.246 -3.832 -10.442 750 HB2 LEU 101 1HB LEU 101 2.765 -1.752 -10.755 751 HB3 LEU 101 2HB LEU 101 3.911 -2.651 -9.762 752 HG LEU 101 HG LEU 101 3.828 -4.487 -11.446 753 HD11 LEU 101 1HD1 LEU 101 2.271 -4.503 -13.020 754 HD12 LEU 101 2HD1 LEU 101 2.900 -2.989 -13.668 755 HD13 LEU 101 3HD1 LEU 101 1.646 -2.964 -12.428 756 HD21 LEU 101 1HD2 LEU 101 4.736 -1.734 -12.236 757 HD22 LEU 101 2HD2 LEU 101 5.074 -3.159 -13.219 758 HD23 LEU 101 3HD2 LEU 101 5.692 -3.058 -11.570 759 H VAL 102 H VAL 102 1.076 -5.785 -9.536 760 HA VAL 102 HA VAL 102 2.972 -6.505 -7.399 761 HB VAL 102 HB VAL 102 1.418 -8.206 -6.680 762 HG11 VAL 102 1HG1 VAL 102 -0.690 -6.537 -6.464 763 HG12 VAL 102 2HG1 VAL 102 0.769 -6.410 -5.479 764 HG13 VAL 102 3HG1 VAL 102 0.576 -5.392 -6.906 765 HG21 VAL 102 1HG2 VAL 102 0.372 -9.062 -8.550 766 HG22 VAL 102 2HG2 VAL 102 -0.926 -8.114 -7.823 767 HG23 VAL 102 3HG2 VAL 102 -0.022 -7.467 -9.191 768 H ARG 103 H ARG 103 3.884 -8.636 -7.427 769 HA ARG 103 HA ARG 103 4.349 -9.587 -10.154 770 HB2 ARG 103 1HB ARG 103 6.204 -9.005 -8.428 771 HB3 ARG 103 2HB ARG 103 5.817 -10.571 -7.728 772 HG2 ARG 103 1HG ARG 103 6.414 -11.699 -9.747 773 HG3 ARG 103 2HG ARG 103 6.594 -10.168 -10.606 774 HD2 ARG 103 1HD ARG 103 8.323 -9.701 -8.657 775 HD3 ARG 103 2HD ARG 103 8.386 -11.462 -8.618 776 HE ARG 103 HE ARG 103 9.582 -11.409 -10.558 777 HH11 ARG 103 2HH1 ARG 103 7.908 -8.378 -10.197 778 HH12 ARG 103 1HH1 ARG 103 8.661 -7.648 -11.576 779 HH21 ARG 103 2HH2 ARG 103 10.580 -10.459 -12.376 780 HH22 ARG 103 1HH2 ARG 103 10.180 -8.833 -12.816 781 HA PRO 104 HA PRO 104 1.757 -13.107 -9.531 782 HB2 PRO 104 1HB PRO 104 2.674 -14.614 -11.595 783 HB3 PRO 104 2HB PRO 104 1.622 -13.211 -11.822 784 HG2 PRO 104 1HG PRO 104 4.594 -13.418 -12.118 785 HG3 PRO 104 2HG PRO 104 3.421 -12.590 -13.159 786 HD2 PRO 104 1HD PRO 104 4.943 -11.276 -11.346 787 HD3 PRO 104 2HD PRO 104 3.302 -10.751 -11.775 788 H ASN 105 H ASN 105 1.851 -15.092 -8.557 789 HA ASN 105 HA ASN 105 4.540 -16.146 -7.968 790 HB2 ASN 105 1HB ASN 105 3.180 -15.096 -6.047 791 HB3 ASN 105 2HB ASN 105 2.160 -16.527 -6.164 792 HD21 ASN 105 1HD2 ASN 105 4.233 -15.387 -4.197 793 HD22 ASN 105 2HD2 ASN 105 5.202 -16.763 -3.809 794 H ALA 106 H ALA 106 4.347 -17.478 -9.863 795 HA ALA 106 HA ALA 106 2.380 -19.652 -9.653 796 HB1 ALA 106 1HB ALA 106 4.058 -18.740 -11.985 797 HB2 ALA 106 2HB ALA 106 2.980 -20.136 -12.009 798 HB3 ALA 106 3HB ALA 106 2.322 -18.517 -11.772 799 H VAL 107 H VAL 107 3.010 -21.595 -8.992 800 HA VAL 107 HA VAL 107 5.710 -22.537 -9.528 801 HB VAL 107 HB VAL 107 4.628 -22.432 -6.708 802 HG11 VAL 107 1HG1 VAL 107 6.243 -24.341 -7.718 803 HG12 VAL 107 2HG1 VAL 107 7.440 -23.141 -7.226 804 HG13 VAL 107 3HG1 VAL 107 6.302 -23.789 -6.044 805 HG21 VAL 107 1HG2 VAL 107 6.638 -20.968 -6.328 806 HG22 VAL 107 2HG2 VAL 107 6.807 -20.869 -8.081 807 HG23 VAL 107 3HG2 VAL 107 5.355 -20.245 -7.299 808 H TYR 108 H TYR 108 5.665 -24.612 -10.097 809 HA TYR 108 HA TYR 108 3.401 -26.103 -10.465 810 HB2 TYR 108 1HB TYR 108 5.199 -27.009 -11.570 811 HB3 TYR 108 2HB TYR 108 6.289 -26.783 -10.207 812 HD1 TYR 108 1HD TYR 108 6.390 -28.434 -8.407 813 HD2 TYR 108 2HD TYR 108 3.854 -29.006 -11.775 814 HE1 TYR 108 1HE TYR 108 6.139 -30.806 -7.807 815 HE2 TYR 108 2HE TYR 108 3.594 -31.379 -11.184 816 HH TYR 108 HH TYR 108 3.780 -32.758 -8.980 817 H ASP 109 H ASP 109 2.015 -27.140 -9.197 818 HA ASP 109 HA ASP 109 2.903 -28.077 -6.562 819 HB2 ASP 109 1HB ASP 109 0.723 -27.272 -5.603 820 HB3 ASP 109 2HB ASP 109 1.835 -25.988 -6.068 821 H VAL 110 H VAL 110 1.860 -29.906 -5.793 822 HA VAL 110 HA VAL 110 -0.042 -31.177 -7.652 823 HB VAL 110 HB VAL 110 2.088 -32.300 -7.882 824 HG11 VAL 110 1HG1 VAL 110 2.438 -31.677 -5.205 825 HG12 VAL 110 2HG1 VAL 110 2.287 -33.435 -5.224 826 HG13 VAL 110 3HG1 VAL 110 3.518 -32.644 -6.209 827 HG21 VAL 110 1HG2 VAL 110 0.703 -34.269 -6.174 828 HG22 VAL 110 2HG2 VAL 110 -0.263 -33.533 -7.453 829 HG23 VAL 110 3HG2 VAL 110 1.225 -34.390 -7.854 830 H VAL 111 H VAL 111 -1.958 -31.261 -6.684 831 HA VAL 111 HA VAL 111 -2.056 -31.836 -3.795 832 HB VAL 111 HB VAL 111 -4.114 -30.444 -5.516 833 HG11 VAL 111 1HG1 VAL 111 -4.896 -31.903 -3.543 834 HG12 VAL 111 2HG1 VAL 111 -4.188 -30.646 -2.526 835 HG13 VAL 111 3HG1 VAL 111 -5.489 -30.246 -3.648 836 HG21 VAL 111 1HG2 VAL 111 -1.790 -29.477 -4.188 837 HG22 VAL 111 2HG2 VAL 111 -3.006 -28.568 -5.084 838 HG23 VAL 111 3HG2 VAL 111 -3.212 -28.850 -3.356 839 H GLU 112 H GLU 112 -3.273 -33.508 -3.045 840 HA GLU 112 HA GLU 112 -5.097 -34.918 -4.798 841 HB2 GLU 112 1HB GLU 112 -3.985 -37.073 -4.604 842 HB3 GLU 112 2HB GLU 112 -2.917 -35.907 -5.372 843 HG2 GLU 112 1HG GLU 112 -1.962 -35.548 -3.011 844 HG3 GLU 112 2HG GLU 112 -2.765 -37.069 -2.622 845 H GLU 113 H GLU 113 -6.800 -35.522 -3.641 846 HA GLU 113 HA GLU 113 -6.619 -36.751 -1.089 847 HB2 GLU 113 1HB GLU 113 -8.097 -34.802 -0.063 848 HB3 GLU 113 2HB GLU 113 -6.342 -34.777 0.031 849 HG2 GLU 113 1HG GLU 113 -6.436 -33.435 -2.147 850 HG3 GLU 113 2HG GLU 113 -8.144 -33.209 -1.772 851 H SER 114 H SER 114 -8.150 -38.232 -1.317 852 HA SER 114 HA SER 114 -10.873 -37.425 -1.885 853 HB2 SER 114 1HB SER 114 -11.216 -38.732 -3.817 854 HB3 SER 114 2HB SER 114 -9.679 -37.921 -4.114 855 HG SER 114 HG SER 114 -8.892 -40.027 -2.988 856 H GLY 115 H GLY 115 -12.392 -38.819 -1.049 857 HA2 GLY 115 1HA GLY 115 -12.936 -41.130 -0.368 858 HA3 GLY 115 2HA GLY 115 -11.322 -41.209 0.321 859 HA PRO 116 HA PRO 116 -14.201 -40.200 3.773 860 HB2 PRO 116 1HB PRO 116 -12.958 -41.811 5.570 861 HB3 PRO 116 2HB PRO 116 -14.198 -42.394 4.454 862 HG2 PRO 116 1HG PRO 116 -11.218 -42.591 4.245 863 HG3 PRO 116 2HG PRO 116 -12.448 -43.820 3.897 864 HD2 PRO 116 1HD PRO 116 -11.242 -42.373 1.952 865 HD3 PRO 116 2HD PRO 116 -12.919 -42.940 1.819 866 H SER 117 H SER 117 -13.505 -38.104 4.085 867 HA SER 117 HA SER 117 -11.254 -37.791 5.929 868 HB2 SER 117 1HB SER 117 -11.585 -36.333 3.307 869 HB3 SER 117 2HB SER 117 -10.588 -35.702 4.618 870 HG SER 117 HG SER 117 -10.264 -38.142 3.213 871 H SER 118 H SER 118 -11.899 -36.686 7.643 872 HA SER 118 HA SER 118 -14.348 -35.111 7.497 873 HB2 SER 118 1HB SER 118 -14.260 -36.655 9.334 874 HB3 SER 118 2HB SER 118 -12.673 -36.064 9.827 875 HG SER 118 HG SER 118 -14.135 -35.081 11.149 876 H GLY 119 H GLY 119 -11.044 -34.706 8.785 877 HA2 GLY 119 1HA GLY 119 -9.696 -32.845 8.882 878 HA3 GLY 119 2HA GLY 119 -10.768 -32.091 7.711 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -17.270 25.181 -16.119 2 HA2 GLY 1 1HA GLY 1 -15.281 24.125 -15.672 3 HA3 GLY 1 2HA GLY 1 -16.079 23.542 -14.219 4 H SER 2 H SER 2 -14.208 22.378 -16.391 5 HA SER 2 HA SER 2 -15.174 19.720 -16.216 6 HB2 SER 2 1HB SER 2 -15.774 21.263 -18.691 7 HB3 SER 2 2HB SER 2 -15.224 19.599 -18.888 8 HG SER 2 HG SER 2 -16.930 18.969 -17.483 9 H SER 3 H SER 3 -13.499 18.360 -16.379 10 HA SER 3 HA SER 3 -11.296 18.784 -18.148 11 HB2 SER 3 1HB SER 3 -9.560 19.233 -16.575 12 HB3 SER 3 2HB SER 3 -10.840 20.398 -16.239 13 HG SER 3 HG SER 3 -9.776 18.992 -14.461 14 H GLY 4 H GLY 4 -10.521 16.849 -18.691 15 HA2 GLY 4 1HA GLY 4 -10.511 14.692 -16.708 16 HA3 GLY 4 2HA GLY 4 -11.407 14.433 -18.197 17 H SER 5 H SER 5 -9.357 12.746 -17.485 18 HA SER 5 HA SER 5 -7.601 13.053 -19.753 19 HB2 SER 5 1HB SER 5 -5.525 13.084 -18.586 20 HB3 SER 5 2HB SER 5 -6.513 14.346 -17.850 21 HG SER 5 HG SER 5 -5.324 12.688 -16.470 22 H SER 6 H SER 6 -6.092 11.136 -19.924 23 HA SER 6 HA SER 6 -7.252 8.748 -18.655 24 HB2 SER 6 1HB SER 6 -7.343 7.566 -20.698 25 HB3 SER 6 2HB SER 6 -8.005 9.156 -21.079 26 HG SER 6 HG SER 6 -6.230 9.650 -22.197 27 H GLY 7 H GLY 7 -5.782 6.784 -19.052 28 HA2 GLY 7 1HA GLY 7 -2.954 7.481 -19.256 29 HA3 GLY 7 2HA GLY 7 -3.497 6.834 -17.715 30 H ASN 8 H ASN 8 -3.093 6.133 -21.136 31 HA ASN 8 HA ASN 8 -2.721 3.321 -20.472 32 HB2 ASN 8 1HB ASN 8 -5.174 3.886 -21.217 33 HB3 ASN 8 2HB ASN 8 -4.465 3.948 -22.828 34 HD21 ASN 8 1HD2 ASN 8 -5.264 2.154 -23.729 35 HD22 ASN 8 2HD2 ASN 8 -5.024 0.554 -23.123 36 H GLY 9 H GLY 9 -0.925 2.624 -21.421 37 HA2 GLY 9 1HA GLY 9 -0.295 3.326 -24.149 38 HA3 GLY 9 2HA GLY 9 0.794 4.039 -22.967 39 H GLY 10 H GLY 10 -0.200 1.130 -24.571 40 HA2 GLY 10 1HA GLY 10 1.914 -0.317 -24.848 41 HA3 GLY 10 2HA GLY 10 1.829 -0.410 -23.095 42 H ILE 11 H ILE 11 1.372 -2.261 -25.600 43 HA ILE 11 HA ILE 11 -1.127 -3.259 -25.802 44 HB ILE 11 HB ILE 11 -0.229 -5.414 -26.310 45 HG12 ILE 11 1HG1 ILE 11 1.142 -5.780 -24.342 46 HG13 ILE 11 2HG1 ILE 11 2.128 -5.998 -25.784 47 HG21 ILE 11 1HG2 ILE 11 0.711 -4.636 -28.165 48 HG22 ILE 11 2HG2 ILE 11 0.744 -3.039 -27.420 49 HG23 ILE 11 3HG2 ILE 11 2.140 -4.106 -27.278 50 HD11 ILE 11 1HD1 ILE 11 2.883 -3.605 -25.448 51 HD12 ILE 11 2HD1 ILE 11 2.133 -3.704 -23.855 52 HD13 ILE 11 3HD1 ILE 11 3.454 -4.793 -24.277 53 HA PRO 12 HA PRO 12 -2.496 -4.632 -21.854 54 HB2 PRO 12 1HB PRO 12 -4.293 -6.515 -22.628 55 HB3 PRO 12 2HB PRO 12 -4.589 -4.780 -22.792 56 HG2 PRO 12 1HG PRO 12 -3.670 -6.748 -24.852 57 HG3 PRO 12 2HG PRO 12 -4.868 -5.450 -25.001 58 HD2 PRO 12 1HD PRO 12 -2.329 -5.201 -25.910 59 HD3 PRO 12 2HD PRO 12 -3.258 -3.824 -25.281 60 H HIS 13 H HIS 13 -1.107 -6.831 -24.158 61 HA HIS 13 HA HIS 13 -0.997 -9.067 -22.341 62 HB2 HIS 13 1HB HIS 13 -1.141 -9.698 -24.604 63 HB3 HIS 13 2HB HIS 13 0.096 -8.544 -25.096 64 HD1 HIS 13 1HD HIS 13 2.027 -9.850 -25.905 65 HD2 HIS 13 2HD HIS 13 0.354 -11.529 -22.493 66 HE1 HIS 13 1HE HIS 13 3.497 -11.808 -25.330 67 HE2 HIS 13 2HE HIS 13 2.416 -12.859 -23.312 68 H ASP 14 H ASP 14 0.118 -8.242 -20.546 69 HA ASP 14 HA ASP 14 2.990 -7.757 -21.007 70 HB2 ASP 14 1HB ASP 14 1.416 -5.880 -20.028 71 HB3 ASP 14 2HB ASP 14 1.625 -6.783 -18.531 72 H ASN 15 H ASN 15 4.230 -8.155 -18.826 73 HA ASN 15 HA ASN 15 3.565 -10.891 -18.034 74 HB2 ASN 15 1HB ASN 15 6.104 -9.280 -17.691 75 HB3 ASN 15 2HB ASN 15 5.893 -10.943 -17.150 76 HD21 ASN 15 1HD2 ASN 15 7.303 -11.964 -18.442 77 HD22 ASN 15 2HD2 ASN 15 7.212 -11.987 -20.167 78 H LEU 16 H LEU 16 4.281 -7.721 -16.639 79 HA LEU 16 HA LEU 16 3.993 -8.595 -13.932 80 HB2 LEU 16 1HB LEU 16 4.320 -5.985 -15.319 81 HB3 LEU 16 2HB LEU 16 3.705 -5.980 -13.667 82 HG LEU 16 HG LEU 16 6.174 -5.606 -13.901 83 HD11 LEU 16 1HD1 LEU 16 4.771 -7.433 -12.138 84 HD12 LEU 16 2HD1 LEU 16 5.970 -6.195 -11.765 85 HD13 LEU 16 3HD1 LEU 16 6.491 -7.805 -12.263 86 HD21 LEU 16 1HD2 LEU 16 6.322 -7.393 -15.747 87 HD22 LEU 16 2HD2 LEU 16 6.379 -8.552 -14.419 88 HD23 LEU 16 3HD2 LEU 16 7.622 -7.307 -14.558 89 H VAL 17 H VAL 17 2.312 -8.015 -12.469 90 HA VAL 17 HA VAL 17 -0.312 -7.850 -13.776 91 HB VAL 17 HB VAL 17 0.435 -8.761 -10.994 92 HG11 VAL 17 1HG1 VAL 17 -1.990 -9.493 -10.934 93 HG12 VAL 17 2HG1 VAL 17 -1.694 -7.759 -10.791 94 HG13 VAL 17 3HG1 VAL 17 -2.243 -8.438 -12.324 95 HG21 VAL 17 1HG2 VAL 17 0.605 -10.811 -11.835 96 HG22 VAL 17 2HG2 VAL 17 -0.967 -10.673 -12.623 97 HG23 VAL 17 3HG2 VAL 17 0.486 -10.108 -13.448 98 H LEU 18 H LEU 18 -1.895 -6.402 -13.063 99 HA LEU 18 HA LEU 18 -0.951 -4.239 -11.305 100 HB2 LEU 18 1HB LEU 18 -0.829 -3.400 -13.538 101 HB3 LEU 18 2HB LEU 18 -2.439 -4.012 -13.911 102 HG LEU 18 HG LEU 18 -3.098 -2.338 -11.947 103 HD11 LEU 18 1HD1 LEU 18 -0.944 -0.727 -13.216 104 HD12 LEU 18 2HD1 LEU 18 -0.525 -1.794 -11.876 105 HD13 LEU 18 3HD1 LEU 18 -1.734 -0.529 -11.651 106 HD21 LEU 18 1HD2 LEU 18 -3.887 -0.887 -13.592 107 HD22 LEU 18 2HD2 LEU 18 -3.767 -2.437 -14.424 108 HD23 LEU 18 3HD2 LEU 18 -2.524 -1.208 -14.665 109 H ILE 19 H ILE 19 -2.370 -3.513 -9.805 110 HA ILE 19 HA ILE 19 -4.956 -4.895 -9.671 111 HB ILE 19 HB ILE 19 -3.600 -3.357 -7.460 112 HG12 ILE 19 1HG1 ILE 19 -2.303 -5.366 -8.383 113 HG13 ILE 19 2HG1 ILE 19 -2.642 -5.358 -6.656 114 HG21 ILE 19 1HG2 ILE 19 -6.163 -4.609 -7.753 115 HG22 ILE 19 2HG2 ILE 19 -5.245 -5.403 -6.474 116 HG23 ILE 19 3HG2 ILE 19 -5.529 -3.664 -6.406 117 HD11 ILE 19 1HD1 ILE 19 -3.256 -7.347 -8.551 118 HD12 ILE 19 2HD1 ILE 19 -3.641 -7.318 -6.830 119 HD13 ILE 19 3HD1 ILE 19 -4.784 -6.660 -8.000 120 H ARG 20 H ARG 20 -6.656 -3.791 -10.361 121 HA ARG 20 HA ARG 20 -6.673 -0.865 -10.010 122 HB2 ARG 20 1HB ARG 20 -7.963 -2.582 -12.133 123 HB3 ARG 20 2HB ARG 20 -8.324 -0.875 -11.915 124 HG2 ARG 20 1HG ARG 20 -5.820 -0.484 -12.201 125 HG3 ARG 20 2HG ARG 20 -5.756 -2.144 -12.797 126 HD2 ARG 20 1HD ARG 20 -7.737 -0.214 -13.933 127 HD3 ARG 20 2HD ARG 20 -6.059 -0.178 -14.473 128 HE ARG 20 HE ARG 20 -7.062 -2.817 -14.584 129 HH11 ARG 20 2HH1 ARG 20 -7.289 0.259 -16.198 130 HH12 ARG 20 1HH1 ARG 20 -7.686 -0.430 -17.737 131 HH21 ARG 20 2HH2 ARG 20 -7.583 -3.737 -16.605 132 HH22 ARG 20 1HH2 ARG 20 -7.854 -2.704 -17.967 133 H MET 21 H MET 21 -8.258 0.025 -8.833 134 HA MET 21 HA MET 21 -10.836 -1.160 -8.524 135 HB2 MET 21 1HB MET 21 -10.765 -1.711 -6.196 136 HB3 MET 21 2HB MET 21 -9.440 -2.558 -6.983 137 HG2 MET 21 1HG MET 21 -8.947 0.098 -5.725 138 HG3 MET 21 2HG MET 21 -9.069 -1.341 -4.715 139 HE1 MET 21 1HE MET 21 -6.806 -3.405 -4.864 140 HE2 MET 21 2HE MET 21 -5.648 -2.164 -4.383 141 HE3 MET 21 3HE MET 21 -7.316 -2.081 -3.815 142 H LYS 22 H LYS 22 -12.319 0.217 -7.483 143 HA LYS 22 HA LYS 22 -11.475 2.995 -7.434 144 HB2 LYS 22 1HB LYS 22 -13.682 3.553 -7.739 145 HB3 LYS 22 2HB LYS 22 -13.673 1.946 -8.453 146 HG2 LYS 22 1HG LYS 22 -14.363 1.134 -6.111 147 HG3 LYS 22 2HG LYS 22 -14.769 2.826 -5.812 148 HD2 LYS 22 1HD LYS 22 -16.781 2.095 -6.604 149 HD3 LYS 22 2HD LYS 22 -16.022 2.550 -8.131 150 HE2 LYS 22 1HE LYS 22 -16.831 0.446 -8.616 151 HE3 LYS 22 2HE LYS 22 -15.175 0.089 -8.129 152 HZ1 LYS 22 1HZ LYS 22 -17.047 0.095 -5.945 153 HZ2 LYS 22 2HZ LYS 22 -15.870 -1.048 -6.357 154 HZ3 LYS 22 3HZ LYS 22 -17.384 -1.084 -7.111 155 HA PRO 23 HA PRO 23 -11.245 3.482 -3.078 156 HB2 PRO 23 1HB PRO 23 -12.193 6.007 -2.769 157 HB3 PRO 23 2HB PRO 23 -10.609 5.655 -3.470 158 HG2 PRO 23 1HG PRO 23 -13.188 6.299 -4.846 159 HG3 PRO 23 2HG PRO 23 -11.553 6.887 -5.201 160 HD2 PRO 23 1HD PRO 23 -12.730 4.905 -6.623 161 HD3 PRO 23 2HD PRO 23 -10.977 4.971 -6.346 162 H ASP 24 H ASP 24 -12.474 3.647 -1.140 163 HA ASP 24 HA ASP 24 -15.179 2.707 -1.425 164 HB2 ASP 24 1HB ASP 24 -13.562 1.857 0.305 165 HB3 ASP 24 2HB ASP 24 -13.718 3.408 1.126 166 H GLU 25 H GLU 25 -16.844 3.665 0.192 167 HA GLU 25 HA GLU 25 -17.709 6.101 -0.687 168 HB2 GLU 25 1HB GLU 25 -18.841 4.348 0.875 169 HB3 GLU 25 2HB GLU 25 -18.174 5.327 2.174 170 HG2 GLU 25 1HG GLU 25 -19.317 7.289 0.883 171 HG3 GLU 25 2HG GLU 25 -20.295 5.994 0.196 172 H ASN 26 H ASN 26 -15.697 5.486 2.174 173 HA ASN 26 HA ASN 26 -15.425 8.306 2.734 174 HB2 ASN 26 1HB ASN 26 -15.464 6.448 4.480 175 HB3 ASN 26 2HB ASN 26 -13.824 6.064 3.966 176 HD21 ASN 26 1HD2 ASN 26 -14.471 6.825 6.556 177 HD22 ASN 26 2HD2 ASN 26 -13.744 8.358 6.883 178 H GLY 27 H GLY 27 -13.863 6.019 0.757 179 HA2 GLY 27 1HA GLY 27 -12.263 6.666 -0.876 180 HA3 GLY 27 2HA GLY 27 -11.756 7.976 0.179 181 H ARG 28 H ARG 28 -12.176 4.592 1.088 182 HA ARG 28 HA ARG 28 -9.260 4.381 1.425 183 HB2 ARG 28 1HB ARG 28 -11.244 3.164 3.340 184 HB3 ARG 28 2HB ARG 28 -9.505 3.332 3.542 185 HG2 ARG 28 1HG ARG 28 -9.960 5.866 3.445 186 HG3 ARG 28 2HG ARG 28 -11.637 5.417 3.763 187 HD2 ARG 28 1HD ARG 28 -10.961 4.265 5.796 188 HD3 ARG 28 2HD ARG 28 -9.271 4.642 5.465 189 HE ARG 28 HE ARG 28 -10.598 7.060 5.522 190 HH11 ARG 28 2HH1 ARG 28 -10.029 4.416 7.714 191 HH12 ARG 28 1HH1 ARG 28 -10.081 5.409 9.132 192 HH21 ARG 28 2HH2 ARG 28 -10.668 8.379 7.382 193 HH22 ARG 28 1HH2 ARG 28 -10.445 7.663 8.942 194 H PHE 29 H PHE 29 -8.650 1.993 1.852 195 HA PHE 29 HA PHE 29 -10.215 0.292 0.024 196 HB2 PHE 29 1HB PHE 29 -7.219 0.222 0.436 197 HB3 PHE 29 2HB PHE 29 -8.143 -0.745 -0.708 198 HD1 PHE 29 2HD PHE 29 -6.948 2.643 0.079 199 HD2 PHE 29 1HD PHE 29 -8.835 0.141 -2.802 200 HE1 PHE 29 2HE PHE 29 -6.657 4.392 -1.626 201 HE2 PHE 29 1HE PHE 29 -8.545 1.886 -4.512 202 HZ PHE 29 HZ PHE 29 -7.457 4.016 -3.925 203 H GLY 30 H GLY 30 -9.451 -2.124 0.356 204 HA2 GLY 30 1HA GLY 30 -9.552 -2.630 3.267 205 HA3 GLY 30 2HA GLY 30 -10.387 -3.618 2.078 206 H PHE 31 H PHE 31 -7.084 -2.461 2.764 207 HA PHE 31 HA PHE 31 -6.058 -5.121 2.908 208 HB2 PHE 31 1HB PHE 31 -4.751 -5.217 0.941 209 HB3 PHE 31 2HB PHE 31 -6.343 -4.690 0.406 210 HD1 PHE 31 1HD PHE 31 -2.942 -3.489 1.238 211 HD2 PHE 31 2HD PHE 31 -6.619 -2.669 -0.741 212 HE1 PHE 31 1HE PHE 31 -1.922 -1.523 0.166 213 HE2 PHE 31 2HE PHE 31 -5.606 -0.703 -1.817 214 HZ PHE 31 HZ PHE 31 -3.254 -0.128 -1.365 215 H ASN 32 H ASN 32 -4.206 -5.157 4.057 216 HA ASN 32 HA ASN 32 -2.992 -2.559 4.702 217 HB2 ASN 32 1HB ASN 32 -3.429 -5.069 6.248 218 HB3 ASN 32 2HB ASN 32 -1.999 -4.113 6.625 219 HD21 ASN 32 1HD2 ASN 32 -5.503 -3.972 6.332 220 HD22 ASN 32 2HD2 ASN 32 -5.729 -2.695 7.473 221 H VAL 33 H VAL 33 -0.640 -2.580 5.148 222 HA VAL 33 HA VAL 33 0.824 -4.618 3.624 223 HB VAL 33 HB VAL 33 2.234 -2.907 2.582 224 HG11 VAL 33 1HG1 VAL 33 0.862 -2.720 0.813 225 HG12 VAL 33 2HG1 VAL 33 -0.245 -3.688 1.789 226 HG13 VAL 33 3HG1 VAL 33 -0.405 -1.931 1.751 227 HG21 VAL 33 1HG2 VAL 33 2.274 -0.811 3.311 228 HG22 VAL 33 2HG2 VAL 33 0.571 -0.610 2.900 229 HG23 VAL 33 3HG2 VAL 33 1.028 -1.212 4.493 230 H LYS 34 H LYS 34 3.174 -4.571 4.057 231 HA LYS 34 HA LYS 34 3.994 -3.243 6.512 232 HB2 LYS 34 1HB LYS 34 4.840 -5.413 7.459 233 HB3 LYS 34 2HB LYS 34 3.089 -5.248 7.441 234 HG2 LYS 34 1HG LYS 34 2.866 -6.741 5.631 235 HG3 LYS 34 2HG LYS 34 4.596 -6.690 5.280 236 HD2 LYS 34 1HD LYS 34 4.997 -7.732 7.518 237 HD3 LYS 34 2HD LYS 34 3.250 -7.927 7.680 238 HE2 LYS 34 1HE LYS 34 3.189 -9.344 5.726 239 HE3 LYS 34 2HE LYS 34 4.904 -9.065 5.428 240 HZ1 LYS 34 1HZ LYS 34 4.976 -9.994 7.919 241 HZ2 LYS 34 2HZ LYS 34 5.108 -10.983 6.553 242 HZ3 LYS 34 3HZ LYS 34 3.620 -10.827 7.343 243 H GLY 35 H GLY 35 6.316 -3.419 6.906 244 HA2 GLY 35 1HA GLY 35 8.523 -3.943 6.212 245 HA3 GLY 35 2HA GLY 35 7.896 -4.359 4.624 246 H GLY 36 H GLY 36 9.833 -3.005 4.037 247 HA2 GLY 36 1HA GLY 36 9.484 -0.864 2.632 248 HA3 GLY 36 2HA GLY 36 9.257 -0.125 4.210 249 H TYR 37 H TYR 37 11.212 0.776 2.491 250 HA TYR 37 HA TYR 37 13.729 -0.290 2.591 251 HB2 TYR 37 1HB TYR 37 13.161 1.763 1.361 252 HB3 TYR 37 2HB TYR 37 13.015 2.637 2.882 253 HD1 TYR 37 1HD TYR 37 15.114 2.758 4.369 254 HD2 TYR 37 2HD TYR 37 15.215 1.655 0.261 255 HE1 TYR 37 1HE TYR 37 17.509 3.309 4.286 256 HE2 TYR 37 2HE TYR 37 17.612 2.203 0.167 257 HH TYR 37 HH TYR 37 19.552 2.297 2.013 258 H ASP 38 H ASP 38 11.928 1.168 5.176 259 HA ASP 38 HA ASP 38 14.067 1.710 6.939 260 HB2 ASP 38 1HB ASP 38 12.052 2.758 7.503 261 HB3 ASP 38 2HB ASP 38 11.117 1.279 7.305 262 H GLN 39 H GLN 39 12.045 -1.145 6.440 263 HA GLN 39 HA GLN 39 13.616 -2.607 8.435 264 HB2 GLN 39 1HB GLN 39 10.961 -3.091 7.121 265 HB3 GLN 39 2HB GLN 39 11.830 -4.416 7.884 266 HG2 GLN 39 1HG GLN 39 11.107 -1.859 9.290 267 HG3 GLN 39 2HG GLN 39 10.117 -3.317 9.319 268 HE21 GLN 39 1HE2 GLN 39 11.760 -1.738 11.350 269 HE22 GLN 39 2HE2 GLN 39 12.673 -2.955 12.167 270 H LYS 40 H LYS 40 14.392 -1.831 5.588 271 HA LYS 40 HA LYS 40 15.345 -2.768 3.724 272 HB2 LYS 40 1HB LYS 40 16.415 -4.233 6.093 273 HB3 LYS 40 2HB LYS 40 16.855 -4.808 4.490 274 HG2 LYS 40 1HG LYS 40 17.248 -1.971 5.408 275 HG3 LYS 40 2HG LYS 40 18.482 -3.227 5.533 276 HD2 LYS 40 1HD LYS 40 18.813 -3.318 3.264 277 HD3 LYS 40 2HD LYS 40 17.177 -2.769 2.895 278 HE2 LYS 40 1HE LYS 40 18.777 -1.047 2.316 279 HE3 LYS 40 2HE LYS 40 17.785 -0.513 3.672 280 HZ1 LYS 40 1HZ LYS 40 20.021 0.052 4.150 281 HZ2 LYS 40 2HZ LYS 40 20.580 -1.497 3.767 282 HZ3 LYS 40 3HZ LYS 40 19.632 -1.258 5.148 283 H MET 41 H MET 41 12.666 -3.759 4.348 284 HA MET 41 HA MET 41 12.857 -6.364 2.990 285 HB2 MET 41 1HB MET 41 11.166 -7.296 4.310 286 HB3 MET 41 2HB MET 41 12.153 -6.413 5.467 287 HG2 MET 41 1HG MET 41 10.574 -4.660 5.616 288 HG3 MET 41 2HG MET 41 9.675 -5.262 4.225 289 HE1 MET 41 1HE MET 41 7.716 -8.190 5.383 290 HE2 MET 41 2HE MET 41 7.203 -6.572 4.904 291 HE3 MET 41 3HE MET 41 8.542 -7.357 4.066 292 HA PRO 42 HA PRO 42 10.174 -4.704 -0.066 293 HB2 PRO 42 1HB PRO 42 8.887 -6.952 -0.879 294 HB3 PRO 42 2HB PRO 42 10.577 -6.616 -1.274 295 HG2 PRO 42 1HG PRO 42 9.446 -8.369 0.873 296 HG3 PRO 42 2HG PRO 42 10.808 -8.675 -0.219 297 HD2 PRO 42 1HD PRO 42 11.148 -7.872 2.345 298 HD3 PRO 42 2HD PRO 42 12.268 -7.416 1.045 299 H VAL 43 H VAL 43 7.927 -4.366 -0.630 300 HA VAL 43 HA VAL 43 6.221 -4.357 1.731 301 HB VAL 43 HB VAL 43 5.731 -3.127 -0.985 302 HG11 VAL 43 1HG1 VAL 43 4.170 -1.696 0.547 303 HG12 VAL 43 2HG1 VAL 43 3.628 -3.263 -0.056 304 HG13 VAL 43 3HG1 VAL 43 4.231 -3.113 1.595 305 HG21 VAL 43 1HG2 VAL 43 7.230 -1.594 -0.395 306 HG22 VAL 43 2HG2 VAL 43 6.150 -1.127 0.918 307 HG23 VAL 43 3HG2 VAL 43 7.422 -2.314 1.203 308 H ILE 44 H ILE 44 4.782 -5.902 2.082 309 HA ILE 44 HA ILE 44 3.428 -7.144 -0.204 310 HB ILE 44 HB ILE 44 4.528 -8.736 2.114 311 HG12 ILE 44 1HG1 ILE 44 5.895 -9.753 0.124 312 HG13 ILE 44 2HG1 ILE 44 5.570 -8.205 -0.647 313 HG21 ILE 44 1HG2 ILE 44 2.918 -10.154 1.484 314 HG22 ILE 44 2HG2 ILE 44 2.629 -9.296 -0.028 315 HG23 ILE 44 3HG2 ILE 44 3.937 -10.474 0.080 316 HD11 ILE 44 1HD1 ILE 44 7.349 -7.408 0.393 317 HD12 ILE 44 2HD1 ILE 44 6.472 -7.579 1.914 318 HD13 ILE 44 3HD1 ILE 44 7.516 -8.882 1.347 319 H VAL 45 H VAL 45 1.313 -7.709 0.146 320 HA VAL 45 HA VAL 45 -0.166 -6.346 2.055 321 HB VAL 45 HB VAL 45 -0.875 -8.840 0.510 322 HG11 VAL 45 1HG1 VAL 45 -2.457 -7.214 2.447 323 HG12 VAL 45 2HG1 VAL 45 -3.267 -7.925 1.050 324 HG13 VAL 45 3HG1 VAL 45 -2.425 -8.960 2.205 325 HG21 VAL 45 1HG2 VAL 45 -1.204 -7.466 -1.202 326 HG22 VAL 45 2HG2 VAL 45 -2.332 -6.508 -0.242 327 HG23 VAL 45 3HG2 VAL 45 -0.612 -6.121 -0.226 328 H SER 46 H SER 46 -0.742 -6.712 4.111 329 HA SER 46 HA SER 46 0.342 -9.084 5.424 330 HB2 SER 46 1HB SER 46 0.089 -7.899 7.484 331 HB3 SER 46 2HB SER 46 0.736 -6.745 6.318 332 HG SER 46 HG SER 46 -1.319 -6.343 7.767 333 H ARG 47 H ARG 47 -2.706 -7.230 5.553 334 HA ARG 47 HA ARG 47 -4.158 -9.772 5.747 335 HB2 ARG 47 1HB ARG 47 -3.829 -8.699 8.019 336 HB3 ARG 47 2HB ARG 47 -4.836 -7.375 7.449 337 HG2 ARG 47 1HG ARG 47 -6.362 -8.678 8.562 338 HG3 ARG 47 2HG ARG 47 -6.541 -9.263 6.907 339 HD2 ARG 47 1HD ARG 47 -5.389 -11.234 7.347 340 HD3 ARG 47 2HD ARG 47 -4.613 -10.572 8.785 341 HE ARG 47 HE ARG 47 -6.432 -11.214 10.015 342 HH11 ARG 47 2HH1 ARG 47 -7.272 -11.255 6.637 343 HH12 ARG 47 1HH1 ARG 47 -8.816 -11.998 6.896 344 HH21 ARG 47 2HH2 ARG 47 -8.461 -12.193 10.369 345 HH22 ARG 47 1HH2 ARG 47 -9.492 -12.531 9.019 346 H VAL 48 H VAL 48 -6.258 -9.753 4.907 347 HA VAL 48 HA VAL 48 -7.147 -7.284 3.596 348 HB VAL 48 HB VAL 48 -7.022 -9.962 2.202 349 HG11 VAL 48 1HG1 VAL 48 -7.816 -7.278 1.086 350 HG12 VAL 48 2HG1 VAL 48 -7.887 -8.843 0.274 351 HG13 VAL 48 3HG1 VAL 48 -8.965 -8.501 1.627 352 HG21 VAL 48 1HG2 VAL 48 -5.586 -7.947 0.825 353 HG22 VAL 48 2HG2 VAL 48 -5.046 -7.934 2.504 354 HG23 VAL 48 3HG2 VAL 48 -4.964 -9.423 1.562 355 H ALA 49 H ALA 49 -9.060 -6.895 4.500 356 HA ALA 49 HA ALA 49 -10.746 -9.016 5.481 357 HB1 ALA 49 1HB ALA 49 -12.041 -6.443 5.393 358 HB2 ALA 49 2HB ALA 49 -11.582 -7.424 6.786 359 HB3 ALA 49 3HB ALA 49 -10.418 -6.310 6.070 360 HA PRO 50 HA PRO 50 -13.260 -9.601 1.922 361 HB2 PRO 50 1HB PRO 50 -15.572 -10.388 3.106 362 HB3 PRO 50 2HB PRO 50 -14.140 -11.420 3.015 363 HG2 PRO 50 1HG PRO 50 -15.124 -9.741 5.290 364 HG3 PRO 50 2HG PRO 50 -14.473 -11.390 5.316 365 HD2 PRO 50 1HD PRO 50 -12.991 -9.228 5.994 366 HD3 PRO 50 2HD PRO 50 -12.287 -10.664 5.223 367 H GLY 51 H GLY 51 -15.688 -9.122 1.257 368 HA2 GLY 51 1HA GLY 51 -17.033 -7.404 0.506 369 HA3 GLY 51 2HA GLY 51 -17.231 -7.100 2.225 370 H THR 52 H THR 52 -14.420 -6.679 0.091 371 HA THR 52 HA THR 52 -14.529 -3.790 0.633 372 HB THR 52 HB THR 52 -11.970 -3.878 0.686 373 HG1 THR 52 1HG THR 52 -12.523 -6.601 1.330 374 HG21 THR 52 1HG2 THR 52 -12.250 -3.541 2.872 375 HG22 THR 52 2HG2 THR 52 -12.620 -5.246 3.133 376 HG23 THR 52 3HG2 THR 52 -13.907 -4.119 2.702 377 HA PRO 53 HA PRO 53 -13.838 -3.227 -3.667 378 HB2 PRO 53 1HB PRO 53 -12.422 -0.911 -3.676 379 HB3 PRO 53 2HB PRO 53 -14.148 -0.980 -3.302 380 HG2 PRO 53 1HG PRO 53 -11.811 -0.827 -1.438 381 HG3 PRO 53 2HG PRO 53 -13.355 0.042 -1.369 382 HD2 PRO 53 1HD PRO 53 -12.840 -2.136 0.155 383 HD3 PRO 53 2HD PRO 53 -14.467 -1.752 -0.442 384 H ALA 54 H ALA 54 -11.428 -4.149 -1.613 385 HA ALA 54 HA ALA 54 -9.348 -4.060 -3.695 386 HB1 ALA 54 1HB ALA 54 -9.106 -3.207 -1.170 387 HB2 ALA 54 2HB ALA 54 -8.635 -4.893 -0.950 388 HB3 ALA 54 3HB ALA 54 -7.760 -3.875 -2.094 389 H ASP 55 H ASP 55 -11.355 -6.144 -1.799 390 HA ASP 55 HA ASP 55 -9.842 -8.522 -2.557 391 HB2 ASP 55 1HB ASP 55 -11.038 -8.013 -0.248 392 HB3 ASP 55 2HB ASP 55 -12.437 -8.678 -1.087 393 H LEU 56 H LEU 56 -12.873 -6.895 -3.236 394 HA LEU 56 HA LEU 56 -13.887 -9.050 -4.866 395 HB2 LEU 56 1HB LEU 56 -14.882 -6.213 -4.687 396 HB3 LEU 56 2HB LEU 56 -15.760 -7.613 -5.300 397 HG LEU 56 HG LEU 56 -14.851 -7.567 -2.452 398 HD11 LEU 56 1HD1 LEU 56 -16.001 -5.406 -2.922 399 HD12 LEU 56 2HD1 LEU 56 -16.835 -6.433 -1.756 400 HD13 LEU 56 3HD1 LEU 56 -17.422 -6.327 -3.415 401 HD21 LEU 56 1HD2 LEU 56 -16.505 -9.153 -2.126 402 HD22 LEU 56 2HD2 LEU 56 -15.919 -9.546 -3.743 403 HD23 LEU 56 3HD2 LEU 56 -17.421 -8.642 -3.544 404 H CYS 57 H CYS 57 -11.762 -6.440 -5.300 405 HA CYS 57 HA CYS 57 -12.289 -5.931 -8.064 406 HB2 CYS 57 1HB CYS 57 -10.550 -4.403 -7.971 407 HB3 CYS 57 2HB CYS 57 -11.065 -4.448 -6.289 408 HG CYS 57 HG CYS 57 -8.342 -4.337 -6.162 409 H VAL 58 H VAL 58 -10.731 -6.347 -9.800 410 HA VAL 58 HA VAL 58 -9.271 -8.879 -9.412 411 HB VAL 58 HB VAL 58 -10.863 -8.049 -11.843 412 HG11 VAL 58 1HG1 VAL 58 -9.528 -10.705 -11.485 413 HG12 VAL 58 2HG1 VAL 58 -10.094 -9.931 -12.966 414 HG13 VAL 58 3HG1 VAL 58 -8.643 -9.336 -12.157 415 HG21 VAL 58 1HG2 VAL 58 -11.939 -9.033 -9.642 416 HG22 VAL 58 2HG2 VAL 58 -12.480 -9.552 -11.239 417 HG23 VAL 58 3HG2 VAL 58 -11.359 -10.555 -10.318 418 HA PRO 59 HA PRO 59 -7.877 -10.152 -10.421 419 HB2 PRO 59 1HB PRO 59 -5.306 -10.476 -9.610 420 HB3 PRO 59 2HB PRO 59 -5.794 -10.548 -11.308 421 HG2 PRO 59 1HG PRO 59 -4.570 -8.281 -9.784 422 HG3 PRO 59 2HG PRO 59 -4.197 -8.862 -11.417 423 HD2 PRO 59 1HD PRO 59 -5.750 -6.691 -10.963 424 HD3 PRO 59 2HD PRO 59 -5.995 -7.766 -12.354 425 H ARG 60 H ARG 60 -8.317 -11.054 -8.471 426 HA ARG 60 HA ARG 60 -8.827 -9.551 -6.233 427 HB2 ARG 60 1HB ARG 60 -9.670 -11.837 -6.579 428 HB3 ARG 60 2HB ARG 60 -8.054 -12.473 -6.301 429 HG2 ARG 60 1HG ARG 60 -8.224 -11.286 -4.018 430 HG3 ARG 60 2HG ARG 60 -9.956 -11.246 -4.351 431 HD2 ARG 60 1HD ARG 60 -10.180 -13.515 -4.187 432 HD3 ARG 60 2HD ARG 60 -8.525 -13.823 -4.713 433 HE ARG 60 HE ARG 60 -8.616 -12.550 -2.163 434 HH11 ARG 60 2HH1 ARG 60 -8.965 -15.614 -3.778 435 HH12 ARG 60 1HH1 ARG 60 -8.524 -16.546 -2.386 436 HH21 ARG 60 2HH2 ARG 60 -8.033 -13.766 -0.323 437 HH22 ARG 60 1HH2 ARG 60 -7.994 -15.494 -0.421 438 H LEU 61 H LEU 61 -7.659 -8.663 -4.653 439 HA LEU 61 HA LEU 61 -4.776 -9.029 -4.678 440 HB2 LEU 61 1HB LEU 61 -5.827 -6.775 -4.573 441 HB3 LEU 61 2HB LEU 61 -6.449 -7.187 -2.977 442 HG LEU 61 HG LEU 61 -3.991 -7.534 -2.322 443 HD11 LEU 61 1HD1 LEU 61 -2.319 -6.515 -3.614 444 HD12 LEU 61 2HD1 LEU 61 -3.493 -5.719 -4.662 445 HD13 LEU 61 3HD1 LEU 61 -3.266 -7.465 -4.759 446 HD21 LEU 61 1HD2 LEU 61 -3.707 -4.961 -2.188 447 HD22 LEU 61 2HD2 LEU 61 -5.041 -5.728 -1.326 448 HD23 LEU 61 3HD2 LEU 61 -5.334 -4.917 -2.865 449 H ASN 62 H ASN 62 -4.217 -10.893 -3.682 450 HA ASN 62 HA ASN 62 -5.304 -11.396 -0.995 451 HB2 ASN 62 1HB ASN 62 -4.446 -13.731 -1.342 452 HB3 ASN 62 2HB ASN 62 -5.719 -13.253 -2.462 453 HD21 ASN 62 1HD2 ASN 62 -2.248 -13.661 -2.108 454 HD22 ASN 62 2HD2 ASN 62 -1.921 -13.924 -3.784 455 H GLU 63 H GLU 63 -3.772 -12.381 0.571 456 HA GLU 63 HA GLU 63 -1.594 -10.741 1.064 457 HB2 GLU 63 1HB GLU 63 -1.995 -13.585 2.010 458 HB3 GLU 63 2HB GLU 63 -0.900 -12.412 2.727 459 HG2 GLU 63 1HG GLU 63 -2.613 -11.170 3.643 460 HG3 GLU 63 2HG GLU 63 -3.808 -11.785 2.503 461 H GLY 64 H GLY 64 0.625 -10.934 0.795 462 HA2 GLY 64 1HA GLY 64 2.585 -12.132 0.105 463 HA3 GLY 64 2HA GLY 64 1.568 -13.128 -0.925 464 H ASP 65 H ASP 65 0.109 -10.724 -1.899 465 HA ASP 65 HA ASP 65 1.542 -10.266 -4.242 466 HB2 ASP 65 1HB ASP 65 -0.594 -8.553 -2.954 467 HB3 ASP 65 2HB ASP 65 -0.033 -8.380 -4.615 468 H GLN 66 H GLN 66 3.672 -9.702 -3.769 469 HA GLN 66 HA GLN 66 4.361 -7.497 -2.108 470 HB2 GLN 66 1HB GLN 66 5.934 -9.316 -2.511 471 HB3 GLN 66 2HB GLN 66 5.964 -8.937 -4.228 472 HG2 GLN 66 1HG GLN 66 7.095 -6.896 -3.853 473 HG3 GLN 66 2HG GLN 66 6.820 -6.985 -2.114 474 HE21 GLN 66 1HE2 GLN 66 9.056 -7.405 -4.474 475 HE22 GLN 66 2HE2 GLN 66 10.142 -8.476 -3.662 476 H VAL 67 H VAL 67 4.039 -5.431 -2.561 477 HA VAL 67 HA VAL 67 3.369 -4.510 -5.174 478 HB VAL 67 HB VAL 67 4.071 -2.912 -2.707 479 HG11 VAL 67 1HG1 VAL 67 3.802 -1.057 -3.901 480 HG12 VAL 67 2HG1 VAL 67 3.781 -2.059 -5.354 481 HG13 VAL 67 3HG1 VAL 67 2.268 -1.636 -4.551 482 HG21 VAL 67 1HG2 VAL 67 2.156 -4.416 -2.385 483 HG22 VAL 67 2HG2 VAL 67 1.671 -2.720 -2.370 484 HG23 VAL 67 3HG2 VAL 67 1.374 -3.710 -3.799 485 H VAL 68 H VAL 68 4.798 -4.274 -6.756 486 HA VAL 68 HA VAL 68 7.603 -3.840 -6.199 487 HB VAL 68 HB VAL 68 6.181 -4.000 -8.860 488 HG11 VAL 68 1HG1 VAL 68 8.768 -3.134 -8.254 489 HG12 VAL 68 2HG1 VAL 68 8.951 -4.781 -8.860 490 HG13 VAL 68 3HG1 VAL 68 8.128 -3.566 -9.839 491 HG21 VAL 68 1HG2 VAL 68 7.496 -6.304 -8.730 492 HG22 VAL 68 2HG2 VAL 68 7.242 -6.057 -7.002 493 HG23 VAL 68 3HG2 VAL 68 5.860 -6.123 -8.096 494 H LEU 69 H LEU 69 5.123 -2.136 -8.117 495 HA LEU 69 HA LEU 69 6.398 0.400 -7.399 496 HB2 LEU 69 1HB LEU 69 5.659 -0.415 -10.206 497 HB3 LEU 69 2HB LEU 69 6.171 1.200 -9.719 498 HG LEU 69 HG LEU 69 7.907 -1.248 -9.440 499 HD11 LEU 69 1HD1 LEU 69 7.666 0.722 -11.700 500 HD12 LEU 69 2HD1 LEU 69 7.533 -1.035 -11.765 501 HD13 LEU 69 3HD1 LEU 69 9.094 -0.280 -11.442 502 HD21 LEU 69 1HD2 LEU 69 9.635 0.711 -9.540 503 HD22 LEU 69 2HD2 LEU 69 8.809 0.328 -8.029 504 HD23 LEU 69 3HD2 LEU 69 8.261 1.684 -9.015 505 H ILE 70 H ILE 70 5.010 2.128 -7.218 506 HA ILE 70 HA ILE 70 2.148 1.484 -7.483 507 HB ILE 70 HB ILE 70 3.600 3.271 -5.548 508 HG12 ILE 70 1HG1 ILE 70 1.582 1.051 -5.155 509 HG13 ILE 70 2HG1 ILE 70 3.325 0.873 -4.988 510 HG21 ILE 70 1HG2 ILE 70 0.924 3.598 -6.651 511 HG22 ILE 70 2HG2 ILE 70 0.940 3.481 -4.892 512 HG23 ILE 70 3HG2 ILE 70 1.903 4.716 -5.702 513 HD11 ILE 70 1HD1 ILE 70 1.357 2.086 -3.166 514 HD12 ILE 70 2HD1 ILE 70 2.842 1.201 -2.817 515 HD13 ILE 70 3HD1 ILE 70 2.917 2.899 -3.286 516 H ASN 71 H ASN 71 1.032 2.558 -8.966 517 HA ASN 71 HA ASN 71 0.515 4.034 -10.624 518 HB2 ASN 71 1HB ASN 71 1.580 5.882 -8.488 519 HB3 ASN 71 2HB ASN 71 0.848 6.473 -9.977 520 HD21 ASN 71 1HD2 ASN 71 -0.346 7.317 -7.832 521 HD22 ASN 71 2HD2 ASN 71 -1.818 6.471 -7.512 522 H GLY 72 H GLY 72 3.039 2.749 -10.899 523 HA2 GLY 72 1HA GLY 72 4.883 2.847 -12.263 524 HA3 GLY 72 2HA GLY 72 4.160 4.279 -12.982 525 H ARG 73 H ARG 73 5.110 3.880 -9.607 526 HA ARG 73 HA ARG 73 7.344 5.734 -10.040 527 HB2 ARG 73 1HB ARG 73 5.098 6.034 -8.054 528 HB3 ARG 73 2HB ARG 73 6.649 6.834 -7.837 529 HG2 ARG 73 1HG ARG 73 6.354 8.154 -9.766 530 HG3 ARG 73 2HG ARG 73 5.000 7.169 -10.323 531 HD2 ARG 73 1HD ARG 73 3.969 9.064 -9.450 532 HD3 ARG 73 2HD ARG 73 3.850 7.891 -8.140 533 HE ARG 73 HE ARG 73 6.143 9.204 -7.578 534 HH11 ARG 73 2HH1 ARG 73 2.901 10.259 -8.284 535 HH12 ARG 73 1HH1 ARG 73 3.017 11.690 -7.315 536 HH21 ARG 73 2HH2 ARG 73 6.307 11.085 -6.299 537 HH22 ARG 73 1HH2 ARG 73 4.955 12.160 -6.187 538 H ASP 74 H ASP 74 8.941 5.715 -8.334 539 HA ASP 74 HA ASP 74 9.459 3.074 -7.383 540 HB2 ASP 74 1HB ASP 74 11.522 3.967 -6.525 541 HB3 ASP 74 2HB ASP 74 11.227 4.692 -8.104 542 H ILE 75 H ILE 75 8.934 2.175 -5.501 543 HA ILE 75 HA ILE 75 8.032 3.939 -3.318 544 HB ILE 75 HB ILE 75 6.505 2.130 -2.608 545 HG12 ILE 75 1HG1 ILE 75 6.024 0.487 -4.645 546 HG13 ILE 75 2HG1 ILE 75 7.725 0.795 -4.981 547 HG21 ILE 75 1HG2 ILE 75 6.222 3.891 -4.798 548 HG22 ILE 75 2HG2 ILE 75 5.402 2.389 -5.223 549 HG23 ILE 75 3HG2 ILE 75 4.962 3.246 -3.746 550 HD11 ILE 75 1HD1 ILE 75 7.802 0.241 -2.329 551 HD12 ILE 75 2HD1 ILE 75 6.476 -0.791 -2.867 552 HD13 ILE 75 3HD1 ILE 75 8.066 -0.937 -3.615 553 H ALA 76 H ALA 76 9.615 0.905 -4.179 554 HA ALA 76 HA ALA 76 10.213 -0.106 -1.683 555 HB1 ALA 76 1HB ALA 76 11.132 -0.505 -4.367 556 HB2 ALA 76 2HB ALA 76 12.499 -0.553 -3.253 557 HB3 ALA 76 3HB ALA 76 11.125 -1.632 -3.010 558 H GLU 77 H GLU 77 11.814 2.478 -3.463 559 HA GLU 77 HA GLU 77 14.004 2.730 -1.649 560 HB2 GLU 77 1HB GLU 77 12.933 4.336 -3.931 561 HB3 GLU 77 2HB GLU 77 14.089 5.083 -2.838 562 HG2 GLU 77 1HG GLU 77 15.575 3.074 -3.274 563 HG3 GLU 77 2HG GLU 77 14.476 2.684 -4.596 564 H HIS 78 H HIS 78 10.748 3.784 -1.635 565 HA HIS 78 HA HIS 78 11.227 5.950 0.245 566 HB2 HIS 78 1HB HIS 78 8.645 4.839 -0.875 567 HB3 HIS 78 2HB HIS 78 8.775 6.265 0.150 568 HD1 HIS 78 1HD HIS 78 7.659 7.569 -1.873 569 HD2 HIS 78 2HD HIS 78 11.463 6.062 -2.594 570 HE1 HIS 78 1HE HIS 78 8.475 8.760 -3.932 571 HE2 HIS 78 2HE HIS 78 10.744 7.771 -4.398 572 H THR 79 H THR 79 9.858 6.021 2.252 573 HA THR 79 HA THR 79 10.261 3.559 3.722 574 HB THR 79 HB THR 79 9.451 4.930 5.682 575 HG1 THR 79 1HG THR 79 8.392 6.665 5.057 576 HG21 THR 79 1HG2 THR 79 11.502 6.586 5.417 577 HG22 THR 79 2HG2 THR 79 11.854 5.545 4.037 578 HG23 THR 79 3HG2 THR 79 11.740 4.856 5.656 579 H HIS 80 H HIS 80 8.472 3.046 5.409 580 HA HIS 80 HA HIS 80 6.258 2.027 4.069 581 HB2 HIS 80 1HB HIS 80 6.938 1.097 6.186 582 HB3 HIS 80 2HB HIS 80 6.644 2.628 7.006 583 HD1 HIS 80 1HD HIS 80 4.986 -0.476 5.924 584 HD2 HIS 80 2HD HIS 80 3.864 3.273 7.318 585 HE1 HIS 80 1HE HIS 80 2.574 -0.704 6.596 586 HE2 HIS 80 2HE HIS 80 1.892 1.599 7.357 587 H ASP 81 H ASP 81 6.471 4.913 6.139 588 HA ASP 81 HA ASP 81 3.841 5.740 6.039 589 HB2 ASP 81 1HB ASP 81 6.302 7.501 6.001 590 HB3 ASP 81 2HB ASP 81 4.681 8.010 6.469 591 H GLN 82 H GLN 82 6.437 6.984 3.926 592 HA GLN 82 HA GLN 82 5.013 8.507 2.201 593 HB2 GLN 82 1HB GLN 82 7.549 7.746 2.229 594 HB3 GLN 82 2HB GLN 82 6.994 6.639 0.981 595 HG2 GLN 82 1HG GLN 82 6.954 9.639 0.948 596 HG3 GLN 82 2HG GLN 82 7.824 8.545 -0.126 597 HE21 GLN 82 1HE2 GLN 82 5.718 10.697 -0.492 598 HE22 GLN 82 2HE2 GLN 82 4.529 9.948 -1.497 599 H VAL 83 H VAL 83 5.504 4.998 1.844 600 HA VAL 83 HA VAL 83 4.032 4.607 -0.473 601 HB VAL 83 HB VAL 83 4.452 2.779 1.888 602 HG11 VAL 83 1HG1 VAL 83 2.829 2.410 -0.562 603 HG12 VAL 83 2HG1 VAL 83 3.845 1.058 -0.056 604 HG13 VAL 83 3HG1 VAL 83 2.632 1.713 1.046 605 HG21 VAL 83 1HG2 VAL 83 5.887 1.632 0.062 606 HG22 VAL 83 2HG2 VAL 83 5.793 3.191 -0.757 607 HG23 VAL 83 3HG2 VAL 83 6.507 3.082 0.852 608 H VAL 84 H VAL 84 2.922 4.538 2.901 609 HA VAL 84 HA VAL 84 0.276 3.819 2.476 610 HB VAL 84 HB VAL 84 1.387 5.688 4.573 611 HG11 VAL 84 1HG1 VAL 84 -1.253 4.231 4.500 612 HG12 VAL 84 2HG1 VAL 84 -0.632 5.180 5.853 613 HG13 VAL 84 3HG1 VAL 84 -1.025 5.971 4.325 614 HG21 VAL 84 1HG2 VAL 84 0.661 3.160 5.611 615 HG22 VAL 84 2HG2 VAL 84 1.640 2.877 4.171 616 HG23 VAL 84 3HG2 VAL 84 2.272 3.867 5.487 617 H LEU 85 H LEU 85 1.884 6.829 1.867 618 HA LEU 85 HA LEU 85 -0.551 8.364 1.647 619 HB2 LEU 85 1HB LEU 85 2.355 8.894 1.296 620 HB3 LEU 85 2HB LEU 85 1.206 9.985 0.525 621 HG LEU 85 HG LEU 85 0.179 10.334 2.799 622 HD11 LEU 85 1HD1 LEU 85 1.814 9.850 4.691 623 HD12 LEU 85 2HD1 LEU 85 2.585 8.717 3.581 624 HD13 LEU 85 3HD1 LEU 85 0.900 8.486 4.047 625 HD21 LEU 85 1HD2 LEU 85 1.573 12.035 1.874 626 HD22 LEU 85 2HD2 LEU 85 3.037 11.138 2.280 627 HD23 LEU 85 3HD2 LEU 85 2.038 11.825 3.562 628 H PHE 86 H PHE 86 1.855 6.995 -0.567 629 HA PHE 86 HA PHE 86 1.045 7.965 -2.979 630 HB2 PHE 86 1HB PHE 86 2.190 5.360 -2.108 631 HB3 PHE 86 2HB PHE 86 1.559 5.458 -3.748 632 HD1 PHE 86 2HD PHE 86 2.264 8.161 -4.557 633 HD2 PHE 86 1HD PHE 86 4.488 5.326 -2.291 634 HE1 PHE 86 2HE PHE 86 4.359 9.216 -5.299 635 HE2 PHE 86 1HE PHE 86 6.587 6.377 -3.029 636 HZ PHE 86 HZ PHE 86 6.524 8.324 -4.536 637 H ILE 87 H ILE 87 -0.623 5.663 -0.966 638 HA ILE 87 HA ILE 87 -2.504 4.888 -3.008 639 HB ILE 87 HB ILE 87 -2.774 4.447 -0.038 640 HG12 ILE 87 1HG1 ILE 87 -1.618 2.409 -1.907 641 HG13 ILE 87 2HG1 ILE 87 -0.576 3.654 -1.227 642 HG21 ILE 87 1HG2 ILE 87 -3.736 2.489 -2.026 643 HG22 ILE 87 2HG2 ILE 87 -4.458 3.013 -0.506 644 HG23 ILE 87 3HG2 ILE 87 -4.608 4.020 -1.946 645 HD11 ILE 87 1HD1 ILE 87 -1.413 1.221 -0.061 646 HD12 ILE 87 2HD1 ILE 87 -0.366 2.467 0.620 647 HD13 ILE 87 3HD1 ILE 87 -2.109 2.540 0.881 648 H LYS 88 H LYS 88 -2.738 6.719 0.043 649 HA LYS 88 HA LYS 88 -5.384 7.516 -0.171 650 HB2 LYS 88 1HB LYS 88 -2.991 8.805 1.121 651 HB3 LYS 88 2HB LYS 88 -4.584 9.546 1.199 652 HG2 LYS 88 1HG LYS 88 -5.436 7.434 2.216 653 HG3 LYS 88 2HG LYS 88 -3.768 6.860 2.282 654 HD2 LYS 88 1HD LYS 88 -3.177 8.812 3.664 655 HD3 LYS 88 2HD LYS 88 -4.865 9.328 3.632 656 HE2 LYS 88 1HE LYS 88 -3.845 6.721 4.756 657 HE3 LYS 88 2HE LYS 88 -4.299 8.136 5.704 658 HZ1 LYS 88 1HZ LYS 88 -6.484 7.706 4.171 659 HZ2 LYS 88 2HZ LYS 88 -6.302 7.191 5.771 660 HZ3 LYS 88 3HZ LYS 88 -5.967 6.129 4.498 661 H ALA 89 H ALA 89 -2.471 9.102 -1.427 662 HA ALA 89 HA ALA 89 -3.369 11.471 -2.353 663 HB1 ALA 89 1HB ALA 89 -1.128 10.988 -2.779 664 HB2 ALA 89 2HB ALA 89 -1.514 9.495 -3.635 665 HB3 ALA 89 3HB ALA 89 -1.856 11.054 -4.384 666 H SER 90 H SER 90 -3.990 8.324 -3.837 667 HA SER 90 HA SER 90 -5.044 8.862 -6.241 668 HB2 SER 90 1HB SER 90 -6.617 7.003 -5.929 669 HB3 SER 90 2HB SER 90 -5.046 6.614 -5.230 670 HG SER 90 HG SER 90 -6.563 6.056 -3.726 671 H CYS 91 H CYS 91 -6.941 9.114 -3.232 672 HA CYS 91 HA CYS 91 -9.345 9.949 -4.104 673 HB2 CYS 91 1HB CYS 91 -7.724 10.982 -1.782 674 HB3 CYS 91 2HB CYS 91 -9.379 11.505 -2.067 675 HG CYS 91 HG CYS 91 -8.518 9.084 -0.254 676 H GLU 92 H GLU 92 -6.547 12.107 -3.668 677 HA GLU 92 HA GLU 92 -7.965 14.194 -5.157 678 HB2 GLU 92 1HB GLU 92 -6.913 14.766 -2.974 679 HB3 GLU 92 2HB GLU 92 -5.344 14.372 -3.663 680 HG2 GLU 92 1HG GLU 92 -5.618 16.738 -3.706 681 HG3 GLU 92 2HG GLU 92 -5.701 16.139 -5.362 682 H ARG 93 H ARG 93 -7.680 12.838 -7.122 683 HA ARG 93 HA ARG 93 -5.090 13.441 -8.378 684 HB2 ARG 93 1HB ARG 93 -6.525 10.842 -8.200 685 HB3 ARG 93 2HB ARG 93 -5.727 11.221 -9.720 686 HG2 ARG 93 1HG ARG 93 -4.306 11.376 -7.081 687 HG3 ARG 93 2HG ARG 93 -4.401 9.887 -8.025 688 HD2 ARG 93 1HD ARG 93 -2.400 10.775 -8.749 689 HD3 ARG 93 2HD ARG 93 -3.523 11.381 -9.965 690 HE ARG 93 HE ARG 93 -3.007 13.490 -9.284 691 HH11 ARG 93 2HH1 ARG 93 -2.292 11.290 -6.682 692 HH12 ARG 93 1HH1 ARG 93 -1.617 12.515 -5.659 693 HH21 ARG 93 2HH2 ARG 93 -2.121 15.111 -7.946 694 HH22 ARG 93 1HH2 ARG 93 -1.521 14.688 -6.378 695 H HIS 94 H HIS 94 -5.146 13.907 -10.595 696 HA HIS 94 HA HIS 94 -7.289 15.387 -11.525 697 HB2 HIS 94 1HB HIS 94 -5.035 14.016 -12.982 698 HB3 HIS 94 2HB HIS 94 -6.226 15.001 -13.827 699 HD1 HIS 94 1HD HIS 94 -6.467 17.364 -11.904 700 HD2 HIS 94 2HD HIS 94 -2.851 15.629 -12.991 701 HE1 HIS 94 1HE HIS 94 -4.727 19.138 -11.519 702 HE2 HIS 94 2HE HIS 94 -2.559 18.095 -12.264 703 H SER 95 H SER 95 -6.450 12.020 -12.300 704 HA SER 95 HA SER 95 -8.917 11.687 -13.795 705 HB2 SER 95 1HB SER 95 -6.561 9.889 -13.236 706 HB3 SER 95 2HB SER 95 -8.026 9.290 -14.015 707 HG SER 95 HG SER 95 -7.678 10.662 -15.714 708 H GLY 96 H GLY 96 -7.393 10.228 -10.921 709 HA2 GLY 96 1HA GLY 96 -8.508 9.695 -8.919 710 HA3 GLY 96 2HA GLY 96 -10.045 9.861 -9.756 711 H GLU 97 H GLU 97 -7.395 7.732 -9.003 712 HA GLU 97 HA GLU 97 -9.003 5.422 -9.162 713 HB2 GLU 97 1HB GLU 97 -8.089 4.303 -11.079 714 HB3 GLU 97 2HB GLU 97 -8.704 5.865 -11.601 715 HG2 GLU 97 1HG GLU 97 -5.839 5.666 -10.853 716 HG3 GLU 97 2HG GLU 97 -6.359 4.961 -12.383 717 H LEU 98 H LEU 98 -7.457 3.376 -9.209 718 HA LEU 98 HA LEU 98 -5.041 4.007 -7.653 719 HB2 LEU 98 1HB LEU 98 -7.194 3.118 -6.416 720 HB3 LEU 98 2HB LEU 98 -6.620 1.564 -7.018 721 HG LEU 98 HG LEU 98 -5.933 2.038 -4.690 722 HD11 LEU 98 1HD1 LEU 98 -3.297 2.018 -5.703 723 HD12 LEU 98 2HD1 LEU 98 -4.313 1.163 -6.863 724 HD13 LEU 98 3HD1 LEU 98 -4.277 0.650 -5.176 725 HD21 LEU 98 1HD2 LEU 98 -4.402 3.753 -4.151 726 HD22 LEU 98 2HD2 LEU 98 -5.677 4.521 -5.098 727 HD23 LEU 98 3HD2 LEU 98 -4.125 4.145 -5.848 728 H MET 99 H MET 99 -3.249 2.950 -8.258 729 HA MET 99 HA MET 99 -3.522 0.550 -9.928 730 HB2 MET 99 1HB MET 99 -1.911 3.020 -10.537 731 HB3 MET 99 2HB MET 99 -1.534 1.463 -11.262 732 HG2 MET 99 1HG MET 99 -3.729 1.371 -12.277 733 HG3 MET 99 2HG MET 99 -4.175 2.886 -11.495 734 HE1 MET 99 1HE MET 99 -2.644 1.297 -14.699 735 HE2 MET 99 2HE MET 99 -4.271 1.967 -14.570 736 HE3 MET 99 3HE MET 99 -3.079 2.738 -15.618 737 H LEU 100 H LEU 100 -2.301 -1.077 -9.232 738 HA LEU 100 HA LEU 100 0.126 -0.469 -7.688 739 HB2 LEU 100 1HB LEU 100 -1.734 -2.726 -6.998 740 HB3 LEU 100 2HB LEU 100 -0.372 -2.114 -6.062 741 HG LEU 100 HG LEU 100 -2.775 -0.397 -6.581 742 HD11 LEU 100 1HD1 LEU 100 -3.602 -2.502 -5.642 743 HD12 LEU 100 2HD1 LEU 100 -3.745 -1.171 -4.494 744 HD13 LEU 100 3HD1 LEU 100 -2.451 -2.356 -4.312 745 HD21 LEU 100 1HD2 LEU 100 -0.557 -0.472 -4.554 746 HD22 LEU 100 2HD2 LEU 100 -2.023 0.480 -4.318 747 HD23 LEU 100 3HD2 LEU 100 -0.965 0.814 -5.689 748 H LEU 101 H LEU 101 1.835 -1.345 -8.632 749 HA LEU 101 HA LEU 101 1.485 -3.544 -10.512 750 HB2 LEU 101 1HB LEU 101 2.825 -1.515 -11.078 751 HB3 LEU 101 2HB LEU 101 3.987 -2.002 -9.846 752 HG LEU 101 HG LEU 101 4.269 -4.151 -11.176 753 HD11 LEU 101 1HD1 LEU 101 2.280 -4.029 -12.535 754 HD12 LEU 101 2HD1 LEU 101 3.705 -3.981 -13.571 755 HD13 LEU 101 3HD1 LEU 101 2.811 -2.499 -13.233 756 HD21 LEU 101 1HD2 LEU 101 5.900 -2.296 -11.132 757 HD22 LEU 101 2HD2 LEU 101 5.080 -1.574 -12.518 758 HD23 LEU 101 3HD2 LEU 101 5.868 -3.145 -12.678 759 H VAL 102 H VAL 102 1.326 -5.447 -9.460 760 HA VAL 102 HA VAL 102 3.265 -6.056 -7.342 761 HB VAL 102 HB VAL 102 1.839 -7.968 -6.795 762 HG11 VAL 102 1HG1 VAL 102 -0.358 -6.397 -6.507 763 HG12 VAL 102 2HG1 VAL 102 1.054 -6.348 -5.449 764 HG13 VAL 102 3HG1 VAL 102 0.899 -5.188 -6.769 765 HG21 VAL 102 1HG2 VAL 102 -0.469 -7.973 -7.936 766 HG22 VAL 102 2HG2 VAL 102 0.323 -7.055 -9.217 767 HG23 VAL 102 3HG2 VAL 102 0.895 -8.673 -8.808 768 H ARG 103 H ARG 103 4.277 -8.181 -7.326 769 HA ARG 103 HA ARG 103 4.905 -9.081 -10.055 770 HB2 ARG 103 1HB ARG 103 6.714 -8.155 -8.451 771 HB3 ARG 103 2HB ARG 103 6.563 -9.701 -7.627 772 HG2 ARG 103 1HG ARG 103 7.006 -10.774 -9.888 773 HG3 ARG 103 2HG ARG 103 7.496 -9.166 -10.426 774 HD2 ARG 103 1HD ARG 103 9.518 -9.983 -9.747 775 HD3 ARG 103 2HD ARG 103 8.964 -9.260 -8.238 776 HE ARG 103 HE ARG 103 8.068 -11.867 -8.209 777 HH11 ARG 103 2HH1 ARG 103 11.139 -10.237 -8.382 778 HH12 ARG 103 1HH1 ARG 103 12.005 -11.505 -7.580 779 HH21 ARG 103 2HH2 ARG 103 9.197 -13.544 -7.152 780 HH22 ARG 103 1HH2 ARG 103 10.899 -13.387 -6.882 781 HA PRO 104 HA PRO 104 2.548 -12.693 -8.763 782 HB2 PRO 104 1HB PRO 104 2.437 -13.785 -11.246 783 HB3 PRO 104 2HB PRO 104 1.369 -12.477 -10.724 784 HG2 PRO 104 1HG PRO 104 3.869 -12.341 -12.365 785 HG3 PRO 104 2HG PRO 104 2.330 -11.492 -12.599 786 HD2 PRO 104 1HD PRO 104 4.490 -10.309 -11.473 787 HD3 PRO 104 2HD PRO 104 2.826 -9.894 -11.013 788 H ASN 105 H ASN 105 3.089 -14.821 -8.376 789 HA ASN 105 HA ASN 105 5.822 -15.610 -9.141 790 HB2 ASN 105 1HB ASN 105 5.798 -17.013 -7.071 791 HB3 ASN 105 2HB ASN 105 5.692 -15.283 -6.755 792 HD21 ASN 105 1HD2 ASN 105 4.964 -16.673 -4.722 793 HD22 ASN 105 2HD2 ASN 105 3.248 -16.783 -4.547 794 H ALA 106 H ALA 106 5.130 -16.615 -11.067 795 HA ALA 106 HA ALA 106 3.077 -18.528 -11.234 796 HB1 ALA 106 1HB ALA 106 4.279 -19.257 -13.323 797 HB2 ALA 106 2HB ALA 106 3.862 -17.545 -13.243 798 HB3 ALA 106 3HB ALA 106 5.518 -18.064 -12.931 799 H VAL 107 H VAL 107 3.060 -20.210 -9.853 800 HA VAL 107 HA VAL 107 5.452 -21.933 -9.791 801 HB VAL 107 HB VAL 107 3.498 -21.456 -7.536 802 HG11 VAL 107 1HG1 VAL 107 4.178 -23.726 -7.432 803 HG12 VAL 107 2HG1 VAL 107 5.855 -23.311 -7.792 804 HG13 VAL 107 3HG1 VAL 107 5.146 -22.855 -6.243 805 HG21 VAL 107 1HG2 VAL 107 5.799 -20.022 -8.324 806 HG22 VAL 107 2HG2 VAL 107 4.842 -19.824 -6.856 807 HG23 VAL 107 3HG2 VAL 107 6.220 -20.924 -6.868 808 H TYR 108 H TYR 108 5.160 -24.003 -10.341 809 HA TYR 108 HA TYR 108 3.021 -24.986 -11.683 810 HB2 TYR 108 1HB TYR 108 5.327 -26.061 -11.239 811 HB3 TYR 108 2HB TYR 108 4.561 -26.791 -9.832 812 HD1 TYR 108 2HD TYR 108 4.471 -26.601 -13.524 813 HD2 TYR 108 1HD TYR 108 3.111 -28.658 -10.056 814 HE1 TYR 108 2HE TYR 108 3.601 -28.410 -14.945 815 HE2 TYR 108 1HE TYR 108 2.238 -30.473 -11.468 816 HH TYR 108 HH TYR 108 2.710 -31.408 -13.764 817 H ASP 109 H ASP 109 0.958 -25.224 -11.178 818 HA ASP 109 HA ASP 109 0.246 -25.837 -8.386 819 HB2 ASP 109 1HB ASP 109 -0.566 -23.649 -9.314 820 HB3 ASP 109 2HB ASP 109 -1.521 -24.560 -10.480 821 H VAL 110 H VAL 110 -0.702 -27.721 -7.963 822 HA VAL 110 HA VAL 110 -1.720 -29.302 -10.232 823 HB VAL 110 HB VAL 110 0.112 -30.480 -9.328 824 HG11 VAL 110 1HG1 VAL 110 -0.921 -29.479 -6.741 825 HG12 VAL 110 2HG1 VAL 110 -0.121 -31.051 -6.732 826 HG13 VAL 110 3HG1 VAL 110 0.737 -29.627 -7.320 827 HG21 VAL 110 1HG2 VAL 110 -2.150 -31.697 -9.598 828 HG22 VAL 110 2HG2 VAL 110 -0.840 -32.522 -8.753 829 HG23 VAL 110 3HG2 VAL 110 -2.143 -31.767 -7.836 830 H VAL 111 H VAL 111 -3.814 -29.787 -10.260 831 HA VAL 111 HA VAL 111 -5.533 -28.929 -8.125 832 HB VAL 111 HB VAL 111 -6.232 -28.711 -10.468 833 HG11 VAL 111 1HG1 VAL 111 -6.254 -30.387 -11.957 834 HG12 VAL 111 2HG1 VAL 111 -5.199 -31.213 -10.808 835 HG13 VAL 111 3HG1 VAL 111 -6.934 -31.533 -10.803 836 HG21 VAL 111 1HG2 VAL 111 -8.276 -28.720 -9.600 837 HG22 VAL 111 2HG2 VAL 111 -8.361 -30.460 -9.873 838 HG23 VAL 111 3HG2 VAL 111 -7.767 -29.837 -8.334 839 H GLU 112 H GLU 112 -6.431 -30.111 -6.547 840 HA GLU 112 HA GLU 112 -6.558 -33.006 -6.752 841 HB2 GLU 112 1HB GLU 112 -4.779 -31.544 -4.840 842 HB3 GLU 112 2HB GLU 112 -5.529 -33.053 -4.336 843 HG2 GLU 112 1HG GLU 112 -4.555 -34.023 -6.504 844 HG3 GLU 112 2HG GLU 112 -3.540 -32.582 -6.521 845 H GLU 113 H GLU 113 -8.098 -33.937 -5.416 846 HA GLU 113 HA GLU 113 -9.916 -32.023 -4.139 847 HB2 GLU 113 1HB GLU 113 -10.717 -33.624 -5.949 848 HB3 GLU 113 2HB GLU 113 -10.496 -34.913 -4.774 849 HG2 GLU 113 1HG GLU 113 -12.795 -34.270 -4.790 850 HG3 GLU 113 2HG GLU 113 -12.075 -33.753 -3.266 851 H SER 114 H SER 114 -7.649 -32.548 -2.685 852 HA SER 114 HA SER 114 -7.699 -34.685 -0.917 853 HB2 SER 114 1HB SER 114 -6.440 -33.125 0.639 854 HB3 SER 114 2HB SER 114 -5.758 -33.295 -0.978 855 HG SER 114 HG SER 114 -7.585 -31.230 -0.421 856 H GLY 115 H GLY 115 -8.928 -35.239 0.770 857 HA2 GLY 115 1HA GLY 115 -10.342 -33.271 2.336 858 HA3 GLY 115 2HA GLY 115 -11.395 -34.255 1.330 859 HA PRO 116 HA PRO 116 -9.254 -37.177 4.570 860 HB2 PRO 116 1HB PRO 116 -8.181 -35.918 6.723 861 HB3 PRO 116 2HB PRO 116 -7.251 -36.293 5.267 862 HG2 PRO 116 1HG PRO 116 -8.527 -33.712 6.088 863 HG3 PRO 116 2HG PRO 116 -6.928 -33.992 5.374 864 HD2 PRO 116 1HD PRO 116 -9.044 -33.136 3.917 865 HD3 PRO 116 2HD PRO 116 -7.775 -34.175 3.238 866 H SER 117 H SER 117 -9.794 -37.678 6.947 867 HA SER 117 HA SER 117 -11.818 -36.116 8.222 868 HB2 SER 117 1HB SER 117 -13.707 -37.570 7.926 869 HB3 SER 117 2HB SER 117 -13.081 -37.190 6.322 870 HG SER 117 HG SER 117 -12.512 -39.212 6.055 871 H SER 118 H SER 118 -12.684 -37.221 10.172 872 HA SER 118 HA SER 118 -10.948 -39.390 11.126 873 HB2 SER 118 1HB SER 118 -11.367 -36.694 12.360 874 HB3 SER 118 2HB SER 118 -11.105 -38.087 13.410 875 HG SER 118 HG SER 118 -9.297 -36.680 12.079 876 H GLY 119 H GLY 119 -11.821 -40.165 13.367 877 HA2 GLY 119 1HA GLY 119 -14.731 -40.508 13.038 878 HA3 GLY 119 2HA GLY 119 -13.660 -41.676 13.797 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -15.226 14.174 -24.021 2 HA2 GLY 1 1HA GLY 1 -14.783 11.976 -25.934 3 HA3 GLY 1 2HA GLY 1 -13.998 13.530 -26.181 4 H SER 2 H SER 2 -13.782 10.497 -24.710 5 HA SER 2 HA SER 2 -11.847 11.306 -22.702 6 HB2 SER 2 1HB SER 2 -13.485 9.488 -22.245 7 HB3 SER 2 2HB SER 2 -12.721 8.520 -23.506 8 HG SER 2 HG SER 2 -10.723 8.893 -22.207 9 H SER 3 H SER 3 -10.257 12.191 -24.124 10 HA SER 3 HA SER 3 -8.847 10.256 -25.819 11 HB2 SER 3 1HB SER 3 -7.858 12.109 -26.943 12 HB3 SER 3 2HB SER 3 -9.556 12.529 -26.718 13 HG SER 3 HG SER 3 -8.818 13.659 -24.773 14 H GLY 4 H GLY 4 -7.073 9.304 -25.080 15 HA2 GLY 4 1HA GLY 4 -4.774 10.072 -24.165 16 HA3 GLY 4 2HA GLY 4 -5.725 10.470 -22.742 17 H SER 5 H SER 5 -4.825 7.796 -24.882 18 HA SER 5 HA SER 5 -4.383 6.055 -22.659 19 HB2 SER 5 1HB SER 5 -6.865 5.733 -24.325 20 HB3 SER 5 2HB SER 5 -6.090 4.330 -23.590 21 HG SER 5 HG SER 5 -6.983 6.644 -22.207 22 H SER 6 H SER 6 -3.206 4.233 -23.217 23 HA SER 6 HA SER 6 -1.729 4.383 -25.625 24 HB2 SER 6 1HB SER 6 -1.006 3.371 -23.379 25 HB3 SER 6 2HB SER 6 -1.894 1.931 -23.876 26 HG SER 6 HG SER 6 0.529 2.342 -24.438 27 H GLY 7 H GLY 7 -1.449 2.356 -27.040 28 HA2 GLY 7 1HA GLY 7 -4.064 1.116 -27.593 29 HA3 GLY 7 2HA GLY 7 -3.169 1.899 -28.887 30 H ASN 8 H ASN 8 -2.548 -0.484 -26.304 31 HA ASN 8 HA ASN 8 -0.418 -1.786 -27.489 32 HB2 ASN 8 1HB ASN 8 -2.500 -3.301 -25.935 33 HB3 ASN 8 2HB ASN 8 -0.753 -3.520 -25.940 34 HD21 ASN 8 1HD2 ASN 8 -2.888 -2.903 -23.849 35 HD22 ASN 8 2HD2 ASN 8 -2.208 -1.594 -22.950 36 H GLY 9 H GLY 9 -0.549 -2.219 -29.645 37 HA2 GLY 9 1HA GLY 9 -2.797 -3.234 -30.990 38 HA3 GLY 9 2HA GLY 9 -1.140 -3.319 -31.570 39 H GLY 10 H GLY 10 -3.740 -5.154 -30.890 40 HA2 GLY 10 1HA GLY 10 -4.025 -7.428 -30.720 41 HA3 GLY 10 2HA GLY 10 -2.304 -7.593 -31.032 42 H ILE 11 H ILE 11 -1.386 -8.776 -29.502 43 HA ILE 11 HA ILE 11 -2.236 -8.349 -26.711 44 HB ILE 11 HB ILE 11 -0.973 -10.876 -27.758 45 HG12 ILE 11 1HG1 ILE 11 -3.397 -11.753 -27.505 46 HG13 ILE 11 2HG1 ILE 11 -3.866 -10.060 -27.625 47 HG21 ILE 11 1HG2 ILE 11 -0.735 -11.061 -25.515 48 HG22 ILE 11 2HG2 ILE 11 -2.051 -9.939 -25.173 49 HG23 ILE 11 3HG2 ILE 11 -2.408 -11.606 -25.620 50 HD11 ILE 11 1HD1 ILE 11 -3.408 -11.849 -29.710 51 HD12 ILE 11 2HD1 ILE 11 -3.675 -10.109 -29.826 52 HD13 ILE 11 3HD1 ILE 11 -2.033 -10.744 -29.726 53 HA PRO 12 HA PRO 12 1.941 -6.857 -26.249 54 HB2 PRO 12 1HB PRO 12 1.738 -6.309 -23.598 55 HB3 PRO 12 2HB PRO 12 1.054 -5.265 -24.849 56 HG2 PRO 12 1HG PRO 12 -0.301 -7.325 -23.152 57 HG3 PRO 12 2HG PRO 12 -0.856 -5.700 -23.596 58 HD2 PRO 12 1HD PRO 12 -1.752 -7.935 -24.835 59 HD3 PRO 12 2HD PRO 12 -1.582 -6.380 -25.675 60 H HIS 13 H HIS 13 3.674 -7.254 -24.457 61 HA HIS 13 HA HIS 13 3.829 -10.154 -24.084 62 HB2 HIS 13 1HB HIS 13 6.289 -9.392 -23.432 63 HB3 HIS 13 2HB HIS 13 5.797 -9.577 -25.113 64 HD1 HIS 13 1HD HIS 13 6.998 -7.780 -26.325 65 HD2 HIS 13 2HD HIS 13 5.291 -6.403 -22.797 66 HE1 HIS 13 1HE HIS 13 7.396 -5.297 -26.311 67 HE2 HIS 13 2HE HIS 13 6.429 -4.498 -24.127 68 H ASP 14 H ASP 14 2.117 -8.825 -22.340 69 HA ASP 14 HA ASP 14 2.989 -7.852 -19.966 70 HB2 ASP 14 1HB ASP 14 0.591 -8.604 -20.806 71 HB3 ASP 14 2HB ASP 14 0.946 -10.025 -19.828 72 H ASN 15 H ASN 15 4.047 -8.548 -18.193 73 HA ASN 15 HA ASN 15 4.835 -11.387 -18.114 74 HB2 ASN 15 1HB ASN 15 6.436 -8.900 -17.579 75 HB3 ASN 15 2HB ASN 15 6.896 -10.437 -16.853 76 HD21 ASN 15 1HD2 ASN 15 7.778 -12.024 -18.108 77 HD22 ASN 15 2HD2 ASN 15 8.238 -11.784 -19.755 78 H LEU 16 H LEU 16 4.763 -8.522 -15.985 79 HA LEU 16 HA LEU 16 4.146 -10.221 -13.709 80 HB2 LEU 16 1HB LEU 16 5.028 -7.421 -14.109 81 HB3 LEU 16 2HB LEU 16 4.088 -7.768 -12.660 82 HG LEU 16 HG LEU 16 5.910 -9.705 -12.435 83 HD11 LEU 16 1HD1 LEU 16 7.897 -7.785 -13.219 84 HD12 LEU 16 2HD1 LEU 16 6.894 -8.230 -14.599 85 HD13 LEU 16 3HD1 LEU 16 7.732 -9.480 -13.678 86 HD21 LEU 16 1HD2 LEU 16 6.048 -6.826 -11.596 87 HD22 LEU 16 2HD2 LEU 16 7.254 -8.005 -11.077 88 HD23 LEU 16 3HD2 LEU 16 5.557 -8.232 -10.651 89 H VAL 17 H VAL 17 2.375 -9.666 -12.240 90 HA VAL 17 HA VAL 17 -0.069 -9.239 -13.716 91 HB VAL 17 HB VAL 17 -0.125 -10.961 -12.059 92 HG11 VAL 17 1HG1 VAL 17 1.001 -8.850 -10.267 93 HG12 VAL 17 2HG1 VAL 17 0.083 -10.193 -9.584 94 HG13 VAL 17 3HG1 VAL 17 1.543 -10.508 -10.524 95 HG21 VAL 17 1HG2 VAL 17 -2.134 -9.467 -12.350 96 HG22 VAL 17 2HG2 VAL 17 -2.067 -10.361 -10.831 97 HG23 VAL 17 3HG2 VAL 17 -1.642 -8.650 -10.866 98 H LEU 18 H LEU 18 -1.617 -7.631 -13.302 99 HA LEU 18 HA LEU 18 -0.621 -5.276 -11.841 100 HB2 LEU 18 1HB LEU 18 -0.409 -4.620 -14.060 101 HB3 LEU 18 2HB LEU 18 -1.869 -5.475 -14.553 102 HG LEU 18 HG LEU 18 -3.074 -3.696 -13.071 103 HD11 LEU 18 1HD1 LEU 18 -1.977 -1.589 -12.898 104 HD12 LEU 18 2HD1 LEU 18 -0.579 -2.176 -13.797 105 HD13 LEU 18 3HD1 LEU 18 -0.915 -2.802 -12.183 106 HD21 LEU 18 1HD2 LEU 18 -3.781 -3.041 -15.068 107 HD22 LEU 18 2HD2 LEU 18 -2.438 -3.914 -15.806 108 HD23 LEU 18 3HD2 LEU 18 -2.254 -2.213 -15.375 109 H ILE 19 H ILE 19 -2.031 -4.274 -10.502 110 HA ILE 19 HA ILE 19 -4.674 -5.513 -10.214 111 HB ILE 19 HB ILE 19 -3.083 -3.815 -8.291 112 HG12 ILE 19 1HG1 ILE 19 -2.465 -6.282 -8.752 113 HG13 ILE 19 2HG1 ILE 19 -2.667 -5.778 -7.078 114 HG21 ILE 19 1HG2 ILE 19 -5.880 -4.879 -8.162 115 HG22 ILE 19 2HG2 ILE 19 -4.947 -4.595 -6.694 116 HG23 ILE 19 3HG2 ILE 19 -5.287 -3.260 -7.795 117 HD11 ILE 19 1HD1 ILE 19 -5.055 -6.848 -8.445 118 HD12 ILE 19 2HD1 ILE 19 -3.762 -7.986 -8.064 119 HD13 ILE 19 3HD1 ILE 19 -4.514 -7.042 -6.778 120 H ARG 20 H ARG 20 -6.555 -4.318 -10.176 121 HA ARG 20 HA ARG 20 -6.398 -1.433 -10.586 122 HB2 ARG 20 1HB ARG 20 -7.335 -3.414 -12.600 123 HB3 ARG 20 2HB ARG 20 -8.251 -1.921 -12.444 124 HG2 ARG 20 1HG ARG 20 -6.293 -0.610 -12.931 125 HG3 ARG 20 2HG ARG 20 -5.287 -2.060 -12.947 126 HD2 ARG 20 1HD ARG 20 -5.867 -1.274 -15.213 127 HD3 ARG 20 2HD ARG 20 -6.460 -2.901 -14.882 128 HE ARG 20 HE ARG 20 -8.369 -0.798 -14.374 129 HH11 ARG 20 2HH1 ARG 20 -7.080 -3.035 -16.709 130 HH12 ARG 20 1HH1 ARG 20 -8.501 -3.024 -17.700 131 HH21 ARG 20 2HH2 ARG 20 -10.247 -0.774 -15.670 132 HH22 ARG 20 1HH2 ARG 20 -10.302 -1.737 -17.108 133 H MET 21 H MET 21 -7.991 -0.370 -9.569 134 HA MET 21 HA MET 21 -10.582 -1.511 -9.129 135 HB2 MET 21 1HB MET 21 -10.542 -1.711 -6.760 136 HB3 MET 21 2HB MET 21 -9.144 -2.594 -7.359 137 HG2 MET 21 1HG MET 21 -8.813 0.251 -6.558 138 HG3 MET 21 2HG MET 21 -8.954 -0.982 -5.308 139 HE1 MET 21 1HE MET 21 -7.669 -2.995 -5.159 140 HE2 MET 21 2HE MET 21 -5.978 -3.182 -5.624 141 HE3 MET 21 3HE MET 21 -6.425 -2.027 -4.367 142 H LYS 22 H LYS 22 -11.837 -0.012 -7.518 143 HA LYS 22 HA LYS 22 -10.998 2.773 -7.991 144 HB2 LYS 22 1HB LYS 22 -13.240 3.409 -8.497 145 HB3 LYS 22 2HB LYS 22 -12.869 2.006 -9.491 146 HG2 LYS 22 1HG LYS 22 -14.047 0.586 -7.835 147 HG3 LYS 22 2HG LYS 22 -14.512 2.052 -6.969 148 HD2 LYS 22 1HD LYS 22 -15.135 1.678 -9.883 149 HD3 LYS 22 2HD LYS 22 -16.198 1.051 -8.622 150 HE2 LYS 22 1HE LYS 22 -15.316 3.899 -8.509 151 HE3 LYS 22 2HE LYS 22 -16.585 3.436 -9.641 152 HZ1 LYS 22 1HZ LYS 22 -16.859 3.980 -6.944 153 HZ2 LYS 22 2HZ LYS 22 -17.088 2.312 -7.096 154 HZ3 LYS 22 3HZ LYS 22 -18.043 3.382 -7.993 155 HA PRO 23 HA PRO 23 -11.583 3.476 -3.696 156 HB2 PRO 23 1HB PRO 23 -12.324 6.088 -3.704 157 HB3 PRO 23 2HB PRO 23 -10.672 5.557 -4.041 158 HG2 PRO 23 1HG PRO 23 -12.840 6.333 -5.954 159 HG3 PRO 23 2HG PRO 23 -11.117 6.754 -5.984 160 HD2 PRO 23 1HD PRO 23 -12.165 4.796 -7.532 161 HD3 PRO 23 2HD PRO 23 -10.508 4.728 -6.897 162 H ASP 24 H ASP 24 -13.155 3.423 -2.145 163 HA ASP 24 HA ASP 24 -15.830 2.908 -2.969 164 HB2 ASP 24 1HB ASP 24 -14.489 2.044 -0.884 165 HB3 ASP 24 2HB ASP 24 -15.120 3.500 -0.120 166 H GLU 25 H GLU 25 -17.568 4.043 -1.347 167 HA GLU 25 HA GLU 25 -17.853 6.669 -2.375 168 HB2 GLU 25 1HB GLU 25 -19.358 5.262 -0.163 169 HB3 GLU 25 2HB GLU 25 -19.840 6.788 -0.891 170 HG2 GLU 25 1HG GLU 25 -20.477 5.805 -2.866 171 HG3 GLU 25 2HG GLU 25 -19.423 4.411 -2.636 172 H ASN 26 H ASN 26 -16.075 5.471 0.212 173 HA ASN 26 HA ASN 26 -16.019 8.119 1.503 174 HB2 ASN 26 1HB ASN 26 -15.927 5.358 2.617 175 HB3 ASN 26 2HB ASN 26 -14.963 6.593 3.421 176 HD21 ASN 26 1HD2 ASN 26 -17.326 5.125 4.332 177 HD22 ASN 26 2HD2 ASN 26 -18.493 6.327 4.754 178 H GLY 27 H GLY 27 -14.406 6.559 -0.716 179 HA2 GLY 27 1HA GLY 27 -12.234 6.515 -1.458 180 HA3 GLY 27 2HA GLY 27 -12.024 7.962 -0.484 181 H ARG 28 H ARG 28 -12.452 4.474 0.141 182 HA ARG 28 HA ARG 28 -9.923 4.453 1.591 183 HB2 ARG 28 1HB ARG 28 -10.893 3.414 3.570 184 HB3 ARG 28 2HB ARG 28 -11.615 4.994 3.292 185 HG2 ARG 28 1HG ARG 28 -13.541 3.841 2.206 186 HG3 ARG 28 2HG ARG 28 -12.834 2.306 2.714 187 HD2 ARG 28 1HD ARG 28 -13.481 4.540 4.625 188 HD3 ARG 28 2HD ARG 28 -14.619 3.255 4.225 189 HE ARG 28 HE ARG 28 -12.363 3.074 5.972 190 HH11 ARG 28 2HH1 ARG 28 -14.396 1.276 3.791 191 HH12 ARG 28 1HH1 ARG 28 -14.088 -0.249 4.554 192 HH21 ARG 28 2HH2 ARG 28 -11.950 1.072 6.985 193 HH22 ARG 28 1HH2 ARG 28 -12.697 -0.364 6.371 194 H PHE 29 H PHE 29 -8.800 2.725 1.001 195 HA PHE 29 HA PHE 29 -10.091 0.594 -0.469 196 HB2 PHE 29 1HB PHE 29 -7.175 0.893 0.276 197 HB3 PHE 29 2HB PHE 29 -7.843 -0.197 -0.934 198 HD1 PHE 29 1HD PHE 29 -8.969 0.812 -2.963 199 HD2 PHE 29 2HD PHE 29 -6.566 3.076 -0.277 200 HE1 PHE 29 1HE PHE 29 -8.691 2.550 -4.683 201 HE2 PHE 29 2HE PHE 29 -6.285 4.818 -1.992 202 HZ PHE 29 HZ PHE 29 -7.348 4.557 -4.198 203 H GLY 30 H GLY 30 -9.028 -1.697 0.042 204 HA2 GLY 30 1HA GLY 30 -9.199 -2.135 2.955 205 HA3 GLY 30 2HA GLY 30 -10.117 -3.131 1.836 206 H PHE 31 H PHE 31 -6.784 -2.101 2.531 207 HA PHE 31 HA PHE 31 -5.839 -4.789 2.536 208 HB2 PHE 31 1HB PHE 31 -4.508 -4.819 0.576 209 HB3 PHE 31 2HB PHE 31 -6.091 -4.246 0.059 210 HD1 PHE 31 1HD PHE 31 -2.645 -3.195 0.858 211 HD2 PHE 31 2HD PHE 31 -6.366 -2.109 -0.901 212 HE1 PHE 31 1HE PHE 31 -1.595 -1.198 -0.123 213 HE2 PHE 31 2HE PHE 31 -5.321 -0.111 -1.886 214 HZ PHE 31 HZ PHE 31 -2.932 0.346 -1.498 215 H ASN 32 H ASN 32 -4.138 -4.889 3.856 216 HA ASN 32 HA ASN 32 -2.806 -2.380 4.579 217 HB2 ASN 32 1HB ASN 32 -3.359 -4.939 5.994 218 HB3 ASN 32 2HB ASN 32 -1.885 -4.079 6.429 219 HD21 ASN 32 1HD2 ASN 32 -2.692 -3.672 8.496 220 HD22 ASN 32 2HD2 ASN 32 -3.902 -2.472 8.780 221 H VAL 33 H VAL 33 -0.493 -2.361 4.904 222 HA VAL 33 HA VAL 33 0.955 -4.404 3.358 223 HB VAL 33 HB VAL 33 2.414 -2.663 2.420 224 HG11 VAL 33 1HG1 VAL 33 -0.389 -1.866 1.736 225 HG12 VAL 33 2HG1 VAL 33 1.006 -2.070 0.674 226 HG13 VAL 33 3HG1 VAL 33 0.201 -3.483 1.357 227 HG21 VAL 33 1HG2 VAL 33 0.586 -0.452 3.012 228 HG22 VAL 33 2HG2 VAL 33 1.463 -1.064 4.414 229 HG23 VAL 33 3HG2 VAL 33 2.349 -0.496 3.000 230 H LYS 34 H LYS 34 3.158 -4.703 3.937 231 HA LYS 34 HA LYS 34 3.979 -3.473 6.476 232 HB2 LYS 34 1HB LYS 34 4.748 -5.617 7.323 233 HB3 LYS 34 2HB LYS 34 3.032 -5.701 6.949 234 HG2 LYS 34 1HG LYS 34 3.535 -6.846 4.856 235 HG3 LYS 34 2HG LYS 34 5.261 -6.749 5.215 236 HD2 LYS 34 1HD LYS 34 5.081 -8.241 7.018 237 HD3 LYS 34 2HD LYS 34 3.327 -8.062 7.102 238 HE2 LYS 34 1HE LYS 34 3.449 -10.079 6.045 239 HE3 LYS 34 2HE LYS 34 3.477 -9.016 4.639 240 HZ1 LYS 34 1HZ LYS 34 6.073 -9.171 5.200 241 HZ2 LYS 34 2HZ LYS 34 5.287 -10.221 4.132 242 HZ3 LYS 34 3HZ LYS 34 5.573 -10.699 5.729 243 H GLY 35 H GLY 35 6.222 -3.298 6.801 244 HA2 GLY 35 1HA GLY 35 8.485 -3.472 6.207 245 HA3 GLY 35 2HA GLY 35 8.007 -4.212 4.686 246 H GLY 36 H GLY 36 9.911 -2.481 4.355 247 HA2 GLY 36 1HA GLY 36 8.941 -0.566 2.598 248 HA3 GLY 36 2HA GLY 36 9.137 0.244 4.145 249 H TYR 37 H TYR 37 10.742 1.592 3.219 250 HA TYR 37 HA TYR 37 13.157 0.416 2.167 251 HB2 TYR 37 1HB TYR 37 12.721 2.442 1.131 252 HB3 TYR 37 2HB TYR 37 12.163 3.202 2.617 253 HD1 TYR 37 1HD TYR 37 13.770 4.104 4.233 254 HD2 TYR 37 2HD TYR 37 15.062 2.407 0.551 255 HE1 TYR 37 1HE TYR 37 15.976 5.149 4.533 256 HE2 TYR 37 2HE TYR 37 17.272 3.446 0.841 257 HH TYR 37 HH TYR 37 18.099 5.215 3.784 258 H ASP 38 H ASP 38 12.220 2.189 5.094 259 HA ASP 38 HA ASP 38 14.746 2.239 6.311 260 HB2 ASP 38 1HB ASP 38 13.234 3.665 7.329 261 HB3 ASP 38 2HB ASP 38 11.934 2.477 7.299 262 H GLN 39 H GLN 39 12.412 -0.292 5.975 263 HA GLN 39 HA GLN 39 13.732 -1.942 7.992 264 HB2 GLN 39 1HB GLN 39 11.167 -2.159 6.457 265 HB3 GLN 39 2HB GLN 39 11.868 -3.591 7.200 266 HG2 GLN 39 1HG GLN 39 11.251 -1.063 8.705 267 HG3 GLN 39 2HG GLN 39 10.138 -2.423 8.566 268 HE21 GLN 39 1HE2 GLN 39 10.981 -1.533 11.014 269 HE22 GLN 39 2HE2 GLN 39 12.012 -2.715 11.738 270 H LYS 40 H LYS 40 14.277 -1.190 4.875 271 HA LYS 40 HA LYS 40 15.306 -2.184 3.098 272 HB2 LYS 40 1HB LYS 40 16.501 -3.881 5.298 273 HB3 LYS 40 2HB LYS 40 17.150 -3.701 3.673 274 HG2 LYS 40 1HG LYS 40 17.116 -1.141 4.334 275 HG3 LYS 40 2HG LYS 40 17.205 -1.817 5.962 276 HD2 LYS 40 1HD LYS 40 19.061 -2.836 3.860 277 HD3 LYS 40 2HD LYS 40 19.390 -1.274 4.613 278 HE2 LYS 40 1HE LYS 40 18.868 -3.769 6.210 279 HE3 LYS 40 2HE LYS 40 20.483 -3.308 5.672 280 HZ1 LYS 40 1HZ LYS 40 20.351 -1.300 6.921 281 HZ2 LYS 40 2HZ LYS 40 19.924 -2.569 7.954 282 HZ3 LYS 40 3HZ LYS 40 18.725 -1.565 7.309 283 H MET 41 H MET 41 12.741 -3.128 3.433 284 HA MET 41 HA MET 41 13.019 -5.833 2.363 285 HB2 MET 41 1HB MET 41 11.472 -6.830 3.795 286 HB3 MET 41 2HB MET 41 12.425 -5.824 4.877 287 HG2 MET 41 1HG MET 41 10.708 -4.155 4.934 288 HG3 MET 41 2HG MET 41 9.783 -5.005 3.699 289 HE1 MET 41 1HE MET 41 9.126 -8.162 4.811 290 HE2 MET 41 2HE MET 41 7.650 -7.309 5.262 291 HE3 MET 41 3HE MET 41 8.549 -6.817 3.826 292 HA PRO 42 HA PRO 42 10.085 -4.471 -0.606 293 HB2 PRO 42 1HB PRO 42 8.855 -6.810 -1.230 294 HB3 PRO 42 2HB PRO 42 10.505 -6.427 -1.737 295 HG2 PRO 42 1HG PRO 42 9.570 -8.107 0.558 296 HG3 PRO 42 2HG PRO 42 10.883 -8.416 -0.593 297 HD2 PRO 42 1HD PRO 42 11.327 -7.465 1.903 298 HD3 PRO 42 2HD PRO 42 12.353 -7.033 0.520 299 H VAL 43 H VAL 43 7.872 -4.046 -0.957 300 HA VAL 43 HA VAL 43 6.275 -4.088 1.462 301 HB VAL 43 HB VAL 43 5.532 -2.945 -1.231 302 HG11 VAL 43 1HG1 VAL 43 4.518 -1.794 1.288 303 HG12 VAL 43 2HG1 VAL 43 3.703 -2.048 -0.256 304 HG13 VAL 43 3HG1 VAL 43 3.907 -3.393 0.866 305 HG21 VAL 43 1HG2 VAL 43 7.307 -1.601 -0.840 306 HG22 VAL 43 2HG2 VAL 43 6.172 -0.785 0.235 307 HG23 VAL 43 3HG2 VAL 43 7.327 -1.945 0.890 308 H ILE 44 H ILE 44 4.957 -5.713 1.918 309 HA ILE 44 HA ILE 44 3.553 -7.057 -0.291 310 HB ILE 44 HB ILE 44 4.683 -8.447 2.140 311 HG12 ILE 44 1HG1 ILE 44 6.018 -9.642 0.255 312 HG13 ILE 44 2HG1 ILE 44 5.623 -8.222 -0.706 313 HG21 ILE 44 1HG2 ILE 44 2.484 -9.213 0.905 314 HG22 ILE 44 2HG2 ILE 44 3.640 -9.881 -0.246 315 HG23 ILE 44 3HG2 ILE 44 3.688 -10.384 1.443 316 HD11 ILE 44 1HD1 ILE 44 7.648 -8.573 1.299 317 HD12 ILE 44 2HD1 ILE 44 7.417 -7.255 0.149 318 HD13 ILE 44 3HD1 ILE 44 6.590 -7.222 1.706 319 H VAL 45 H VAL 45 1.433 -7.559 0.058 320 HA VAL 45 HA VAL 45 -0.051 -6.095 1.895 321 HB VAL 45 HB VAL 45 -0.823 -8.658 0.495 322 HG11 VAL 45 1HG1 VAL 45 -2.158 -7.346 2.566 323 HG12 VAL 45 2HG1 VAL 45 -3.000 -6.869 1.090 324 HG13 VAL 45 3HG1 VAL 45 -2.810 -8.578 1.486 325 HG21 VAL 45 1HG2 VAL 45 -1.706 -7.330 -1.231 326 HG22 VAL 45 2HG2 VAL 45 -1.583 -5.854 -0.274 327 HG23 VAL 45 3HG2 VAL 45 -0.123 -6.632 -0.885 328 H SER 46 H SER 46 -0.600 -6.363 3.966 329 HA SER 46 HA SER 46 0.445 -8.674 5.386 330 HB2 SER 46 1HB SER 46 0.828 -6.435 6.321 331 HB3 SER 46 2HB SER 46 -0.913 -6.175 6.427 332 HG SER 46 HG SER 46 0.582 -7.192 8.269 333 H ARG 47 H ARG 47 -2.672 -6.936 5.314 334 HA ARG 47 HA ARG 47 -4.067 -9.497 5.405 335 HB2 ARG 47 1HB ARG 47 -3.724 -8.654 7.768 336 HB3 ARG 47 2HB ARG 47 -4.755 -7.293 7.347 337 HG2 ARG 47 1HG ARG 47 -6.285 -8.685 8.301 338 HG3 ARG 47 2HG ARG 47 -6.413 -9.194 6.616 339 HD2 ARG 47 1HD ARG 47 -4.719 -10.977 7.138 340 HD3 ARG 47 2HD ARG 47 -4.889 -10.539 8.837 341 HE ARG 47 HE ARG 47 -6.894 -11.642 8.886 342 HH11 ARG 47 2HH1 ARG 47 -5.958 -11.117 5.574 343 HH12 ARG 47 1HH1 ARG 47 -7.228 -12.099 4.922 344 HH21 ARG 47 2HH2 ARG 47 -8.571 -12.937 8.040 345 HH22 ARG 47 1HH2 ARG 47 -8.715 -13.133 6.326 346 H VAL 48 H VAL 48 -6.240 -9.399 4.693 347 HA VAL 48 HA VAL 48 -7.078 -6.843 3.507 348 HB VAL 48 HB VAL 48 -7.277 -9.505 2.093 349 HG11 VAL 48 1HG1 VAL 48 -8.628 -7.016 1.738 350 HG12 VAL 48 2HG1 VAL 48 -7.587 -7.312 0.344 351 HG13 VAL 48 3HG1 VAL 48 -8.794 -8.510 0.816 352 HG21 VAL 48 1HG2 VAL 48 -5.491 -8.879 0.715 353 HG22 VAL 48 2HG2 VAL 48 -5.542 -7.201 1.257 354 HG23 VAL 48 3HG2 VAL 48 -4.950 -8.460 2.341 355 H ALA 49 H ALA 49 -8.960 -6.309 4.382 356 HA ALA 49 HA ALA 49 -10.689 -8.303 5.558 357 HB1 ALA 49 1HB ALA 49 -11.115 -5.328 5.314 358 HB2 ALA 49 2HB ALA 49 -11.995 -6.441 6.363 359 HB3 ALA 49 3HB ALA 49 -10.284 -6.125 6.651 360 HA PRO 50 HA PRO 50 -13.402 -8.863 2.142 361 HB2 PRO 50 1HB PRO 50 -15.674 -9.536 3.467 362 HB3 PRO 50 2HB PRO 50 -14.289 -10.625 3.320 363 HG2 PRO 50 1HG PRO 50 -15.080 -8.866 5.609 364 HG3 PRO 50 2HG PRO 50 -14.493 -10.539 5.635 365 HD2 PRO 50 1HD PRO 50 -12.893 -8.425 6.185 366 HD3 PRO 50 2HD PRO 50 -12.290 -9.901 5.406 367 H GLY 51 H GLY 51 -15.410 -8.068 1.186 368 HA2 GLY 51 1HA GLY 51 -16.913 -6.416 0.647 369 HA3 GLY 51 2HA GLY 51 -16.937 -5.991 2.352 370 H THR 52 H THR 52 -14.184 -5.945 0.130 371 HA THR 52 HA THR 52 -14.130 -3.011 0.343 372 HB THR 52 HB THR 52 -11.586 -3.223 0.407 373 HG1 THR 52 1HG THR 52 -11.114 -5.346 1.604 374 HG21 THR 52 1HG2 THR 52 -13.547 -3.412 2.509 375 HG22 THR 52 2HG2 THR 52 -12.015 -2.538 2.485 376 HG23 THR 52 3HG2 THR 52 -12.059 -4.230 2.979 377 HA PRO 53 HA PRO 53 -13.452 -2.963 -3.995 378 HB2 PRO 53 1HB PRO 53 -11.907 -0.747 -4.264 379 HB3 PRO 53 2HB PRO 53 -13.630 -0.675 -3.878 380 HG2 PRO 53 1HG PRO 53 -11.269 -0.453 -2.052 381 HG3 PRO 53 2HG PRO 53 -12.761 0.505 -2.073 382 HD2 PRO 53 1HD PRO 53 -12.354 -1.518 -0.320 383 HD3 PRO 53 2HD PRO 53 -13.963 -1.109 -0.950 384 H ALA 54 H ALA 54 -11.029 -3.697 -1.839 385 HA ALA 54 HA ALA 54 -8.991 -3.997 -3.938 386 HB1 ALA 54 1HB ALA 54 -8.338 -4.490 -1.085 387 HB2 ALA 54 2HB ALA 54 -7.360 -3.770 -2.364 388 HB3 ALA 54 3HB ALA 54 -8.633 -2.827 -1.590 389 H ASP 55 H ASP 55 -11.356 -5.728 -2.385 390 HA ASP 55 HA ASP 55 -9.873 -8.261 -2.586 391 HB2 ASP 55 1HB ASP 55 -11.086 -7.529 -0.410 392 HB3 ASP 55 2HB ASP 55 -12.559 -7.975 -1.268 393 H LEU 56 H LEU 56 -13.105 -6.901 -3.231 394 HA LEU 56 HA LEU 56 -13.937 -9.047 -4.882 395 HB2 LEU 56 1HB LEU 56 -14.974 -6.222 -4.928 396 HB3 LEU 56 2HB LEU 56 -15.818 -7.679 -5.448 397 HG LEU 56 HG LEU 56 -14.988 -7.265 -2.590 398 HD11 LEU 56 1HD1 LEU 56 -17.310 -6.487 -2.192 399 HD12 LEU 56 2HD1 LEU 56 -17.527 -6.363 -3.937 400 HD13 LEU 56 3HD1 LEU 56 -16.333 -5.352 -3.123 401 HD21 LEU 56 1HD2 LEU 56 -15.930 -9.249 -2.281 402 HD22 LEU 56 2HD2 LEU 56 -16.148 -9.388 -4.025 403 HD23 LEU 56 3HD2 LEU 56 -17.428 -8.694 -3.029 404 H CYS 57 H CYS 57 -11.992 -6.264 -5.441 405 HA CYS 57 HA CYS 57 -12.389 -5.879 -8.186 406 HB2 CYS 57 1HB CYS 57 -10.168 -4.804 -8.167 407 HB3 CYS 57 2HB CYS 57 -11.167 -4.272 -6.821 408 HG CYS 57 HG CYS 57 -8.178 -5.044 -6.549 409 H VAL 58 H VAL 58 -10.579 -6.294 -9.834 410 HA VAL 58 HA VAL 58 -9.348 -8.928 -9.482 411 HB VAL 58 HB VAL 58 -11.033 -8.210 -11.886 412 HG11 VAL 58 1HG1 VAL 58 -9.716 -10.838 -11.229 413 HG12 VAL 58 2HG1 VAL 58 -10.542 -10.386 -12.721 414 HG13 VAL 58 3HG1 VAL 58 -9.006 -9.630 -12.299 415 HG21 VAL 58 1HG2 VAL 58 -11.585 -9.763 -9.416 416 HG22 VAL 58 2HG2 VAL 58 -12.661 -8.753 -10.382 417 HG23 VAL 58 3HG2 VAL 58 -12.237 -10.373 -10.937 418 HA PRO 59 HA PRO 59 -7.979 -10.238 -10.376 419 HB2 PRO 59 1HB PRO 59 -5.369 -10.454 -9.660 420 HB3 PRO 59 2HB PRO 59 -5.935 -10.705 -11.315 421 HG2 PRO 59 1HG PRO 59 -4.673 -8.282 -10.092 422 HG3 PRO 59 2HG PRO 59 -4.368 -9.025 -11.673 423 HD2 PRO 59 1HD PRO 59 -5.928 -6.833 -11.371 424 HD3 PRO 59 2HD PRO 59 -6.222 -8.048 -12.631 425 H ARG 60 H ARG 60 -8.376 -10.902 -8.333 426 HA ARG 60 HA ARG 60 -8.685 -9.120 -6.238 427 HB2 ARG 60 1HB ARG 60 -9.814 -11.266 -6.268 428 HB3 ARG 60 2HB ARG 60 -8.277 -12.112 -6.143 429 HG2 ARG 60 1HG ARG 60 -7.937 -11.278 -3.916 430 HG3 ARG 60 2HG ARG 60 -9.377 -10.265 -4.037 431 HD2 ARG 60 1HD ARG 60 -10.794 -12.204 -4.159 432 HD3 ARG 60 2HD ARG 60 -9.393 -13.272 -4.235 433 HE ARG 60 HE ARG 60 -9.298 -11.722 -1.879 434 HH11 ARG 60 2HH1 ARG 60 -11.018 -14.385 -3.317 435 HH12 ARG 60 1HH1 ARG 60 -11.407 -15.124 -1.799 436 HH21 ARG 60 2HH2 ARG 60 -9.804 -12.684 0.126 437 HH22 ARG 60 1HH2 ARG 60 -10.717 -14.155 0.159 438 H LEU 61 H LEU 61 -7.360 -8.224 -4.792 439 HA LEU 61 HA LEU 61 -4.533 -8.778 -4.933 440 HB2 LEU 61 1HB LEU 61 -5.396 -6.487 -4.737 441 HB3 LEU 61 2HB LEU 61 -6.064 -6.884 -3.155 442 HG LEU 61 HG LEU 61 -3.660 -7.377 -2.451 443 HD11 LEU 61 1HD1 LEU 61 -2.817 -7.442 -4.812 444 HD12 LEU 61 2HD1 LEU 61 -1.891 -6.419 -3.714 445 HD13 LEU 61 3HD1 LEU 61 -3.016 -5.690 -4.859 446 HD21 LEU 61 1HD2 LEU 61 -4.513 -4.575 -3.171 447 HD22 LEU 61 2HD2 LEU 61 -3.191 -4.977 -2.074 448 HD23 LEU 61 3HD2 LEU 61 -4.847 -5.430 -1.665 449 H ASN 62 H ASN 62 -4.408 -10.906 -4.122 450 HA ASN 62 HA ASN 62 -5.330 -11.486 -1.448 451 HB2 ASN 62 1HB ASN 62 -5.069 -13.088 -3.535 452 HB3 ASN 62 2HB ASN 62 -3.433 -13.275 -2.910 453 HD21 ASN 62 1HD2 ASN 62 -6.654 -13.016 -1.440 454 HD22 ASN 62 2HD2 ASN 62 -6.514 -14.443 -0.475 455 H GLU 63 H GLU 63 -3.752 -12.529 0.114 456 HA GLU 63 HA GLU 63 -1.736 -10.645 0.764 457 HB2 GLU 63 1HB GLU 63 -2.203 -13.415 1.883 458 HB3 GLU 63 2HB GLU 63 -1.183 -12.179 2.606 459 HG2 GLU 63 1HG GLU 63 -3.108 -11.968 3.829 460 HG3 GLU 63 2HG GLU 63 -3.347 -10.747 2.580 461 H GLY 64 H GLY 64 0.416 -10.638 0.410 462 HA2 GLY 64 1HA GLY 64 2.498 -11.845 0.080 463 HA3 GLY 64 2HA GLY 64 1.599 -13.018 -0.872 464 H ASP 65 H ASP 65 0.186 -10.431 -1.957 465 HA ASP 65 HA ASP 65 1.651 -10.331 -4.379 466 HB2 ASP 65 1HB ASP 65 -0.607 -8.677 -3.263 467 HB3 ASP 65 2HB ASP 65 0.117 -8.320 -4.829 468 H GLN 66 H GLN 66 3.783 -9.777 -3.751 469 HA GLN 66 HA GLN 66 4.508 -7.501 -2.298 470 HB2 GLN 66 1HB GLN 66 6.146 -9.190 -2.664 471 HB3 GLN 66 2HB GLN 66 5.969 -9.080 -4.410 472 HG2 GLN 66 1HG GLN 66 6.776 -6.639 -4.081 473 HG3 GLN 66 2HG GLN 66 7.370 -7.234 -2.532 474 HE21 GLN 66 1HE2 GLN 66 8.638 -6.330 -5.148 475 HE22 GLN 66 2HE2 GLN 66 9.788 -7.571 -5.496 476 H VAL 67 H VAL 67 4.026 -5.465 -2.758 477 HA VAL 67 HA VAL 67 3.341 -4.592 -5.393 478 HB VAL 67 HB VAL 67 3.907 -2.874 -2.975 479 HG11 VAL 67 1HG1 VAL 67 3.054 -1.116 -4.112 480 HG12 VAL 67 2HG1 VAL 67 3.601 -2.044 -5.509 481 HG13 VAL 67 3HG1 VAL 67 1.910 -2.112 -5.012 482 HG21 VAL 67 1HG2 VAL 67 1.847 -3.290 -2.137 483 HG22 VAL 67 2HG2 VAL 67 1.125 -3.519 -3.730 484 HG23 VAL 67 3HG2 VAL 67 2.055 -4.821 -2.988 485 H VAL 68 H VAL 68 4.916 -4.505 -6.880 486 HA VAL 68 HA VAL 68 7.619 -3.787 -6.242 487 HB VAL 68 HB VAL 68 6.283 -4.138 -8.929 488 HG11 VAL 68 1HG1 VAL 68 8.763 -2.971 -8.310 489 HG12 VAL 68 2HG1 VAL 68 9.114 -4.585 -8.933 490 HG13 VAL 68 3HG1 VAL 68 8.161 -3.454 -9.896 491 HG21 VAL 68 1HG2 VAL 68 8.208 -6.072 -7.721 492 HG22 VAL 68 2HG2 VAL 68 6.519 -6.097 -7.213 493 HG23 VAL 68 3HG2 VAL 68 6.934 -6.348 -8.908 494 H LEU 69 H LEU 69 4.882 -2.199 -7.814 495 HA LEU 69 HA LEU 69 6.057 0.388 -7.259 496 HB2 LEU 69 1HB LEU 69 5.347 -0.390 -10.082 497 HB3 LEU 69 2HB LEU 69 5.891 1.197 -9.543 498 HG LEU 69 HG LEU 69 7.581 -1.293 -9.367 499 HD11 LEU 69 1HD1 LEU 69 8.696 0.249 -11.317 500 HD12 LEU 69 2HD1 LEU 69 6.974 0.449 -11.638 501 HD13 LEU 69 3HD1 LEU 69 7.681 -1.166 -11.599 502 HD21 LEU 69 1HD2 LEU 69 9.340 0.103 -8.790 503 HD22 LEU 69 2HD2 LEU 69 7.984 0.804 -7.908 504 HD23 LEU 69 3HD2 LEU 69 8.535 1.544 -9.411 505 H ILE 70 H ILE 70 4.535 1.885 -6.830 506 HA ILE 70 HA ILE 70 1.738 1.069 -7.145 507 HB ILE 70 HB ILE 70 2.932 3.261 -5.443 508 HG12 ILE 70 1HG1 ILE 70 1.674 0.667 -4.547 509 HG13 ILE 70 2HG1 ILE 70 3.407 0.851 -4.794 510 HG21 ILE 70 1HG2 ILE 70 0.401 3.204 -6.407 511 HG22 ILE 70 2HG2 ILE 70 0.208 2.305 -4.903 512 HG23 ILE 70 3HG2 ILE 70 0.866 3.941 -4.874 513 HD11 ILE 70 1HD1 ILE 70 3.482 2.574 -3.088 514 HD12 ILE 70 2HD1 ILE 70 1.738 2.440 -2.860 515 HD13 ILE 70 3HD1 ILE 70 2.788 1.084 -2.450 516 H ASN 71 H ASN 71 0.539 1.934 -8.694 517 HA ASN 71 HA ASN 71 -0.216 3.316 -10.334 518 HB2 ASN 71 1HB ASN 71 1.057 5.420 -8.571 519 HB3 ASN 71 2HB ASN 71 -0.018 5.764 -9.923 520 HD21 ASN 71 1HD2 ASN 71 -0.209 6.220 -6.974 521 HD22 ASN 71 2HD2 ASN 71 -1.734 5.543 -6.526 522 H GLY 72 H GLY 72 2.501 2.145 -10.488 523 HA2 GLY 72 1HA GLY 72 4.171 2.132 -12.074 524 HA3 GLY 72 2HA GLY 72 3.333 3.449 -12.881 525 H ARG 73 H ARG 73 4.636 3.359 -9.589 526 HA ARG 73 HA ARG 73 6.697 5.290 -10.379 527 HB2 ARG 73 1HB ARG 73 4.583 5.672 -8.275 528 HB3 ARG 73 2HB ARG 73 6.128 6.505 -8.169 529 HG2 ARG 73 1HG ARG 73 5.619 7.308 -10.559 530 HG3 ARG 73 2HG ARG 73 3.962 6.811 -10.209 531 HD2 ARG 73 1HD ARG 73 3.887 8.294 -8.297 532 HD3 ARG 73 2HD ARG 73 5.578 8.731 -8.537 533 HE ARG 73 HE ARG 73 4.095 9.293 -10.872 534 HH11 ARG 73 2HH1 ARG 73 4.587 10.431 -7.619 535 HH12 ARG 73 1HH1 ARG 73 4.186 12.075 -7.994 536 HH21 ARG 73 2HH2 ARG 73 3.564 11.453 -11.378 537 HH22 ARG 73 1HH2 ARG 73 3.604 12.654 -10.133 538 H ASP 74 H ASP 74 8.412 5.530 -8.780 539 HA ASP 74 HA ASP 74 9.040 2.980 -7.562 540 HB2 ASP 74 1HB ASP 74 11.245 4.012 -7.107 541 HB3 ASP 74 2HB ASP 74 10.786 4.129 -8.804 542 H ILE 75 H ILE 75 8.140 2.572 -5.645 543 HA ILE 75 HA ILE 75 8.198 4.702 -3.607 544 HB ILE 75 HB ILE 75 6.284 3.595 -2.530 545 HG12 ILE 75 1HG1 ILE 75 5.044 1.970 -4.219 546 HG13 ILE 75 2HG1 ILE 75 6.684 1.678 -4.786 547 HG21 ILE 75 1HG2 ILE 75 6.278 5.069 -4.949 548 HG22 ILE 75 2HG2 ILE 75 4.966 3.894 -5.030 549 HG23 ILE 75 3HG2 ILE 75 5.049 5.031 -3.685 550 HD11 ILE 75 1HD1 ILE 75 6.833 1.496 -2.013 551 HD12 ILE 75 2HD1 ILE 75 5.343 0.665 -2.459 552 HD13 ILE 75 3HD1 ILE 75 6.876 0.174 -3.179 553 H ALA 76 H ALA 76 9.579 1.839 -4.521 554 HA ALA 76 HA ALA 76 9.748 0.339 -2.170 555 HB1 ALA 76 1HB ALA 76 10.450 -0.644 -4.216 556 HB2 ALA 76 2HB ALA 76 11.663 0.610 -4.477 557 HB3 ALA 76 3HB ALA 76 11.869 -0.558 -3.172 558 H GLU 77 H GLU 77 11.360 3.265 -3.125 559 HA GLU 77 HA GLU 77 13.437 3.081 -1.142 560 HB2 GLU 77 1HB GLU 77 13.994 4.323 -3.081 561 HB3 GLU 77 2HB GLU 77 12.514 5.269 -2.995 562 HG2 GLU 77 1HG GLU 77 13.324 6.381 -0.988 563 HG3 GLU 77 2HG GLU 77 14.799 5.416 -1.040 564 H HIS 78 H HIS 78 10.222 4.392 -1.339 565 HA HIS 78 HA HIS 78 10.383 6.157 0.874 566 HB2 HIS 78 1HB HIS 78 8.160 4.905 -0.685 567 HB3 HIS 78 2HB HIS 78 7.786 5.684 0.850 568 HD1 HIS 78 1HD HIS 78 6.688 6.812 -1.789 569 HD2 HIS 78 2HD HIS 78 10.216 8.083 0.000 570 HE1 HIS 78 1HE HIS 78 7.090 9.132 -2.671 571 HE2 HIS 78 2HE HIS 78 9.275 9.848 -1.641 572 H THR 79 H THR 79 9.617 5.894 2.998 573 HA THR 79 HA THR 79 10.132 3.292 4.107 574 HB THR 79 HB THR 79 10.017 4.292 6.235 575 HG1 THR 79 1HG THR 79 8.601 6.449 5.017 576 HG21 THR 79 1HG2 THR 79 10.853 6.727 4.736 577 HG22 THR 79 2HG2 THR 79 11.744 5.229 4.468 578 HG23 THR 79 3HG2 THR 79 11.635 5.912 6.090 579 H HIS 80 H HIS 80 8.630 2.310 5.713 580 HA HIS 80 HA HIS 80 6.308 1.411 4.647 581 HB2 HIS 80 1HB HIS 80 7.128 0.371 6.624 582 HB3 HIS 80 2HB HIS 80 7.008 1.867 7.547 583 HD1 HIS 80 1HD HIS 80 5.059 -1.086 6.470 584 HD2 HIS 80 2HD HIS 80 4.357 2.560 8.333 585 HE1 HIS 80 1HE HIS 80 2.757 -1.272 7.464 586 HE2 HIS 80 2HE HIS 80 2.320 0.976 8.513 587 H ASP 81 H ASP 81 6.501 4.120 6.959 588 HA ASP 81 HA ASP 81 3.795 4.824 6.860 589 HB2 ASP 81 1HB ASP 81 6.169 6.628 7.376 590 HB3 ASP 81 2HB ASP 81 4.496 6.977 7.802 591 H GLN 82 H GLN 82 6.554 6.063 4.997 592 HA GLN 82 HA GLN 82 5.229 8.027 3.546 593 HB2 GLN 82 1HB GLN 82 7.635 6.328 2.976 594 HB3 GLN 82 2HB GLN 82 7.025 7.436 1.754 595 HG2 GLN 82 1HG GLN 82 7.696 8.324 4.541 596 HG3 GLN 82 2HG GLN 82 8.888 8.278 3.243 597 HE21 GLN 82 1HE2 GLN 82 8.758 9.749 1.572 598 HE22 GLN 82 2HE2 GLN 82 7.740 11.144 1.635 599 H VAL 83 H VAL 83 5.511 4.563 2.935 600 HA VAL 83 HA VAL 83 4.310 4.577 0.374 601 HB VAL 83 HB VAL 83 4.688 2.422 2.438 602 HG11 VAL 83 1HG1 VAL 83 3.386 2.135 -0.268 603 HG12 VAL 83 2HG1 VAL 83 3.871 0.802 0.782 604 HG13 VAL 83 3HG1 VAL 83 2.604 1.916 1.297 605 HG21 VAL 83 1HG2 VAL 83 6.103 1.512 0.510 606 HG22 VAL 83 2HG2 VAL 83 5.937 3.115 -0.205 607 HG23 VAL 83 3HG2 VAL 83 6.712 2.927 1.368 608 H VAL 84 H VAL 84 2.910 3.252 3.375 609 HA VAL 84 HA VAL 84 0.346 2.887 2.691 610 HB VAL 84 HB VAL 84 1.413 4.083 5.238 611 HG11 VAL 84 1HG1 VAL 84 -1.404 3.630 4.405 612 HG12 VAL 84 2HG1 VAL 84 -0.951 3.238 6.065 613 HG13 VAL 84 3HG1 VAL 84 -0.720 4.875 5.449 614 HG21 VAL 84 1HG2 VAL 84 1.221 1.919 6.124 615 HG22 VAL 84 2HG2 VAL 84 0.175 1.379 4.811 616 HG23 VAL 84 3HG2 VAL 84 1.886 1.682 4.508 617 H LEU 85 H LEU 85 1.637 6.039 3.736 618 HA LEU 85 HA LEU 85 -0.758 7.472 3.340 619 HB2 LEU 85 1HB LEU 85 2.108 8.174 3.693 620 HB3 LEU 85 2HB LEU 85 1.020 9.418 3.082 621 HG LEU 85 HG LEU 85 -0.407 8.966 5.138 622 HD11 LEU 85 1HD1 LEU 85 0.660 7.931 7.032 623 HD12 LEU 85 2HD1 LEU 85 2.125 7.640 6.094 624 HD13 LEU 85 3HD1 LEU 85 0.634 6.792 5.685 625 HD21 LEU 85 1HD2 LEU 85 0.891 10.972 4.965 626 HD22 LEU 85 2HD2 LEU 85 2.369 10.112 5.395 627 HD23 LEU 85 3HD2 LEU 85 1.090 10.323 6.593 628 H PHE 86 H PHE 86 1.970 6.762 1.229 629 HA PHE 86 HA PHE 86 1.515 8.482 -0.866 630 HB2 PHE 86 1HB PHE 86 3.420 6.888 -0.698 631 HB3 PHE 86 2HB PHE 86 2.324 5.579 -1.129 632 HD1 PHE 86 1HD PHE 86 3.221 8.968 -2.418 633 HD2 PHE 86 2HD PHE 86 2.406 4.886 -3.305 634 HE1 PHE 86 1HE PHE 86 3.647 9.405 -4.802 635 HE2 PHE 86 2HE PHE 86 2.831 5.315 -5.690 636 HZ PHE 86 HZ PHE 86 3.453 7.577 -6.441 637 H ILE 87 H ILE 87 -0.085 5.404 -0.185 638 HA ILE 87 HA ILE 87 -1.595 5.246 -2.553 639 HB ILE 87 HB ILE 87 -2.323 4.166 0.173 640 HG12 ILE 87 1HG1 ILE 87 -0.995 2.639 -2.056 641 HG13 ILE 87 2HG1 ILE 87 -0.048 3.527 -0.867 642 HG21 ILE 87 1HG2 ILE 87 -3.943 4.305 -1.981 643 HG22 ILE 87 2HG2 ILE 87 -3.148 2.760 -2.277 644 HG23 ILE 87 3HG2 ILE 87 -4.023 3.027 -0.770 645 HD11 ILE 87 1HD1 ILE 87 -0.451 1.039 -0.475 646 HD12 ILE 87 2HD1 ILE 87 -0.723 2.140 0.876 647 HD13 ILE 87 3HD1 ILE 87 -2.093 1.507 -0.036 648 H LYS 88 H LYS 88 -2.649 6.274 0.700 649 HA LYS 88 HA LYS 88 -5.188 7.137 0.055 650 HB2 LYS 88 1HB LYS 88 -3.227 7.845 2.179 651 HB3 LYS 88 2HB LYS 88 -4.620 8.899 1.978 652 HG2 LYS 88 1HG LYS 88 -5.392 7.421 3.548 653 HG3 LYS 88 2HG LYS 88 -5.966 6.667 2.058 654 HD2 LYS 88 1HD LYS 88 -5.020 4.862 3.123 655 HD3 LYS 88 2HD LYS 88 -3.656 5.431 2.159 656 HE2 LYS 88 1HE LYS 88 -3.015 4.911 4.477 657 HE3 LYS 88 2HE LYS 88 -2.752 6.607 4.073 658 HZ1 LYS 88 1HZ LYS 88 -5.324 5.927 5.259 659 HZ2 LYS 88 2HZ LYS 88 -4.348 7.288 5.496 660 HZ3 LYS 88 3HZ LYS 88 -3.977 5.835 6.279 661 H ALA 89 H ALA 89 -2.141 8.929 -0.140 662 HA ALA 89 HA ALA 89 -2.988 11.462 -0.698 663 HB1 ALA 89 1HB ALA 89 -0.661 11.032 -0.523 664 HB2 ALA 89 2HB ALA 89 -0.694 9.929 -1.899 665 HB3 ALA 89 3HB ALA 89 -0.943 11.656 -2.149 666 H SER 90 H SER 90 -2.497 8.892 -3.122 667 HA SER 90 HA SER 90 -3.202 10.177 -5.412 668 HB2 SER 90 1HB SER 90 -2.525 7.758 -5.186 669 HB3 SER 90 2HB SER 90 -4.190 7.401 -4.730 670 HG SER 90 HG SER 90 -3.180 7.642 -7.166 671 H CYS 91 H CYS 91 -5.480 8.602 -3.173 672 HA CYS 91 HA CYS 91 -7.861 9.007 -4.402 673 HB2 CYS 91 1HB CYS 91 -7.255 8.111 -1.997 674 HB3 CYS 91 2HB CYS 91 -7.690 9.745 -1.509 675 HG CYS 91 HG CYS 91 -9.806 7.818 -1.148 676 H GLU 92 H GLU 92 -6.284 11.403 -2.282 677 HA GLU 92 HA GLU 92 -7.964 13.476 -2.268 678 HB2 GLU 92 1HB GLU 92 -5.501 13.364 -1.503 679 HB3 GLU 92 2HB GLU 92 -5.120 13.983 -3.104 680 HG2 GLU 92 1HG GLU 92 -6.595 15.922 -2.651 681 HG3 GLU 92 2HG GLU 92 -6.816 15.319 -1.009 682 H ARG 93 H ARG 93 -5.680 12.990 -4.968 683 HA ARG 93 HA ARG 93 -7.231 14.825 -6.612 684 HB2 ARG 93 1HB ARG 93 -5.412 14.729 -8.172 685 HB3 ARG 93 2HB ARG 93 -4.731 14.901 -6.560 686 HG2 ARG 93 1HG ARG 93 -4.225 12.520 -6.505 687 HG3 ARG 93 2HG ARG 93 -4.935 12.328 -8.109 688 HD2 ARG 93 1HD ARG 93 -2.771 14.338 -7.727 689 HD3 ARG 93 2HD ARG 93 -2.338 12.630 -7.787 690 HE ARG 93 HE ARG 93 -3.951 13.032 -9.964 691 HH11 ARG 93 2HH1 ARG 93 -0.977 14.399 -8.780 692 HH12 ARG 93 1HH1 ARG 93 -0.365 14.767 -10.359 693 HH21 ARG 93 2HH2 ARG 93 -3.157 13.510 -12.048 694 HH22 ARG 93 1HH2 ARG 93 -1.606 14.261 -12.217 695 H HIS 94 H HIS 94 -8.034 14.255 -8.694 696 HA HIS 94 HA HIS 94 -8.733 11.403 -8.912 697 HB2 HIS 94 1HB HIS 94 -10.206 13.795 -10.036 698 HB3 HIS 94 2HB HIS 94 -10.723 12.115 -10.144 699 HD1 HIS 94 1HD HIS 94 -11.539 10.991 -7.908 700 HD2 HIS 94 2HD HIS 94 -10.827 15.078 -7.671 701 HE1 HIS 94 1HE HIS 94 -12.640 11.743 -5.775 702 HE2 HIS 94 2HE HIS 94 -12.270 14.233 -5.697 703 H SER 95 H SER 95 -6.905 10.791 -10.092 704 HA SER 95 HA SER 95 -6.375 12.116 -12.629 705 HB2 SER 95 1HB SER 95 -4.470 11.461 -11.215 706 HB3 SER 95 2HB SER 95 -4.976 9.774 -11.312 707 HG SER 95 HG SER 95 -3.452 10.031 -12.872 708 H GLY 96 H GLY 96 -7.054 8.794 -11.516 709 HA2 GLY 96 1HA GLY 96 -8.844 8.323 -13.706 710 HA3 GLY 96 2HA GLY 96 -7.301 7.511 -13.924 711 H GLU 97 H GLU 97 -6.770 5.756 -12.641 712 HA GLU 97 HA GLU 97 -8.795 4.863 -10.712 713 HB2 GLU 97 1HB GLU 97 -7.617 3.203 -12.946 714 HB3 GLU 97 2HB GLU 97 -8.547 2.541 -11.609 715 HG2 GLU 97 1HG GLU 97 -10.064 2.724 -13.373 716 HG3 GLU 97 2HG GLU 97 -10.414 4.099 -12.327 717 H LEU 98 H LEU 98 -7.975 2.997 -9.378 718 HA LEU 98 HA LEU 98 -5.298 3.639 -8.466 719 HB2 LEU 98 1HB LEU 98 -7.416 3.198 -7.031 720 HB3 LEU 98 2HB LEU 98 -7.027 1.499 -7.290 721 HG LEU 98 HG LEU 98 -6.174 2.193 -5.154 722 HD11 LEU 98 1HD1 LEU 98 -3.774 2.094 -6.949 723 HD12 LEU 98 2HD1 LEU 98 -4.819 0.693 -6.720 724 HD13 LEU 98 3HD1 LEU 98 -3.984 1.404 -5.339 725 HD21 LEU 98 1HD2 LEU 98 -4.122 4.027 -5.974 726 HD22 LEU 98 2HD2 LEU 98 -5.383 4.229 -4.756 727 HD23 LEU 98 3HD2 LEU 98 -5.709 4.639 -6.441 728 H MET 99 H MET 99 -3.679 2.721 -9.561 729 HA MET 99 HA MET 99 -3.925 -0.121 -10.292 730 HB2 MET 99 1HB MET 99 -2.335 2.128 -11.513 731 HB3 MET 99 2HB MET 99 -1.985 0.440 -11.865 732 HG2 MET 99 1HG MET 99 -4.188 0.128 -12.785 733 HG3 MET 99 2HG MET 99 -4.645 1.767 -12.325 734 HE1 MET 99 1HE MET 99 -3.960 -0.322 -15.139 735 HE2 MET 99 2HE MET 99 -5.195 0.929 -15.279 736 HE3 MET 99 3HE MET 99 -3.818 0.921 -16.382 737 H LEU 100 H LEU 100 -2.352 -1.565 -9.694 738 HA LEU 100 HA LEU 100 -0.041 -0.578 -8.198 739 HB2 LEU 100 1HB LEU 100 -1.830 -2.756 -7.140 740 HB3 LEU 100 2HB LEU 100 -0.416 -2.059 -6.351 741 HG LEU 100 HG LEU 100 -2.779 -0.335 -6.978 742 HD11 LEU 100 1HD1 LEU 100 -4.110 -1.273 -5.469 743 HD12 LEU 100 2HD1 LEU 100 -2.814 -1.339 -4.275 744 HD13 LEU 100 3HD1 LEU 100 -3.004 -2.647 -5.443 745 HD21 LEU 100 1HD2 LEU 100 -1.978 0.822 -4.940 746 HD22 LEU 100 2HD2 LEU 100 -0.777 0.774 -6.232 747 HD23 LEU 100 3HD2 LEU 100 -0.638 -0.322 -4.856 748 H LEU 101 H LEU 101 1.685 -1.454 -9.110 749 HA LEU 101 HA LEU 101 1.492 -3.853 -10.696 750 HB2 LEU 101 1HB LEU 101 2.927 -1.796 -11.180 751 HB3 LEU 101 2HB LEU 101 4.022 -2.417 -9.947 752 HG LEU 101 HG LEU 101 4.426 -4.411 -11.268 753 HD11 LEU 101 1HD1 LEU 101 2.673 -5.043 -12.527 754 HD12 LEU 101 2HD1 LEU 101 3.450 -4.047 -13.757 755 HD13 LEU 101 3HD1 LEU 101 2.129 -3.387 -12.794 756 HD21 LEU 101 1HD2 LEU 101 4.684 -1.926 -12.959 757 HD22 LEU 101 2HD2 LEU 101 5.633 -3.405 -13.108 758 HD23 LEU 101 3HD2 LEU 101 5.790 -2.398 -11.669 759 H VAL 102 H VAL 102 1.183 -5.647 -9.479 760 HA VAL 102 HA VAL 102 3.075 -6.155 -7.281 761 HB VAL 102 HB VAL 102 1.508 -7.630 -6.301 762 HG11 VAL 102 1HG1 VAL 102 0.340 -5.924 -5.498 763 HG12 VAL 102 2HG1 VAL 102 0.826 -4.948 -6.885 764 HG13 VAL 102 3HG1 VAL 102 -0.658 -5.899 -6.951 765 HG21 VAL 102 1HG2 VAL 102 -0.062 -7.413 -8.866 766 HG22 VAL 102 2HG2 VAL 102 0.779 -8.837 -8.254 767 HG23 VAL 102 3HG2 VAL 102 -0.637 -8.217 -7.405 768 H ARG 103 H ARG 103 3.464 -8.600 -6.966 769 HA ARG 103 HA ARG 103 4.298 -9.677 -9.565 770 HB2 ARG 103 1HB ARG 103 5.901 -9.268 -7.548 771 HB3 ARG 103 2HB ARG 103 5.212 -10.760 -6.922 772 HG2 ARG 103 1HG ARG 103 6.022 -12.012 -8.761 773 HG3 ARG 103 2HG ARG 103 6.454 -10.550 -9.649 774 HD2 ARG 103 1HD ARG 103 8.306 -10.138 -8.328 775 HD3 ARG 103 2HD ARG 103 7.677 -11.079 -6.976 776 HE ARG 103 HE ARG 103 9.228 -12.049 -9.187 777 HH11 ARG 103 2HH1 ARG 103 6.898 -12.900 -6.745 778 HH12 ARG 103 1HH1 ARG 103 7.326 -14.579 -6.736 779 HH21 ARG 103 2HH2 ARG 103 9.800 -14.257 -9.185 780 HH22 ARG 103 1HH2 ARG 103 8.977 -15.350 -8.124 781 HA PRO 104 HA PRO 104 1.241 -12.846 -9.341 782 HB2 PRO 104 1HB PRO 104 2.359 -14.599 -11.086 783 HB3 PRO 104 2HB PRO 104 1.570 -13.103 -11.600 784 HG2 PRO 104 1HG PRO 104 4.486 -13.681 -11.243 785 HG3 PRO 104 2HG PRO 104 3.671 -12.799 -12.549 786 HD2 PRO 104 1HD PRO 104 4.945 -11.543 -10.517 787 HD3 PRO 104 2HD PRO 104 3.511 -10.862 -11.311 788 H ASN 105 H ASN 105 0.879 -14.573 -8.067 789 HA ASN 105 HA ASN 105 3.223 -16.023 -7.025 790 HB2 ASN 105 1HB ASN 105 1.972 -14.546 -5.385 791 HB3 ASN 105 2HB ASN 105 0.606 -15.643 -5.566 792 HD21 ASN 105 1HD2 ASN 105 4.058 -15.613 -4.788 793 HD22 ASN 105 2HD2 ASN 105 3.984 -16.889 -3.626 794 H ALA 106 H ALA 106 2.858 -17.402 -8.948 795 HA ALA 106 HA ALA 106 0.598 -18.896 -9.474 796 HB1 ALA 106 1HB ALA 106 1.954 -19.569 -11.095 797 HB2 ALA 106 2HB ALA 106 3.362 -18.972 -10.216 798 HB3 ALA 106 3HB ALA 106 2.776 -20.611 -9.934 799 H VAL 107 H VAL 107 -0.498 -20.369 -8.365 800 HA VAL 107 HA VAL 107 0.739 -22.424 -6.837 801 HB VAL 107 HB VAL 107 0.977 -20.540 -5.239 802 HG11 VAL 107 1HG1 VAL 107 -1.127 -19.385 -5.995 803 HG12 VAL 107 2HG1 VAL 107 -2.028 -20.575 -5.053 804 HG13 VAL 107 3HG1 VAL 107 -0.903 -19.480 -4.249 805 HG21 VAL 107 1HG2 VAL 107 -1.018 -22.185 -3.865 806 HG22 VAL 107 2HG2 VAL 107 0.196 -23.108 -4.751 807 HG23 VAL 107 3HG2 VAL 107 0.696 -21.951 -3.517 808 H TYR 108 H TYR 108 -0.641 -24.105 -6.484 809 HA TYR 108 HA TYR 108 -3.515 -23.685 -6.734 810 HB2 TYR 108 1HB TYR 108 -3.199 -24.134 -8.984 811 HB3 TYR 108 2HB TYR 108 -1.829 -25.199 -8.688 812 HD1 TYR 108 1HD TYR 108 -2.181 -27.534 -8.051 813 HD2 TYR 108 2HD TYR 108 -5.465 -24.966 -8.901 814 HE1 TYR 108 1HE TYR 108 -3.655 -29.493 -8.246 815 HE2 TYR 108 2HE TYR 108 -6.948 -26.917 -9.097 816 HH TYR 108 HH TYR 108 -5.702 -30.220 -8.691 817 H ASP 109 H ASP 109 -4.777 -25.415 -5.927 818 HA ASP 109 HA ASP 109 -3.512 -27.751 -4.820 819 HB2 ASP 109 1HB ASP 109 -4.380 -27.214 -2.478 820 HB3 ASP 109 2HB ASP 109 -2.936 -26.353 -3.003 821 H VAL 110 H VAL 110 -5.183 -29.040 -3.501 822 HA VAL 110 HA VAL 110 -7.425 -29.509 -5.131 823 HB VAL 110 HB VAL 110 -6.963 -30.384 -2.276 824 HG11 VAL 110 1HG1 VAL 110 -8.538 -32.169 -3.898 825 HG12 VAL 110 2HG1 VAL 110 -8.916 -31.446 -2.334 826 HG13 VAL 110 3HG1 VAL 110 -9.280 -30.571 -3.822 827 HG21 VAL 110 1HG2 VAL 110 -6.300 -31.688 -4.911 828 HG22 VAL 110 2HG2 VAL 110 -5.168 -31.150 -3.670 829 HG23 VAL 110 3HG2 VAL 110 -6.240 -32.514 -3.354 830 H VAL 111 H VAL 111 -9.393 -28.637 -5.183 831 HA VAL 111 HA VAL 111 -10.077 -26.619 -3.181 832 HB VAL 111 HB VAL 111 -11.394 -27.263 -5.823 833 HG11 VAL 111 1HG1 VAL 111 -13.135 -26.258 -4.774 834 HG12 VAL 111 2HG1 VAL 111 -12.099 -25.434 -3.607 835 HG13 VAL 111 3HG1 VAL 111 -12.260 -24.801 -5.245 836 HG21 VAL 111 1HG2 VAL 111 -9.139 -25.573 -5.060 837 HG22 VAL 111 2HG2 VAL 111 -9.621 -26.171 -6.648 838 HG23 VAL 111 3HG2 VAL 111 -10.378 -24.723 -5.984 839 H GLU 112 H GLU 112 -10.750 -27.874 -1.443 840 HA GLU 112 HA GLU 112 -13.442 -28.923 -1.684 841 HB2 GLU 112 1HB GLU 112 -12.888 -31.072 -0.621 842 HB3 GLU 112 2HB GLU 112 -12.110 -30.897 -2.187 843 HG2 GLU 112 1HG GLU 112 -10.492 -31.836 -0.779 844 HG3 GLU 112 2HG GLU 112 -10.052 -30.136 -0.934 845 H GLU 113 H GLU 113 -14.322 -29.543 0.495 846 HA GLU 113 HA GLU 113 -12.987 -28.605 2.840 847 HB2 GLU 113 1HB GLU 113 -13.734 -26.475 1.692 848 HB3 GLU 113 2HB GLU 113 -15.388 -27.002 1.966 849 HG2 GLU 113 1HG GLU 113 -14.654 -25.410 3.656 850 HG3 GLU 113 2HG GLU 113 -15.030 -26.982 4.361 851 H SER 114 H SER 114 -13.552 -30.239 4.121 852 HA SER 114 HA SER 114 -15.958 -31.704 3.890 853 HB2 SER 114 1HB SER 114 -13.822 -32.565 4.890 854 HB3 SER 114 2HB SER 114 -14.141 -31.563 6.306 855 HG SER 114 HG SER 114 -16.132 -33.318 5.407 856 H GLY 115 H GLY 115 -17.483 -32.007 5.783 857 HA2 GLY 115 1HA GLY 115 -17.984 -29.493 7.221 858 HA3 GLY 115 2HA GLY 115 -19.264 -30.174 6.227 859 HA PRO 116 HA PRO 116 -18.468 -33.082 10.053 860 HB2 PRO 116 1HB PRO 116 -17.404 -31.804 12.199 861 HB3 PRO 116 2HB PRO 116 -16.418 -32.634 10.989 862 HG2 PRO 116 1HG PRO 116 -17.031 -29.716 11.255 863 HG3 PRO 116 2HG PRO 116 -15.488 -30.506 10.879 864 HD2 PRO 116 1HD PRO 116 -17.056 -29.389 8.974 865 HD3 PRO 116 2HD PRO 116 -16.042 -30.812 8.662 866 H SER 117 H SER 117 -19.163 -29.647 10.563 867 HA SER 117 HA SER 117 -20.806 -28.566 11.721 868 HB2 SER 117 1HB SER 117 -22.128 -29.543 9.884 869 HB3 SER 117 2HB SER 117 -22.404 -30.989 10.855 870 HG SER 117 HG SER 117 -23.120 -28.426 11.794 871 H SER 118 H SER 118 -19.201 -29.686 13.501 872 HA SER 118 HA SER 118 -19.024 -30.422 15.646 873 HB2 SER 118 1HB SER 118 -21.972 -29.743 15.621 874 HB3 SER 118 2HB SER 118 -21.076 -30.171 17.079 875 HG SER 118 HG SER 118 -21.316 -27.832 16.444 876 H GLY 119 H GLY 119 -19.043 -32.458 13.895 877 HA2 GLY 119 1HA GLY 119 -19.248 -34.766 15.073 878 HA3 GLY 119 2HA GLY 119 -20.966 -34.439 14.901 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -16.778 -26.663 -41.778 2 HA2 GLY 1 1HA GLY 1 -14.408 -27.273 -43.349 3 HA3 GLY 1 2HA GLY 1 -14.542 -25.609 -42.798 4 H SER 2 H SER 2 -12.415 -26.434 -41.823 5 HA SER 2 HA SER 2 -12.894 -26.889 -39.023 6 HB2 SER 2 1HB SER 2 -11.628 -29.011 -40.743 7 HB3 SER 2 2HB SER 2 -11.235 -28.872 -39.029 8 HG SER 2 HG SER 2 -13.454 -29.135 -38.574 9 H SER 3 H SER 3 -11.728 -25.218 -38.312 10 HA SER 3 HA SER 3 -8.887 -25.119 -39.051 11 HB2 SER 3 1HB SER 3 -8.904 -22.797 -39.437 12 HB3 SER 3 2HB SER 3 -10.355 -23.372 -40.257 13 HG SER 3 HG SER 3 -11.287 -22.870 -37.985 14 H GLY 4 H GLY 4 -7.653 -23.642 -37.510 15 HA2 GLY 4 1HA GLY 4 -8.789 -23.249 -34.893 16 HA3 GLY 4 2HA GLY 4 -7.664 -24.596 -34.961 17 H SER 5 H SER 5 -8.022 -21.134 -35.170 18 HA SER 5 HA SER 5 -5.614 -20.208 -35.976 19 HB2 SER 5 1HB SER 5 -5.888 -18.347 -34.335 20 HB3 SER 5 2HB SER 5 -7.362 -18.697 -35.239 21 HG SER 5 HG SER 5 -8.226 -19.665 -33.466 22 H SER 6 H SER 6 -3.596 -20.737 -35.506 23 HA SER 6 HA SER 6 -2.894 -21.327 -32.714 24 HB2 SER 6 1HB SER 6 -1.396 -23.137 -33.484 25 HB3 SER 6 2HB SER 6 -3.082 -23.473 -33.875 26 HG SER 6 HG SER 6 -2.183 -23.827 -35.774 27 H GLY 7 H GLY 7 -0.387 -21.411 -32.521 28 HA2 GLY 7 1HA GLY 7 1.362 -20.166 -34.234 29 HA3 GLY 7 2HA GLY 7 0.574 -18.852 -33.373 30 H ASN 8 H ASN 8 2.784 -18.406 -32.633 31 HA ASN 8 HA ASN 8 3.609 -20.184 -30.436 32 HB2 ASN 8 1HB ASN 8 5.210 -18.250 -32.117 33 HB3 ASN 8 2HB ASN 8 5.841 -19.023 -30.666 34 HD21 ASN 8 1HD2 ASN 8 6.208 -19.169 -33.763 35 HD22 ASN 8 2HD2 ASN 8 6.347 -20.869 -34.037 36 H GLY 9 H GLY 9 3.819 -16.720 -31.290 37 HA2 GLY 9 1HA GLY 9 4.107 -15.799 -28.656 38 HA3 GLY 9 2HA GLY 9 3.549 -14.833 -30.014 39 H GLY 10 H GLY 10 1.181 -15.595 -30.696 40 HA2 GLY 10 1HA GLY 10 -1.041 -15.810 -30.110 41 HA3 GLY 10 2HA GLY 10 -0.524 -16.369 -28.527 42 H ILE 11 H ILE 11 -2.514 -14.999 -28.042 43 HA ILE 11 HA ILE 11 -2.665 -12.269 -28.253 44 HB ILE 11 HB ILE 11 -3.879 -12.336 -26.020 45 HG12 ILE 11 1HG1 ILE 11 -3.640 -15.324 -26.312 46 HG13 ILE 11 2HG1 ILE 11 -2.531 -14.406 -25.299 47 HG21 ILE 11 1HG2 ILE 11 -4.656 -13.049 -28.541 48 HG22 ILE 11 2HG2 ILE 11 -5.168 -14.440 -27.586 49 HG23 ILE 11 3HG2 ILE 11 -5.739 -12.825 -27.167 50 HD11 ILE 11 1HD1 ILE 11 -5.479 -14.804 -24.963 51 HD12 ILE 11 2HD1 ILE 11 -4.172 -15.184 -23.841 52 HD13 ILE 11 3HD1 ILE 11 -4.614 -13.504 -24.143 53 HA PRO 12 HA PRO 12 0.695 -10.615 -25.934 54 HB2 PRO 12 1HB PRO 12 -0.311 -8.140 -25.448 55 HB3 PRO 12 2HB PRO 12 0.282 -8.641 -27.036 56 HG2 PRO 12 1HG PRO 12 -2.530 -8.510 -26.020 57 HG3 PRO 12 2HG PRO 12 -1.885 -8.009 -27.594 58 HD2 PRO 12 1HD PRO 12 -3.184 -10.357 -27.232 59 HD3 PRO 12 2HD PRO 12 -1.876 -10.163 -28.416 60 H HIS 13 H HIS 13 1.295 -10.702 -23.854 61 HA HIS 13 HA HIS 13 -0.583 -10.032 -21.738 62 HB2 HIS 13 1HB HIS 13 -0.095 -12.182 -20.536 63 HB3 HIS 13 2HB HIS 13 -1.075 -12.367 -21.987 64 HD1 HIS 13 1HD HIS 13 -0.383 -14.788 -22.404 65 HD2 HIS 13 2HD HIS 13 2.825 -12.154 -22.243 66 HE1 HIS 13 1HE HIS 13 1.599 -16.092 -23.237 67 HE2 HIS 13 2HE HIS 13 3.545 -14.503 -23.050 68 H ASP 14 H ASP 14 0.540 -10.239 -19.543 69 HA ASP 14 HA ASP 14 3.402 -9.596 -19.809 70 HB2 ASP 14 1HB ASP 14 1.457 -8.224 -17.942 71 HB3 ASP 14 2HB ASP 14 3.169 -7.852 -18.133 72 H ASN 15 H ASN 15 4.693 -10.769 -18.552 73 HA ASN 15 HA ASN 15 3.918 -12.925 -17.056 74 HB2 ASN 15 1HB ASN 15 6.284 -12.153 -17.805 75 HB3 ASN 15 2HB ASN 15 6.337 -11.338 -16.244 76 HD21 ASN 15 1HD2 ASN 15 5.611 -12.810 -14.384 77 HD22 ASN 15 2HD2 ASN 15 6.298 -14.395 -14.379 78 H LEU 16 H LEU 16 4.377 -9.600 -15.957 79 HA LEU 16 HA LEU 16 3.795 -10.249 -13.210 80 HB2 LEU 16 1HB LEU 16 4.464 -7.802 -14.747 81 HB3 LEU 16 2HB LEU 16 3.588 -7.594 -13.232 82 HG LEU 16 HG LEU 16 6.081 -7.356 -13.081 83 HD11 LEU 16 1HD1 LEU 16 6.241 -8.903 -11.066 84 HD12 LEU 16 2HD1 LEU 16 4.589 -9.386 -11.448 85 HD13 LEU 16 3HD1 LEU 16 4.948 -7.704 -11.058 86 HD21 LEU 16 1HD2 LEU 16 7.465 -8.945 -13.791 87 HD22 LEU 16 2HD2 LEU 16 6.070 -9.719 -14.543 88 HD23 LEU 16 3HD2 LEU 16 6.579 -10.199 -12.924 89 H VAL 17 H VAL 17 1.985 -9.429 -12.020 90 HA VAL 17 HA VAL 17 -0.462 -9.403 -13.625 91 HB VAL 17 HB VAL 17 -0.608 -11.010 -11.908 92 HG11 VAL 17 1HG1 VAL 17 1.148 -10.560 -10.454 93 HG12 VAL 17 2HG1 VAL 17 0.623 -8.898 -10.176 94 HG13 VAL 17 3HG1 VAL 17 -0.277 -10.239 -9.467 95 HG21 VAL 17 1HG2 VAL 17 -1.994 -8.818 -10.462 96 HG22 VAL 17 2HG2 VAL 17 -2.461 -9.126 -12.134 97 HG23 VAL 17 3HG2 VAL 17 -2.582 -10.412 -10.933 98 H LEU 18 H LEU 18 -2.013 -7.792 -13.467 99 HA LEU 18 HA LEU 18 -1.081 -5.285 -12.235 100 HB2 LEU 18 1HB LEU 18 -1.182 -4.850 -14.506 101 HB3 LEU 18 2HB LEU 18 -2.601 -5.869 -14.739 102 HG LEU 18 HG LEU 18 -3.822 -4.048 -13.344 103 HD11 LEU 18 1HD1 LEU 18 -1.811 -2.844 -12.660 104 HD12 LEU 18 2HD1 LEU 18 -2.884 -1.815 -13.607 105 HD13 LEU 18 3HD1 LEU 18 -1.438 -2.499 -14.349 106 HD21 LEU 18 1HD2 LEU 18 -4.425 -2.905 -15.347 107 HD22 LEU 18 2HD2 LEU 18 -4.124 -4.591 -15.769 108 HD23 LEU 18 3HD2 LEU 18 -2.913 -3.361 -16.133 109 H ILE 19 H ILE 19 -2.368 -4.228 -10.824 110 HA ILE 19 HA ILE 19 -4.931 -5.508 -10.157 111 HB ILE 19 HB ILE 19 -3.335 -3.628 -8.418 112 HG12 ILE 19 1HG1 ILE 19 -2.105 -5.744 -8.965 113 HG13 ILE 19 2HG1 ILE 19 -2.469 -5.546 -7.254 114 HG21 ILE 19 1HG2 ILE 19 -5.796 -5.279 -8.044 115 HG22 ILE 19 2HG2 ILE 19 -4.760 -4.916 -6.664 116 HG23 ILE 19 3HG2 ILE 19 -5.489 -3.603 -7.588 117 HD11 ILE 19 1HD1 ILE 19 -3.144 -7.675 -7.429 118 HD12 ILE 19 2HD1 ILE 19 -4.625 -6.948 -8.054 119 HD13 ILE 19 3HD1 ILE 19 -3.405 -7.561 -9.170 120 H ARG 20 H ARG 20 -6.786 -4.432 -10.402 121 HA ARG 20 HA ARG 20 -6.654 -1.530 -10.895 122 HB2 ARG 20 1HB ARG 20 -8.256 -3.656 -12.299 123 HB3 ARG 20 2HB ARG 20 -8.741 -1.966 -12.337 124 HG2 ARG 20 1HG ARG 20 -6.008 -2.872 -13.186 125 HG3 ARG 20 2HG ARG 20 -7.380 -2.811 -14.295 126 HD2 ARG 20 1HD ARG 20 -6.569 -0.434 -12.650 127 HD3 ARG 20 2HD ARG 20 -5.814 -0.783 -14.205 128 HE ARG 20 HE ARG 20 -7.811 -0.250 -15.277 129 HH11 ARG 20 2HH1 ARG 20 -8.158 -0.120 -11.815 130 HH12 ARG 20 1HH1 ARG 20 -9.665 0.733 -11.868 131 HH21 ARG 20 2HH2 ARG 20 -9.795 0.872 -15.359 132 HH22 ARG 20 1HH2 ARG 20 -10.596 1.296 -13.884 133 H MET 21 H MET 21 -7.889 -0.303 -9.624 134 HA MET 21 HA MET 21 -10.437 -1.044 -8.657 135 HB2 MET 21 1HB MET 21 -10.046 -1.472 -6.371 136 HB3 MET 21 2HB MET 21 -8.882 -2.472 -7.229 137 HG2 MET 21 1HG MET 21 -7.119 -0.897 -6.764 138 HG3 MET 21 2HG MET 21 -8.267 0.210 -6.014 139 HE1 MET 21 1HE MET 21 -6.303 -3.486 -4.923 140 HE2 MET 21 2HE MET 21 -5.757 -2.055 -5.798 141 HE3 MET 21 3HE MET 21 -5.516 -2.168 -4.054 142 H LYS 22 H LYS 22 -11.497 0.660 -7.611 143 HA LYS 22 HA LYS 22 -10.053 3.219 -7.733 144 HB2 LYS 22 1HB LYS 22 -12.234 4.278 -7.991 145 HB3 LYS 22 2HB LYS 22 -12.005 3.037 -9.216 146 HG2 LYS 22 1HG LYS 22 -13.305 1.496 -7.658 147 HG3 LYS 22 2HG LYS 22 -13.758 2.961 -6.784 148 HD2 LYS 22 1HD LYS 22 -14.496 3.849 -9.087 149 HD3 LYS 22 2HD LYS 22 -14.426 2.160 -9.598 150 HE2 LYS 22 1HE LYS 22 -15.999 3.114 -7.213 151 HE3 LYS 22 2HE LYS 22 -16.683 2.971 -8.832 152 HZ1 LYS 22 1HZ LYS 22 -16.415 0.664 -8.812 153 HZ2 LYS 22 2HZ LYS 22 -17.003 1.023 -7.268 154 HZ3 LYS 22 3HZ LYS 22 -15.359 0.691 -7.491 155 HA PRO 23 HA PRO 23 -10.308 3.640 -3.359 156 HB2 PRO 23 1HB PRO 23 -10.147 6.344 -3.173 157 HB3 PRO 23 2HB PRO 23 -8.762 5.325 -3.580 158 HG2 PRO 23 1HG PRO 23 -10.549 6.905 -5.390 159 HG3 PRO 23 2HG PRO 23 -8.784 6.738 -5.428 160 HD2 PRO 23 1HD PRO 23 -10.414 5.348 -7.083 161 HD3 PRO 23 2HD PRO 23 -8.874 4.694 -6.490 162 H ASP 24 H ASP 24 -11.651 4.481 -1.666 163 HA ASP 24 HA ASP 24 -14.413 4.582 -2.373 164 HB2 ASP 24 1HB ASP 24 -12.881 4.778 0.199 165 HB3 ASP 24 2HB ASP 24 -14.599 5.166 0.166 166 H GLU 25 H GLU 25 -15.686 6.376 -0.915 167 HA GLU 25 HA GLU 25 -15.449 8.765 -2.355 168 HB2 GLU 25 1HB GLU 25 -16.890 8.027 0.176 169 HB3 GLU 25 2HB GLU 25 -16.917 9.677 -0.429 170 HG2 GLU 25 1HG GLU 25 -18.026 9.035 -2.412 171 HG3 GLU 25 2HG GLU 25 -17.740 7.324 -2.101 172 H ASN 26 H ASN 26 -14.313 7.891 0.882 173 HA ASN 26 HA ASN 26 -13.039 10.500 1.178 174 HB2 ASN 26 1HB ASN 26 -12.940 8.244 3.174 175 HB3 ASN 26 2HB ASN 26 -12.743 9.970 3.465 176 HD21 ASN 26 1HD2 ASN 26 -14.614 7.860 4.515 177 HD22 ASN 26 2HD2 ASN 26 -16.186 8.552 4.325 178 H GLY 27 H GLY 27 -12.157 8.321 -0.722 179 HA2 GLY 27 1HA GLY 27 -10.184 7.430 -1.487 180 HA3 GLY 27 2HA GLY 27 -9.411 8.740 -0.606 181 H ARG 28 H ARG 28 -11.187 5.809 0.381 182 HA ARG 28 HA ARG 28 -8.845 5.078 2.015 183 HB2 ARG 28 1HB ARG 28 -11.771 4.682 2.666 184 HB3 ARG 28 2HB ARG 28 -10.435 4.057 3.622 185 HG2 ARG 28 1HG ARG 28 -10.579 6.979 3.054 186 HG3 ARG 28 2HG ARG 28 -11.622 6.278 4.293 187 HD2 ARG 28 1HD ARG 28 -9.868 5.747 5.664 188 HD3 ARG 28 2HD ARG 28 -8.733 5.580 4.325 189 HE ARG 28 HE ARG 28 -9.397 8.248 4.410 190 HH11 ARG 28 2HH1 ARG 28 -7.967 5.931 6.579 191 HH12 ARG 28 1HH1 ARG 28 -7.003 7.108 7.409 192 HH21 ARG 28 2HH2 ARG 28 -8.133 9.807 5.494 193 HH22 ARG 28 1HH2 ARG 28 -7.099 9.312 6.792 194 H PHE 29 H PHE 29 -8.055 3.074 1.767 195 HA PHE 29 HA PHE 29 -9.482 1.280 -0.070 196 HB2 PHE 29 1HB PHE 29 -6.568 1.550 0.653 197 HB3 PHE 29 2HB PHE 29 -7.191 0.148 -0.211 198 HD1 PHE 29 2HD PHE 29 -6.701 3.797 -0.384 199 HD2 PHE 29 1HD PHE 29 -7.700 0.252 -2.517 200 HE1 PHE 29 2HE PHE 29 -6.490 5.020 -2.508 201 HE2 PHE 29 1HE PHE 29 -7.489 1.469 -4.645 202 HZ PHE 29 HZ PHE 29 -6.885 3.857 -4.642 203 H GLY 30 H GLY 30 -8.807 -1.132 0.362 204 HA2 GLY 30 1HA GLY 30 -9.037 -1.652 3.260 205 HA3 GLY 30 2HA GLY 30 -10.077 -2.469 2.102 206 H PHE 31 H PHE 31 -6.617 -1.900 2.734 207 HA PHE 31 HA PHE 31 -6.076 -4.721 2.616 208 HB2 PHE 31 1HB PHE 31 -4.584 -4.703 0.726 209 HB3 PHE 31 2HB PHE 31 -6.136 -4.056 0.204 210 HD1 PHE 31 2HD PHE 31 -6.380 -1.722 -0.378 211 HD2 PHE 31 1HD PHE 31 -2.630 -3.294 0.880 212 HE1 PHE 31 2HE PHE 31 -5.254 0.296 -1.223 213 HE2 PHE 31 1HE PHE 31 -1.498 -1.278 0.038 214 HZ PHE 31 HZ PHE 31 -2.810 0.520 -1.016 215 H ASN 32 H ASN 32 -4.321 -5.230 3.804 216 HA ASN 32 HA ASN 32 -2.813 -3.003 4.962 217 HB2 ASN 32 1HB ASN 32 -2.968 -5.897 5.836 218 HB3 ASN 32 2HB ASN 32 -2.147 -4.600 6.701 219 HD21 ASN 32 1HD2 ASN 32 -3.243 -3.705 8.282 220 HD22 ASN 32 2HD2 ASN 32 -4.963 -3.678 8.444 221 H VAL 33 H VAL 33 -0.520 -3.106 5.166 222 HA VAL 33 HA VAL 33 0.799 -4.931 3.267 223 HB VAL 33 HB VAL 33 2.428 -2.984 2.870 224 HG11 VAL 33 1HG1 VAL 33 1.323 -2.434 0.929 225 HG12 VAL 33 2HG1 VAL 33 0.509 -3.937 1.368 226 HG13 VAL 33 3HG1 VAL 33 -0.256 -2.386 1.713 227 HG21 VAL 33 1HG2 VAL 33 0.074 -1.505 4.030 228 HG22 VAL 33 2HG2 VAL 33 1.746 -1.477 4.590 229 HG23 VAL 33 3HG2 VAL 33 1.321 -0.741 3.044 230 H LYS 34 H LYS 34 3.255 -4.885 3.617 231 HA LYS 34 HA LYS 34 4.083 -4.358 6.345 232 HB2 LYS 34 1HB LYS 34 5.023 -6.830 6.335 233 HB3 LYS 34 2HB LYS 34 3.401 -6.472 6.913 234 HG2 LYS 34 1HG LYS 34 2.449 -7.166 4.812 235 HG3 LYS 34 2HG LYS 34 4.058 -7.403 4.125 236 HD2 LYS 34 1HD LYS 34 3.387 -8.855 6.630 237 HD3 LYS 34 2HD LYS 34 2.644 -9.413 5.129 238 HE2 LYS 34 1HE LYS 34 5.583 -8.885 5.218 239 HE3 LYS 34 2HE LYS 34 4.947 -10.378 5.907 240 HZ1 LYS 34 1HZ LYS 34 4.885 -11.214 3.874 241 HZ2 LYS 34 2HZ LYS 34 5.413 -9.753 3.205 242 HZ3 LYS 34 3HZ LYS 34 3.758 -10.039 3.413 243 H GLY 35 H GLY 35 6.049 -3.503 6.250 244 HA2 GLY 35 1HA GLY 35 8.411 -4.106 5.593 245 HA3 GLY 35 2HA GLY 35 7.769 -4.235 3.962 246 H GLY 36 H GLY 36 9.527 -2.651 3.550 247 HA2 GLY 36 1HA GLY 36 8.952 -0.286 2.674 248 HA3 GLY 36 2HA GLY 36 8.823 0.079 4.389 249 H TYR 37 H TYR 37 10.603 1.355 2.600 250 HA TYR 37 HA TYR 37 13.154 0.483 2.349 251 HB2 TYR 37 1HB TYR 37 12.846 2.614 1.510 252 HB3 TYR 37 2HB TYR 37 12.011 3.178 2.953 253 HD1 TYR 37 1HD TYR 37 13.392 3.577 5.054 254 HD2 TYR 37 2HD TYR 37 15.139 3.020 1.215 255 HE1 TYR 37 1HE TYR 37 15.471 4.616 5.856 256 HE2 TYR 37 2HE TYR 37 17.224 4.057 2.007 257 HH TYR 37 HH TYR 37 18.390 4.470 4.114 258 H ASP 38 H ASP 38 11.560 1.421 5.312 259 HA ASP 38 HA ASP 38 13.668 1.814 7.035 260 HB2 ASP 38 1HB ASP 38 10.925 0.673 7.380 261 HB3 ASP 38 2HB ASP 38 12.055 0.592 8.729 262 H GLN 39 H GLN 39 12.266 -1.263 5.982 263 HA GLN 39 HA GLN 39 14.511 -2.658 7.277 264 HB2 GLN 39 1HB GLN 39 11.727 -3.560 6.569 265 HB3 GLN 39 2HB GLN 39 13.010 -4.708 6.929 266 HG2 GLN 39 1HG GLN 39 12.226 -2.509 8.816 267 HG3 GLN 39 2HG GLN 39 11.466 -4.100 8.830 268 HE21 GLN 39 1HE2 GLN 39 12.996 -5.956 9.006 269 HE22 GLN 39 2HE2 GLN 39 14.346 -5.775 10.068 270 H LYS 40 H LYS 40 14.738 -1.312 4.747 271 HA LYS 40 HA LYS 40 15.190 -1.676 2.508 272 HB2 LYS 40 1HB LYS 40 16.831 -3.777 3.933 273 HB3 LYS 40 2HB LYS 40 17.095 -3.278 2.268 274 HG2 LYS 40 1HG LYS 40 17.187 -1.361 4.579 275 HG3 LYS 40 2HG LYS 40 18.603 -2.236 3.992 276 HD2 LYS 40 1HD LYS 40 18.281 -1.244 1.770 277 HD3 LYS 40 2HD LYS 40 16.880 -0.356 2.375 278 HE2 LYS 40 1HE LYS 40 18.615 1.200 2.474 279 HE3 LYS 40 2HE LYS 40 18.493 0.600 4.127 280 HZ1 LYS 40 1HZ LYS 40 20.299 -1.030 3.436 281 HZ2 LYS 40 2HZ LYS 40 20.759 0.583 3.656 282 HZ3 LYS 40 3HZ LYS 40 20.543 -0.029 2.094 283 H MET 41 H MET 41 12.799 -3.073 3.359 284 HA MET 41 HA MET 41 12.909 -5.361 1.505 285 HB2 MET 41 1HB MET 41 11.341 -6.556 2.843 286 HB3 MET 41 2HB MET 41 12.601 -5.982 3.927 287 HG2 MET 41 1HG MET 41 11.188 -4.203 4.711 288 HG3 MET 41 2HG MET 41 9.947 -4.623 3.532 289 HE1 MET 41 1HE MET 41 8.223 -6.325 3.767 290 HE2 MET 41 2HE MET 41 9.382 -7.644 3.598 291 HE3 MET 41 3HE MET 41 8.204 -7.667 4.912 292 HA PRO 42 HA PRO 42 9.729 -3.440 -0.835 293 HB2 PRO 42 1HB PRO 42 8.422 -5.612 -1.805 294 HB3 PRO 42 2HB PRO 42 10.021 -5.119 -2.376 295 HG2 PRO 42 1HG PRO 42 9.289 -7.241 -0.396 296 HG3 PRO 42 2HG PRO 42 10.485 -7.296 -1.704 297 HD2 PRO 42 1HD PRO 42 11.171 -6.871 0.880 298 HD3 PRO 42 2HD PRO 42 12.067 -6.156 -0.475 299 H VAL 43 H VAL 43 7.332 -3.380 -1.138 300 HA VAL 43 HA VAL 43 6.031 -3.642 1.457 301 HB VAL 43 HB VAL 43 5.120 -2.295 -1.089 302 HG11 VAL 43 1HG1 VAL 43 3.214 -1.504 0.066 303 HG12 VAL 43 2HG1 VAL 43 3.286 -3.241 0.375 304 HG13 VAL 43 3HG1 VAL 43 3.814 -2.101 1.614 305 HG21 VAL 43 1HG2 VAL 43 6.112 -0.437 -0.356 306 HG22 VAL 43 2HG2 VAL 43 5.470 -0.646 1.273 307 HG23 VAL 43 3HG2 VAL 43 6.961 -1.462 0.802 308 H ILE 44 H ILE 44 5.321 -5.676 1.788 309 HA ILE 44 HA ILE 44 3.769 -6.968 -0.352 310 HB ILE 44 HB ILE 44 4.941 -8.274 2.104 311 HG12 ILE 44 1HG1 ILE 44 6.533 -9.273 0.351 312 HG13 ILE 44 2HG1 ILE 44 6.009 -7.960 -0.697 313 HG21 ILE 44 1HG2 ILE 44 4.484 -10.029 -0.104 314 HG22 ILE 44 2HG2 ILE 44 3.788 -10.075 1.516 315 HG23 ILE 44 3HG2 ILE 44 3.006 -9.133 0.247 316 HD11 ILE 44 1HD1 ILE 44 6.757 -6.917 1.859 317 HD12 ILE 44 2HD1 ILE 44 8.051 -7.925 1.211 318 HD13 ILE 44 3HD1 ILE 44 7.430 -6.572 0.266 319 H VAL 45 H VAL 45 1.714 -7.729 0.027 320 HA VAL 45 HA VAL 45 0.176 -6.378 1.988 321 HB VAL 45 HB VAL 45 -0.565 -8.728 0.239 322 HG11 VAL 45 1HG1 VAL 45 -2.693 -6.957 1.178 323 HG12 VAL 45 2HG1 VAL 45 -2.639 -8.718 1.087 324 HG13 VAL 45 3HG1 VAL 45 -1.915 -7.882 2.461 325 HG21 VAL 45 1HG2 VAL 45 -1.475 -7.165 -1.281 326 HG22 VAL 45 2HG2 VAL 45 -1.300 -5.835 -0.136 327 HG23 VAL 45 3HG2 VAL 45 0.130 -6.559 -0.871 328 H SER 46 H SER 46 -0.432 -6.955 3.984 329 HA SER 46 HA SER 46 0.603 -9.467 5.051 330 HB2 SER 46 1HB SER 46 0.055 -8.480 7.263 331 HB3 SER 46 2HB SER 46 1.121 -7.446 6.312 332 HG SER 46 HG SER 46 -0.549 -6.083 5.907 333 H ARG 47 H ARG 47 -2.443 -7.615 5.207 334 HA ARG 47 HA ARG 47 -3.923 -10.134 5.083 335 HB2 ARG 47 1HB ARG 47 -3.528 -9.165 7.509 336 HB3 ARG 47 2HB ARG 47 -4.842 -8.088 7.056 337 HG2 ARG 47 1HG ARG 47 -5.810 -9.911 8.206 338 HG3 ARG 47 2HG ARG 47 -6.188 -10.132 6.496 339 HD2 ARG 47 1HD ARG 47 -5.490 -12.243 6.992 340 HD3 ARG 47 2HD ARG 47 -3.938 -11.526 6.559 341 HE ARG 47 HE ARG 47 -4.279 -11.135 9.284 342 HH11 ARG 47 2HH1 ARG 47 -3.968 -13.806 7.072 343 HH12 ARG 47 1HH1 ARG 47 -3.232 -14.855 8.238 344 HH21 ARG 47 2HH2 ARG 47 -3.311 -12.507 10.828 345 HH22 ARG 47 1HH2 ARG 47 -2.860 -14.115 10.374 346 H VAL 48 H VAL 48 -6.218 -9.823 4.586 347 HA VAL 48 HA VAL 48 -6.825 -7.227 3.350 348 HB VAL 48 HB VAL 48 -7.363 -9.888 2.026 349 HG11 VAL 48 1HG1 VAL 48 -7.642 -7.149 0.823 350 HG12 VAL 48 2HG1 VAL 48 -8.260 -8.686 0.214 351 HG13 VAL 48 3HG1 VAL 48 -8.973 -7.954 1.652 352 HG21 VAL 48 1HG2 VAL 48 -5.508 -7.824 0.926 353 HG22 VAL 48 2HG2 VAL 48 -4.930 -8.945 2.158 354 HG23 VAL 48 3HG2 VAL 48 -5.557 -9.562 0.629 355 H ALA 49 H ALA 49 -8.646 -6.462 4.174 356 HA ALA 49 HA ALA 49 -10.466 -8.157 5.622 357 HB1 ALA 49 1HB ALA 49 -10.669 -6.239 6.729 358 HB2 ALA 49 2HB ALA 49 -9.930 -5.323 5.415 359 HB3 ALA 49 3HB ALA 49 -11.660 -5.664 5.388 360 HA PRO 50 HA PRO 50 -13.376 -9.007 2.440 361 HB2 PRO 50 1HB PRO 50 -15.658 -9.183 3.900 362 HB3 PRO 50 2HB PRO 50 -14.397 -10.421 3.936 363 HG2 PRO 50 1HG PRO 50 -14.928 -8.201 5.873 364 HG3 PRO 50 2HG PRO 50 -14.512 -9.894 6.198 365 HD2 PRO 50 1HD PRO 50 -12.689 -7.896 6.325 366 HD3 PRO 50 2HD PRO 50 -12.265 -9.545 5.824 367 H GLY 51 H GLY 51 -15.468 -8.235 1.506 368 HA2 GLY 51 1HA GLY 51 -16.604 -6.491 0.522 369 HA3 GLY 51 2HA GLY 51 -16.837 -5.953 2.179 370 H THR 52 H THR 52 -13.834 -6.154 0.308 371 HA THR 52 HA THR 52 -13.579 -3.229 0.583 372 HB THR 52 HB THR 52 -11.081 -3.642 0.557 373 HG1 THR 52 1HG THR 52 -11.922 -6.308 1.130 374 HG21 THR 52 1HG2 THR 52 -11.979 -3.024 2.633 375 HG22 THR 52 2HG2 THR 52 -11.088 -4.507 2.975 376 HG23 THR 52 3HG2 THR 52 -12.843 -4.551 2.814 377 HA PRO 53 HA PRO 53 -13.090 -2.932 -3.772 378 HB2 PRO 53 1HB PRO 53 -11.408 -0.809 -3.956 379 HB3 PRO 53 2HB PRO 53 -13.106 -0.651 -3.493 380 HG2 PRO 53 1HG PRO 53 -10.668 -0.715 -1.758 381 HG3 PRO 53 2HG PRO 53 -12.090 0.339 -1.650 382 HD2 PRO 53 1HD PRO 53 -11.757 -1.825 -0.057 383 HD3 PRO 53 2HD PRO 53 -13.357 -1.268 -0.589 384 H ALA 54 H ALA 54 -10.696 -4.059 -1.802 385 HA ALA 54 HA ALA 54 -8.765 -4.341 -4.008 386 HB1 ALA 54 1HB ALA 54 -7.442 -5.167 -1.748 387 HB2 ALA 54 2HB ALA 54 -7.331 -3.566 -2.480 388 HB3 ALA 54 3HB ALA 54 -8.455 -3.852 -1.151 389 H ASP 55 H ASP 55 -11.043 -5.997 -2.134 390 HA ASP 55 HA ASP 55 -9.784 -8.602 -2.620 391 HB2 ASP 55 1HB ASP 55 -10.781 -7.870 -0.336 392 HB3 ASP 55 2HB ASP 55 -12.338 -8.204 -1.089 393 H LEU 56 H LEU 56 -12.798 -6.825 -3.182 394 HA LEU 56 HA LEU 56 -13.984 -8.915 -4.735 395 HB2 LEU 56 1HB LEU 56 -14.746 -6.005 -4.729 396 HB3 LEU 56 2HB LEU 56 -15.759 -7.383 -5.156 397 HG LEU 56 HG LEU 56 -14.684 -7.208 -2.382 398 HD11 LEU 56 1HD1 LEU 56 -17.114 -5.997 -2.154 399 HD12 LEU 56 2HD1 LEU 56 -16.477 -5.256 -3.622 400 HD13 LEU 56 3HD1 LEU 56 -15.559 -5.165 -2.119 401 HD21 LEU 56 1HD2 LEU 56 -16.007 -9.148 -3.320 402 HD22 LEU 56 2HD2 LEU 56 -17.391 -8.057 -3.385 403 HD23 LEU 56 3HD2 LEU 56 -16.632 -8.429 -1.836 404 H CYS 57 H CYS 57 -11.852 -6.276 -5.384 405 HA CYS 57 HA CYS 57 -12.370 -5.956 -8.143 406 HB2 CYS 57 1HB CYS 57 -10.302 -4.732 -8.230 407 HB3 CYS 57 2HB CYS 57 -11.102 -4.340 -6.713 408 HG CYS 57 HG CYS 57 -8.483 -6.517 -7.054 409 H VAL 58 H VAL 58 -10.878 -6.541 -9.903 410 HA VAL 58 HA VAL 58 -9.549 -9.129 -9.442 411 HB VAL 58 HB VAL 58 -11.234 -8.405 -11.844 412 HG11 VAL 58 1HG1 VAL 58 -10.750 -10.573 -12.703 413 HG12 VAL 58 2HG1 VAL 58 -9.208 -9.820 -12.291 414 HG13 VAL 58 3HG1 VAL 58 -9.909 -11.038 -11.224 415 HG21 VAL 58 1HG2 VAL 58 -12.136 -9.226 -9.412 416 HG22 VAL 58 2HG2 VAL 58 -12.961 -9.524 -10.942 417 HG23 VAL 58 3HG2 VAL 58 -11.920 -10.766 -10.245 418 HA PRO 59 HA PRO 59 -8.215 -10.493 -10.321 419 HB2 PRO 59 1HB PRO 59 -5.614 -10.771 -9.593 420 HB3 PRO 59 2HB PRO 59 -6.181 -11.026 -11.247 421 HG2 PRO 59 1HG PRO 59 -4.857 -8.624 -10.049 422 HG3 PRO 59 2HG PRO 59 -4.567 -9.394 -11.620 423 HD2 PRO 59 1HD PRO 59 -6.068 -7.156 -11.349 424 HD3 PRO 59 2HD PRO 59 -6.391 -8.378 -12.596 425 H ARG 60 H ARG 60 -8.536 -11.183 -8.257 426 HA ARG 60 HA ARG 60 -8.855 -9.360 -6.184 427 HB2 ARG 60 1HB ARG 60 -10.046 -11.386 -6.015 428 HB3 ARG 60 2HB ARG 60 -8.594 -12.356 -6.224 429 HG2 ARG 60 1HG ARG 60 -7.890 -12.001 -4.039 430 HG3 ARG 60 2HG ARG 60 -8.917 -10.580 -3.839 431 HD2 ARG 60 1HD ARG 60 -10.875 -11.903 -3.700 432 HD3 ARG 60 2HD ARG 60 -10.026 -13.343 -4.261 433 HE ARG 60 HE ARG 60 -8.793 -12.516 -1.911 434 HH11 ARG 60 2HH1 ARG 60 -11.898 -13.704 -2.945 435 HH12 ARG 60 1HH1 ARG 60 -12.263 -14.453 -1.426 436 HH21 ARG 60 2HH2 ARG 60 -9.263 -13.498 0.094 437 HH22 ARG 60 1HH2 ARG 60 -10.764 -14.334 0.302 438 H LEU 61 H LEU 61 -7.529 -8.471 -4.731 439 HA LEU 61 HA LEU 61 -4.702 -9.011 -4.890 440 HB2 LEU 61 1HB LEU 61 -5.612 -6.727 -4.659 441 HB3 LEU 61 2HB LEU 61 -6.212 -7.153 -3.057 442 HG LEU 61 HG LEU 61 -3.829 -7.561 -2.379 443 HD11 LEU 61 1HD1 LEU 61 -3.084 -6.011 -4.835 444 HD12 LEU 61 2HD1 LEU 61 -3.092 -7.774 -4.821 445 HD13 LEU 61 3HD1 LEU 61 -2.040 -6.890 -3.717 446 HD21 LEU 61 1HD2 LEU 61 -4.901 -5.540 -1.697 447 HD22 LEU 61 2HD2 LEU 61 -4.674 -4.816 -3.289 448 HD23 LEU 61 3HD2 LEU 61 -3.279 -5.127 -2.254 449 H ASN 62 H ASN 62 -4.129 -10.914 -3.985 450 HA ASN 62 HA ASN 62 -5.179 -11.628 -1.354 451 HB2 ASN 62 1HB ASN 62 -3.833 -13.099 -3.565 452 HB3 ASN 62 2HB ASN 62 -3.584 -13.697 -1.927 453 HD21 ASN 62 1HD2 ASN 62 -5.896 -13.139 -4.458 454 HD22 ASN 62 2HD2 ASN 62 -7.160 -14.112 -3.793 455 H GLU 63 H GLU 63 -3.571 -12.581 0.218 456 HA GLU 63 HA GLU 63 -1.670 -10.631 0.921 457 HB2 GLU 63 1HB GLU 63 -1.986 -13.483 1.871 458 HB3 GLU 63 2HB GLU 63 -0.921 -12.301 2.619 459 HG2 GLU 63 1HG GLU 63 -2.745 -10.960 3.311 460 HG3 GLU 63 2HG GLU 63 -3.879 -11.878 2.323 461 H GLY 64 H GLY 64 0.651 -10.897 1.154 462 HA2 GLY 64 1HA GLY 64 2.746 -11.699 0.521 463 HA3 GLY 64 2HA GLY 64 1.953 -12.939 -0.439 464 H ASP 65 H ASP 65 0.264 -10.748 -1.687 465 HA ASP 65 HA ASP 65 1.660 -10.441 -4.058 466 HB2 ASP 65 1HB ASP 65 -0.539 -8.736 -2.878 467 HB3 ASP 65 2HB ASP 65 0.041 -8.573 -4.533 468 H GLN 66 H GLN 66 3.794 -9.809 -3.583 469 HA GLN 66 HA GLN 66 4.448 -7.442 -2.175 470 HB2 GLN 66 1HB GLN 66 6.079 -9.213 -2.428 471 HB3 GLN 66 2HB GLN 66 6.031 -9.057 -4.179 472 HG2 GLN 66 1HG GLN 66 6.901 -6.732 -3.915 473 HG3 GLN 66 2HG GLN 66 7.116 -7.073 -2.199 474 HE21 GLN 66 1HE2 GLN 66 8.836 -6.700 -4.806 475 HE22 GLN 66 2HE2 GLN 66 10.070 -7.890 -4.595 476 H VAL 67 H VAL 67 4.025 -5.438 -2.795 477 HA VAL 67 HA VAL 67 3.376 -4.783 -5.510 478 HB VAL 67 HB VAL 67 3.846 -2.876 -3.217 479 HG11 VAL 67 1HG1 VAL 67 1.918 -2.357 -5.411 480 HG12 VAL 67 2HG1 VAL 67 2.922 -1.233 -4.494 481 HG13 VAL 67 3HG1 VAL 67 3.636 -2.208 -5.779 482 HG21 VAL 67 1HG2 VAL 67 1.419 -4.461 -4.003 483 HG22 VAL 67 2HG2 VAL 67 2.185 -4.330 -2.420 484 HG23 VAL 67 3HG2 VAL 67 1.296 -2.960 -3.085 485 H VAL 68 H VAL 68 4.950 -4.695 -6.983 486 HA VAL 68 HA VAL 68 7.656 -4.038 -6.367 487 HB VAL 68 HB VAL 68 6.353 -4.128 -9.090 488 HG11 VAL 68 1HG1 VAL 68 8.619 -3.042 -8.859 489 HG12 VAL 68 2HG1 VAL 68 9.233 -4.622 -8.368 490 HG13 VAL 68 3HG1 VAL 68 8.534 -4.405 -9.973 491 HG21 VAL 68 1HG2 VAL 68 7.015 -6.243 -7.194 492 HG22 VAL 68 2HG2 VAL 68 6.002 -6.291 -8.637 493 HG23 VAL 68 3HG2 VAL 68 7.751 -6.471 -8.780 494 H LEU 69 H LEU 69 4.913 -2.266 -7.658 495 HA LEU 69 HA LEU 69 6.241 0.237 -7.105 496 HB2 LEU 69 1HB LEU 69 5.396 -0.472 -9.910 497 HB3 LEU 69 2HB LEU 69 5.867 1.139 -9.374 498 HG LEU 69 HG LEU 69 7.702 -1.251 -9.299 499 HD11 LEU 69 1HD1 LEU 69 7.852 0.944 -11.328 500 HD12 LEU 69 2HD1 LEU 69 6.850 -0.480 -11.608 501 HD13 LEU 69 3HD1 LEU 69 8.586 -0.660 -11.360 502 HD21 LEU 69 1HD2 LEU 69 8.673 1.539 -9.423 503 HD22 LEU 69 2HD2 LEU 69 9.323 0.145 -8.559 504 HD23 LEU 69 3HD2 LEU 69 7.938 1.021 -7.906 505 H ILE 70 H ILE 70 4.774 2.102 -7.430 506 HA ILE 70 HA ILE 70 1.935 1.329 -7.374 507 HB ILE 70 HB ILE 70 3.277 3.272 -5.491 508 HG12 ILE 70 1HG1 ILE 70 1.963 0.584 -5.052 509 HG13 ILE 70 2HG1 ILE 70 3.663 0.979 -4.823 510 HG21 ILE 70 1HG2 ILE 70 0.695 3.387 -6.480 511 HG22 ILE 70 2HG2 ILE 70 0.519 2.589 -4.918 512 HG23 ILE 70 3HG2 ILE 70 1.294 4.171 -5.018 513 HD11 ILE 70 1HD1 ILE 70 2.974 2.556 -3.024 514 HD12 ILE 70 2HD1 ILE 70 1.330 1.938 -3.190 515 HD13 ILE 70 3HD1 ILE 70 2.631 0.859 -2.686 516 H ASN 71 H ASN 71 0.973 2.279 -9.038 517 HA ASN 71 HA ASN 71 0.367 3.807 -10.609 518 HB2 ASN 71 1HB ASN 71 1.267 5.675 -8.411 519 HB3 ASN 71 2HB ASN 71 0.487 6.228 -9.890 520 HD21 ASN 71 1HD2 ASN 71 -1.314 7.029 -8.887 521 HD22 ASN 71 2HD2 ASN 71 -2.500 6.025 -8.131 522 H GLY 72 H GLY 72 3.012 2.698 -10.767 523 HA2 GLY 72 1HA GLY 72 4.887 2.946 -12.069 524 HA3 GLY 72 2HA GLY 72 4.097 4.341 -12.790 525 H ARG 73 H ARG 73 4.946 3.927 -9.389 526 HA ARG 73 HA ARG 73 7.070 5.928 -9.693 527 HB2 ARG 73 1HB ARG 73 4.719 6.066 -7.812 528 HB3 ARG 73 2HB ARG 73 6.207 6.956 -7.516 529 HG2 ARG 73 1HG ARG 73 4.673 7.221 -10.081 530 HG3 ARG 73 2HG ARG 73 4.317 8.203 -8.658 531 HD2 ARG 73 1HD ARG 73 7.135 8.039 -9.599 532 HD3 ARG 73 2HD ARG 73 6.000 9.020 -10.525 533 HE ARG 73 HE ARG 73 5.773 9.674 -7.803 534 HH11 ARG 73 2HH1 ARG 73 7.996 9.988 -10.464 535 HH12 ARG 73 1HH1 ARG 73 8.714 11.446 -9.862 536 HH21 ARG 73 2HH2 ARG 73 6.711 11.592 -7.000 537 HH22 ARG 73 1HH2 ARG 73 7.983 12.356 -7.891 538 H ASP 74 H ASP 74 8.837 5.568 -8.465 539 HA ASP 74 HA ASP 74 9.275 3.073 -7.292 540 HB2 ASP 74 1HB ASP 74 11.360 4.036 -6.419 541 HB3 ASP 74 2HB ASP 74 11.096 4.500 -8.098 542 H ILE 75 H ILE 75 8.549 2.248 -5.457 543 HA ILE 75 HA ILE 75 7.855 4.090 -3.262 544 HB ILE 75 HB ILE 75 6.288 2.335 -2.476 545 HG12 ILE 75 1HG1 ILE 75 6.389 1.012 -5.143 546 HG13 ILE 75 2HG1 ILE 75 7.644 0.595 -3.980 547 HG21 ILE 75 1HG2 ILE 75 5.198 2.689 -5.125 548 HG22 ILE 75 2HG2 ILE 75 4.692 3.404 -3.595 549 HG23 ILE 75 3HG2 ILE 75 5.968 4.165 -4.545 550 HD11 ILE 75 1HD1 ILE 75 6.245 -0.620 -2.738 551 HD12 ILE 75 2HD1 ILE 75 4.936 0.554 -2.883 552 HD13 ILE 75 3HD1 ILE 75 5.222 -0.613 -4.174 553 H ALA 76 H ALA 76 9.562 1.201 -4.187 554 HA ALA 76 HA ALA 76 10.084 -0.050 -1.809 555 HB1 ALA 76 1HB ALA 76 11.171 -1.253 -3.341 556 HB2 ALA 76 2HB ALA 76 11.409 0.144 -4.392 557 HB3 ALA 76 3HB ALA 76 12.529 -0.161 -3.064 558 H GLU 77 H GLU 77 11.445 2.955 -3.005 559 HA GLU 77 HA GLU 77 13.452 3.155 -0.972 560 HB2 GLU 77 1HB GLU 77 12.324 5.137 -2.946 561 HB3 GLU 77 2HB GLU 77 13.576 5.559 -1.786 562 HG2 GLU 77 1HG GLU 77 14.923 3.647 -2.761 563 HG3 GLU 77 2HG GLU 77 13.734 3.611 -4.061 564 H HIS 78 H HIS 78 10.112 4.027 -1.256 565 HA HIS 78 HA HIS 78 10.110 5.917 0.904 566 HB2 HIS 78 1HB HIS 78 7.898 4.499 -0.584 567 HB3 HIS 78 2HB HIS 78 7.595 5.636 0.727 568 HD1 HIS 78 1HD HIS 78 7.335 8.002 0.043 569 HD2 HIS 78 2HD HIS 78 9.404 5.784 -2.796 570 HE1 HIS 78 1HE HIS 78 7.700 9.563 -1.895 571 HE2 HIS 78 2HE HIS 78 8.878 8.174 -3.634 572 H THR 79 H THR 79 9.008 5.625 2.933 573 HA THR 79 HA THR 79 9.476 2.963 4.029 574 HB THR 79 HB THR 79 8.853 4.224 6.224 575 HG1 THR 79 1HG THR 79 8.071 6.127 5.287 576 HG21 THR 79 1HG2 THR 79 11.076 3.496 5.938 577 HG22 THR 79 2HG2 THR 79 11.204 5.224 6.268 578 HG23 THR 79 3HG2 THR 79 11.363 4.628 4.617 579 H HIS 80 H HIS 80 7.861 2.308 5.815 580 HA HIS 80 HA HIS 80 5.439 1.629 4.670 581 HB2 HIS 80 1HB HIS 80 6.417 0.541 6.675 582 HB3 HIS 80 2HB HIS 80 5.987 1.958 7.627 583 HD1 HIS 80 1HD HIS 80 4.819 -1.293 7.030 584 HD2 HIS 80 2HD HIS 80 2.962 2.418 7.235 585 HE1 HIS 80 1HE HIS 80 2.394 -1.779 7.486 586 HE2 HIS 80 2HE HIS 80 1.275 0.478 7.521 587 H ASP 81 H ASP 81 6.009 4.183 7.093 588 HA ASP 81 HA ASP 81 3.444 5.201 7.238 589 HB2 ASP 81 1HB ASP 81 6.105 6.614 7.471 590 HB3 ASP 81 2HB ASP 81 4.565 7.379 7.855 591 H GLN 82 H GLN 82 6.078 6.480 5.194 592 HA GLN 82 HA GLN 82 4.659 8.373 3.798 593 HB2 GLN 82 1HB GLN 82 6.974 6.629 3.006 594 HB3 GLN 82 2HB GLN 82 6.296 7.798 1.880 595 HG2 GLN 82 1HG GLN 82 7.146 8.628 4.624 596 HG3 GLN 82 2HG GLN 82 8.318 8.472 3.316 597 HE21 GLN 82 1HE2 GLN 82 8.356 10.851 4.150 598 HE22 GLN 82 2HE2 GLN 82 7.412 11.955 3.215 599 H VAL 83 H VAL 83 5.340 5.098 2.550 600 HA VAL 83 HA VAL 83 3.874 5.010 0.307 601 HB VAL 83 HB VAL 83 3.907 2.857 2.425 602 HG11 VAL 83 1HG1 VAL 83 2.332 2.997 0.114 603 HG12 VAL 83 2HG1 VAL 83 3.656 1.895 -0.271 604 HG13 VAL 83 3HG1 VAL 83 2.627 1.585 1.128 605 HG21 VAL 83 1HG2 VAL 83 5.550 2.872 -0.073 606 HG22 VAL 83 2HG2 VAL 83 6.083 3.780 1.342 607 HG23 VAL 83 3HG2 VAL 83 5.840 2.036 1.452 608 H VAL 84 H VAL 84 2.457 4.191 3.481 609 HA VAL 84 HA VAL 84 -0.152 3.835 2.803 610 HB VAL 84 HB VAL 84 0.830 5.344 5.230 611 HG11 VAL 84 1HG1 VAL 84 -1.251 5.330 6.075 612 HG12 VAL 84 2HG1 VAL 84 -1.748 5.170 4.389 613 HG13 VAL 84 3HG1 VAL 84 -1.618 3.738 5.412 614 HG21 VAL 84 1HG2 VAL 84 1.643 2.918 4.651 615 HG22 VAL 84 2HG2 VAL 84 1.166 3.336 6.297 616 HG23 VAL 84 3HG2 VAL 84 0.045 2.468 5.248 617 H LEU 85 H LEU 85 1.465 6.945 3.331 618 HA LEU 85 HA LEU 85 -0.894 8.494 2.872 619 HB2 LEU 85 1HB LEU 85 2.011 9.073 3.203 620 HB3 LEU 85 2HB LEU 85 0.963 10.322 2.533 621 HG LEU 85 HG LEU 85 1.292 10.647 4.919 622 HD11 LEU 85 1HD1 LEU 85 -1.426 9.862 5.235 623 HD12 LEU 85 2HD1 LEU 85 -1.194 10.459 3.592 624 HD13 LEU 85 3HD1 LEU 85 -0.761 11.474 4.968 625 HD21 LEU 85 1HD2 LEU 85 0.147 7.870 5.154 626 HD22 LEU 85 2HD2 LEU 85 0.313 8.991 6.506 627 HD23 LEU 85 3HD2 LEU 85 1.747 8.417 5.654 628 H PHE 86 H PHE 86 1.918 7.584 0.924 629 HA PHE 86 HA PHE 86 1.453 9.120 -1.330 630 HB2 PHE 86 1HB PHE 86 3.429 7.576 -0.828 631 HB3 PHE 86 2HB PHE 86 2.432 6.271 -1.461 632 HD1 PHE 86 1HD PHE 86 3.809 9.603 -2.363 633 HD2 PHE 86 2HD PHE 86 2.409 5.824 -3.734 634 HE1 PHE 86 1HE PHE 86 4.531 10.167 -4.646 635 HE2 PHE 86 2HE PHE 86 3.131 6.382 -6.019 636 HZ PHE 86 HZ PHE 86 4.194 8.556 -6.477 637 H ILE 87 H ILE 87 0.001 6.055 -0.377 638 HA ILE 87 HA ILE 87 -1.377 5.581 -2.809 639 HB ILE 87 HB ILE 87 -2.162 4.602 -0.064 640 HG12 ILE 87 1HG1 ILE 87 -0.514 2.995 -1.975 641 HG13 ILE 87 2HG1 ILE 87 0.281 4.206 -0.975 642 HG21 ILE 87 1HG2 ILE 87 -2.557 3.009 -2.531 643 HG22 ILE 87 2HG2 ILE 87 -3.543 3.106 -1.073 644 HG23 ILE 87 3HG2 ILE 87 -3.620 4.393 -2.277 645 HD11 ILE 87 1HD1 ILE 87 0.214 2.892 0.807 646 HD12 ILE 87 2HD1 ILE 87 -1.497 2.533 0.572 647 HD13 ILE 87 3HD1 ILE 87 -0.273 1.594 -0.283 648 H LYS 88 H LYS 88 -2.332 7.095 0.252 649 HA LYS 88 HA LYS 88 -5.026 7.553 -0.416 650 HB2 LYS 88 1HB LYS 88 -3.198 9.040 1.477 651 HB3 LYS 88 2HB LYS 88 -4.938 9.282 1.386 652 HG2 LYS 88 1HG LYS 88 -5.259 6.902 1.974 653 HG3 LYS 88 2HG LYS 88 -3.512 6.750 2.172 654 HD2 LYS 88 1HD LYS 88 -3.601 8.534 3.894 655 HD3 LYS 88 2HD LYS 88 -5.360 8.547 3.742 656 HE2 LYS 88 1HE LYS 88 -3.712 6.142 4.517 657 HE3 LYS 88 2HE LYS 88 -4.544 7.200 5.656 658 HZ1 LYS 88 1HZ LYS 88 -5.657 5.240 3.786 659 HZ2 LYS 88 2HZ LYS 88 -6.578 6.615 4.136 660 HZ3 LYS 88 3HZ LYS 88 -6.099 5.578 5.384 661 H ALA 89 H ALA 89 -2.093 9.317 -1.126 662 HA ALA 89 HA ALA 89 -3.059 11.808 -1.811 663 HB1 ALA 89 1HB ALA 89 -0.758 11.646 -1.861 664 HB2 ALA 89 2HB ALA 89 -0.777 10.168 -2.823 665 HB3 ALA 89 3HB ALA 89 -1.155 11.716 -3.578 666 H SER 90 H SER 90 -3.456 8.787 -3.468 667 HA SER 90 HA SER 90 -3.903 9.379 -6.062 668 HB2 SER 90 1HB SER 90 -5.263 7.484 -6.204 669 HB3 SER 90 2HB SER 90 -4.324 7.172 -4.744 670 HG SER 90 HG SER 90 -6.688 6.860 -4.624 671 H CYS 91 H CYS 91 -5.983 10.238 -3.367 672 HA CYS 91 HA CYS 91 -8.209 11.107 -4.865 673 HB2 CYS 91 1HB CYS 91 -7.930 10.677 -2.296 674 HB3 CYS 91 2HB CYS 91 -7.470 12.374 -2.252 675 HG CYS 91 HG CYS 91 -10.458 11.196 -3.437 676 H GLU 92 H GLU 92 -5.566 12.979 -3.372 677 HA GLU 92 HA GLU 92 -6.353 15.452 -4.494 678 HB2 GLU 92 1HB GLU 92 -4.167 16.265 -3.780 679 HB3 GLU 92 2HB GLU 92 -4.905 15.290 -2.518 680 HG2 GLU 92 1HG GLU 92 -3.381 13.606 -2.727 681 HG3 GLU 92 2HG GLU 92 -3.057 13.960 -4.423 682 H ARG 93 H ARG 93 -4.490 12.790 -5.701 683 HA ARG 93 HA ARG 93 -3.211 14.241 -7.816 684 HB2 ARG 93 1HB ARG 93 -3.475 11.361 -7.058 685 HB3 ARG 93 2HB ARG 93 -2.948 11.765 -8.686 686 HG2 ARG 93 1HG ARG 93 -1.122 13.126 -7.702 687 HG3 ARG 93 2HG ARG 93 -1.616 12.557 -6.107 688 HD2 ARG 93 1HD ARG 93 -1.046 10.325 -6.618 689 HD3 ARG 93 2HD ARG 93 -0.916 10.673 -8.341 690 HE ARG 93 HE ARG 93 1.091 11.113 -6.320 691 HH11 ARG 93 2HH1 ARG 93 -0.043 11.977 -9.496 692 HH12 ARG 93 1HH1 ARG 93 1.507 12.522 -10.044 693 HH21 ARG 93 2HH2 ARG 93 3.138 11.827 -7.030 694 HH22 ARG 93 1HH2 ARG 93 3.316 12.436 -8.641 695 H HIS 94 H HIS 94 -3.861 14.552 -9.877 696 HA HIS 94 HA HIS 94 -6.432 14.754 -10.655 697 HB2 HIS 94 1HB HIS 94 -4.376 15.432 -11.967 698 HB3 HIS 94 2HB HIS 94 -4.298 13.773 -12.554 699 HD1 HIS 94 1HD HIS 94 -5.183 13.682 -14.850 700 HD2 HIS 94 2HD HIS 94 -7.317 16.354 -12.491 701 HE1 HIS 94 1HE HIS 94 -7.005 14.581 -16.332 702 HE2 HIS 94 2HE HIS 94 -8.231 16.259 -14.909 703 H SER 95 H SER 95 -4.478 11.963 -11.717 704 HA SER 95 HA SER 95 -6.639 10.427 -12.595 705 HB2 SER 95 1HB SER 95 -5.062 8.501 -12.465 706 HB3 SER 95 2HB SER 95 -4.368 9.904 -13.277 707 HG SER 95 HG SER 95 -3.713 10.288 -10.839 708 H GLY 96 H GLY 96 -8.239 10.648 -10.941 709 HA2 GLY 96 1HA GLY 96 -8.075 10.046 -8.280 710 HA3 GLY 96 2HA GLY 96 -9.490 9.693 -9.260 711 H GLU 97 H GLU 97 -8.677 7.689 -10.882 712 HA GLU 97 HA GLU 97 -8.936 5.414 -9.337 713 HB2 GLU 97 1HB GLU 97 -8.420 4.148 -11.296 714 HB3 GLU 97 2HB GLU 97 -9.285 5.587 -11.815 715 HG2 GLU 97 1HG GLU 97 -6.317 5.668 -11.778 716 HG3 GLU 97 2HG GLU 97 -7.118 4.749 -13.051 717 H LEU 98 H LEU 98 -7.336 3.574 -9.221 718 HA LEU 98 HA LEU 98 -4.594 4.526 -8.772 719 HB2 LEU 98 1HB LEU 98 -6.015 4.368 -6.654 720 HB3 LEU 98 2HB LEU 98 -5.958 2.622 -6.891 721 HG LEU 98 HG LEU 98 -3.382 4.111 -6.806 722 HD11 LEU 98 1HD1 LEU 98 -5.081 4.766 -4.877 723 HD12 LEU 98 2HD1 LEU 98 -3.364 4.508 -4.568 724 HD13 LEU 98 3HD1 LEU 98 -4.525 3.228 -4.216 725 HD21 LEU 98 1HD2 LEU 98 -4.356 1.388 -6.578 726 HD22 LEU 98 2HD2 LEU 98 -3.278 1.824 -5.251 727 HD23 LEU 98 3HD2 LEU 98 -2.731 1.984 -6.921 728 H MET 99 H MET 99 -2.971 3.015 -9.114 729 HA MET 99 HA MET 99 -3.809 0.369 -10.078 730 HB2 MET 99 1HB MET 99 -3.276 2.124 -11.915 731 HB3 MET 99 2HB MET 99 -1.600 1.880 -11.441 732 HG2 MET 99 1HG MET 99 -1.830 -0.516 -11.921 733 HG3 MET 99 2HG MET 99 -3.490 -0.237 -12.441 734 HE1 MET 99 1HE MET 99 -3.761 -0.054 -15.396 735 HE2 MET 99 2HE MET 99 -4.234 1.117 -14.166 736 HE3 MET 99 3HE MET 99 -3.355 1.650 -15.600 737 H LEU 100 H LEU 100 -2.374 -1.307 -9.699 738 HA LEU 100 HA LEU 100 0.098 -0.655 -8.256 739 HB2 LEU 100 1HB LEU 100 -1.801 -2.830 -7.402 740 HB3 LEU 100 2HB LEU 100 -0.328 -2.315 -6.583 741 HG LEU 100 HG LEU 100 -2.538 -0.344 -6.928 742 HD11 LEU 100 1HD1 LEU 100 -3.781 -1.129 -5.116 743 HD12 LEU 100 2HD1 LEU 100 -2.520 -2.257 -4.619 744 HD13 LEU 100 3HD1 LEU 100 -3.462 -2.574 -6.076 745 HD21 LEU 100 1HD2 LEU 100 -0.481 -0.882 -4.790 746 HD22 LEU 100 2HD2 LEU 100 -1.682 0.409 -4.738 747 HD23 LEU 100 3HD2 LEU 100 -0.441 0.408 -5.992 748 H LEU 101 H LEU 101 1.725 -2.274 -8.344 749 HA LEU 101 HA LEU 101 1.294 -4.315 -10.424 750 HB2 LEU 101 1HB LEU 101 2.691 -2.336 -11.125 751 HB3 LEU 101 2HB LEU 101 3.883 -2.859 -9.936 752 HG LEU 101 HG LEU 101 4.184 -4.957 -11.162 753 HD11 LEU 101 1HD1 LEU 101 1.811 -4.003 -12.558 754 HD12 LEU 101 2HD1 LEU 101 2.463 -5.635 -12.409 755 HD13 LEU 101 3HD1 LEU 101 3.092 -4.544 -13.644 756 HD21 LEU 101 1HD2 LEU 101 4.435 -2.562 -12.977 757 HD22 LEU 101 2HD2 LEU 101 5.374 -4.053 -13.049 758 HD23 LEU 101 3HD2 LEU 101 5.558 -2.959 -11.677 759 H VAL 102 H VAL 102 1.075 -6.101 -9.176 760 HA VAL 102 HA VAL 102 3.179 -6.650 -7.190 761 HB VAL 102 HB VAL 102 1.676 -8.153 -6.087 762 HG11 VAL 102 1HG1 VAL 102 0.371 -5.539 -6.819 763 HG12 VAL 102 2HG1 VAL 102 -0.234 -6.610 -5.554 764 HG13 VAL 102 3HG1 VAL 102 1.371 -5.892 -5.410 765 HG21 VAL 102 1HG2 VAL 102 -0.297 -7.603 -8.302 766 HG22 VAL 102 2HG2 VAL 102 0.623 -9.094 -8.100 767 HG23 VAL 102 3HG2 VAL 102 -0.570 -8.623 -6.889 768 H ARG 103 H ARG 103 3.543 -9.100 -6.906 769 HA ARG 103 HA ARG 103 4.008 -10.225 -9.581 770 HB2 ARG 103 1HB ARG 103 5.922 -9.787 -7.913 771 HB3 ARG 103 2HB ARG 103 5.303 -11.182 -7.040 772 HG2 ARG 103 1HG ARG 103 5.740 -12.628 -8.874 773 HG3 ARG 103 2HG ARG 103 6.100 -11.266 -9.937 774 HD2 ARG 103 1HD ARG 103 7.689 -11.688 -7.439 775 HD3 ARG 103 2HD ARG 103 8.045 -12.635 -8.883 776 HE ARG 103 HE ARG 103 8.030 -10.113 -9.825 777 HH11 ARG 103 2HH1 ARG 103 9.617 -11.607 -7.110 778 HH12 ARG 103 1HH1 ARG 103 10.981 -10.540 -7.153 779 HH21 ARG 103 2HH2 ARG 103 9.821 -8.701 -9.892 780 HH22 ARG 103 1HH2 ARG 103 11.096 -8.887 -8.735 781 HA PRO 104 HA PRO 104 0.965 -13.327 -8.798 782 HB2 PRO 104 1HB PRO 104 1.707 -15.075 -10.739 783 HB3 PRO 104 2HB PRO 104 0.854 -13.565 -11.081 784 HG2 PRO 104 1HG PRO 104 3.777 -14.179 -11.290 785 HG3 PRO 104 2HG PRO 104 2.740 -13.275 -12.410 786 HD2 PRO 104 1HD PRO 104 4.394 -12.054 -10.647 787 HD3 PRO 104 2HD PRO 104 2.844 -11.348 -11.149 788 H ASN 105 H ASN 105 0.784 -15.554 -8.136 789 HA ASN 105 HA ASN 105 3.282 -16.603 -6.979 790 HB2 ASN 105 1HB ASN 105 1.688 -17.764 -5.344 791 HB3 ASN 105 2HB ASN 105 1.882 -16.022 -5.169 792 HD21 ASN 105 1HD2 ASN 105 -0.229 -16.808 -3.983 793 HD22 ASN 105 2HD2 ASN 105 -1.677 -16.554 -4.890 794 H ALA 106 H ALA 106 3.450 -17.562 -9.218 795 HA ALA 106 HA ALA 106 2.529 -20.297 -9.099 796 HB1 ALA 106 1HB ALA 106 1.745 -20.020 -11.591 797 HB2 ALA 106 2HB ALA 106 0.646 -19.687 -10.252 798 HB3 ALA 106 3HB ALA 106 1.451 -18.357 -11.084 799 H VAL 107 H VAL 107 3.998 -21.647 -9.959 800 HA VAL 107 HA VAL 107 6.364 -20.473 -11.185 801 HB VAL 107 HB VAL 107 6.639 -22.099 -9.349 802 HG11 VAL 107 1HG1 VAL 107 4.739 -23.529 -9.753 803 HG12 VAL 107 2HG1 VAL 107 5.408 -24.037 -11.305 804 HG13 VAL 107 3HG1 VAL 107 6.215 -24.493 -9.804 805 HG21 VAL 107 1HG2 VAL 107 8.470 -23.223 -10.282 806 HG22 VAL 107 2HG2 VAL 107 7.711 -23.328 -11.871 807 HG23 VAL 107 3HG2 VAL 107 8.295 -21.775 -11.273 808 H TYR 108 H TYR 108 7.008 -20.786 -13.249 809 HA TYR 108 HA TYR 108 5.203 -21.358 -15.258 810 HB2 TYR 108 1HB TYR 108 7.046 -21.343 -16.775 811 HB3 TYR 108 2HB TYR 108 7.435 -20.201 -15.493 812 HD1 TYR 108 2HD TYR 108 8.262 -23.442 -16.989 813 HD2 TYR 108 1HD TYR 108 9.229 -20.653 -13.925 814 HE1 TYR 108 2HE TYR 108 10.386 -24.618 -16.597 815 HE2 TYR 108 1HE TYR 108 11.356 -21.821 -13.525 816 HH TYR 108 HH TYR 108 12.555 -24.235 -15.655 817 H ASP 109 H ASP 109 5.319 -23.132 -16.878 818 HA ASP 109 HA ASP 109 6.426 -25.652 -16.241 819 HB2 ASP 109 1HB ASP 109 4.566 -25.438 -14.510 820 HB3 ASP 109 2HB ASP 109 3.435 -25.545 -15.856 821 H VAL 110 H VAL 110 5.730 -27.348 -17.752 822 HA VAL 110 HA VAL 110 4.704 -26.172 -20.253 823 HB VAL 110 HB VAL 110 6.958 -26.830 -20.611 824 HG11 VAL 110 1HG1 VAL 110 7.336 -28.219 -18.693 825 HG12 VAL 110 2HG1 VAL 110 6.216 -29.441 -19.299 826 HG13 VAL 110 3HG1 VAL 110 7.739 -29.145 -20.138 827 HG21 VAL 110 1HG2 VAL 110 6.711 -28.167 -22.465 828 HG22 VAL 110 2HG2 VAL 110 5.561 -29.243 -21.672 829 HG23 VAL 110 3HG2 VAL 110 5.046 -27.644 -22.208 830 H VAL 111 H VAL 111 3.053 -27.143 -21.316 831 HA VAL 111 HA VAL 111 1.772 -29.410 -19.957 832 HB VAL 111 HB VAL 111 0.587 -27.495 -21.972 833 HG11 VAL 111 1HG1 VAL 111 -0.293 -29.964 -21.567 834 HG12 VAL 111 2HG1 VAL 111 -1.069 -29.189 -20.184 835 HG13 VAL 111 3HG1 VAL 111 -1.393 -28.609 -21.818 836 HG21 VAL 111 1HG2 VAL 111 0.994 -26.248 -20.010 837 HG22 VAL 111 2HG2 VAL 111 -0.707 -26.707 -19.938 838 HG23 VAL 111 3HG2 VAL 111 0.482 -27.575 -18.967 839 H GLU 112 H GLU 112 1.396 -31.312 -20.970 840 HA GLU 112 HA GLU 112 1.748 -31.538 -23.847 841 HB2 GLU 112 1HB GLU 112 3.460 -33.197 -23.769 842 HB3 GLU 112 2HB GLU 112 4.018 -31.835 -22.808 843 HG2 GLU 112 1HG GLU 112 2.742 -34.303 -21.658 844 HG3 GLU 112 2HG GLU 112 4.481 -34.057 -21.806 845 H GLU 113 H GLU 113 1.102 -33.663 -24.669 846 HA GLU 113 HA GLU 113 -0.172 -35.563 -22.978 847 HB2 GLU 113 1HB GLU 113 -2.466 -35.075 -24.222 848 HB3 GLU 113 2HB GLU 113 -2.052 -34.291 -22.704 849 HG2 GLU 113 1HG GLU 113 -1.254 -32.952 -25.228 850 HG3 GLU 113 2HG GLU 113 -2.957 -32.936 -24.774 851 H SER 114 H SER 114 0.523 -37.311 -24.022 852 HA SER 114 HA SER 114 0.795 -37.363 -26.891 853 HB2 SER 114 1HB SER 114 1.226 -39.503 -24.794 854 HB3 SER 114 2HB SER 114 1.587 -39.701 -26.508 855 HG SER 114 HG SER 114 2.747 -37.812 -24.736 856 H GLY 115 H GLY 115 -0.927 -37.635 -28.146 857 HA2 GLY 115 1HA GLY 115 -2.944 -39.626 -27.310 858 HA3 GLY 115 2HA GLY 115 -3.390 -38.107 -28.073 859 HA PRO 116 HA PRO 116 -2.895 -41.516 -31.269 860 HB2 PRO 116 1HB PRO 116 -5.443 -41.419 -32.202 861 HB3 PRO 116 2HB PRO 116 -4.951 -42.457 -30.858 862 HG2 PRO 116 1HG PRO 116 -6.305 -39.787 -30.793 863 HG3 PRO 116 2HG PRO 116 -6.644 -41.238 -29.830 864 HD2 PRO 116 1HD PRO 116 -5.219 -39.147 -28.864 865 HD3 PRO 116 2HD PRO 116 -4.912 -40.824 -28.367 866 H SER 117 H SER 117 -1.866 -40.675 -32.965 867 HA SER 117 HA SER 117 -2.104 -38.070 -33.911 868 HB2 SER 117 1HB SER 117 -0.930 -40.591 -35.000 869 HB3 SER 117 2HB SER 117 -1.103 -39.214 -36.087 870 HG SER 117 HG SER 117 0.839 -38.898 -35.178 871 H SER 118 H SER 118 -3.895 -37.178 -34.692 872 HA SER 118 HA SER 118 -5.866 -38.742 -36.114 873 HB2 SER 118 1HB SER 118 -7.112 -36.570 -36.215 874 HB3 SER 118 2HB SER 118 -6.677 -37.062 -34.578 875 HG SER 118 HG SER 118 -5.961 -35.055 -34.563 876 H GLY 119 H GLY 119 -6.727 -38.058 -38.214 877 HA2 GLY 119 1HA GLY 119 -6.487 -37.531 -40.437 878 HA3 GLY 119 2HA GLY 119 -5.322 -36.314 -39.937 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -1.543 26.354 -16.258 2 HA2 GLY 1 1HA GLY 1 -0.511 25.545 -18.502 3 HA3 GLY 1 2HA GLY 1 0.917 25.337 -17.499 4 H SER 2 H SER 2 -0.349 23.258 -18.929 5 HA SER 2 HA SER 2 -0.663 21.351 -16.825 6 HB2 SER 2 1HB SER 2 -2.965 20.615 -17.523 7 HB3 SER 2 2HB SER 2 -2.919 22.184 -16.718 8 HG SER 2 HG SER 2 -3.937 21.637 -19.070 9 H SER 3 H SER 3 0.526 19.747 -17.596 10 HA SER 3 HA SER 3 -0.148 18.353 -19.967 11 HB2 SER 3 1HB SER 3 1.070 20.429 -20.850 12 HB3 SER 3 2HB SER 3 2.527 19.738 -20.137 13 HG SER 3 HG SER 3 1.636 19.222 -22.486 14 H GLY 4 H GLY 4 1.081 16.423 -20.247 15 HA2 GLY 4 1HA GLY 4 3.324 15.774 -18.636 16 HA3 GLY 4 2HA GLY 4 1.854 15.155 -17.900 17 H SER 5 H SER 5 3.677 13.331 -18.547 18 HA SER 5 HA SER 5 3.336 12.324 -21.217 19 HB2 SER 5 1HB SER 5 4.771 10.513 -20.532 20 HB3 SER 5 2HB SER 5 5.420 12.004 -19.850 21 HG SER 5 HG SER 5 4.072 11.351 -17.933 22 H SER 6 H SER 6 2.416 10.258 -21.751 23 HA SER 6 HA SER 6 0.319 9.372 -19.883 24 HB2 SER 6 1HB SER 6 0.116 10.046 -22.799 25 HB3 SER 6 2HB SER 6 -0.958 8.830 -22.107 26 HG SER 6 HG SER 6 -2.092 10.560 -21.647 27 H GLY 7 H GLY 7 2.833 8.192 -20.010 28 HA2 GLY 7 1HA GLY 7 3.260 5.846 -19.789 29 HA3 GLY 7 2HA GLY 7 2.106 5.550 -21.080 30 H ASN 8 H ASN 8 4.915 4.680 -20.750 31 HA ASN 8 HA ASN 8 5.849 5.559 -23.379 32 HB2 ASN 8 1HB ASN 8 7.390 5.744 -20.804 33 HB3 ASN 8 2HB ASN 8 8.227 5.551 -22.342 34 HD21 ASN 8 1HD2 ASN 8 5.898 7.574 -20.635 35 HD22 ASN 8 2HD2 ASN 8 6.296 9.039 -21.460 36 H GLY 9 H GLY 9 7.274 4.076 -24.421 37 HA2 GLY 9 1HA GLY 9 8.446 2.017 -24.569 38 HA3 GLY 9 2HA GLY 9 7.609 1.467 -23.126 39 H GLY 10 H GLY 10 7.558 -0.412 -24.826 40 HA2 GLY 10 1HA GLY 10 5.233 -0.118 -26.596 41 HA3 GLY 10 2HA GLY 10 6.423 -1.409 -26.670 42 H ILE 11 H ILE 11 4.461 -2.759 -26.789 43 HA ILE 11 HA ILE 11 2.624 -2.989 -24.684 44 HB ILE 11 HB ILE 11 2.538 -5.474 -25.590 45 HG12 ILE 11 1HG1 ILE 11 3.724 -4.075 -27.978 46 HG13 ILE 11 2HG1 ILE 11 4.728 -4.997 -26.865 47 HG21 ILE 11 1HG2 ILE 11 1.167 -3.144 -26.085 48 HG22 ILE 11 2HG2 ILE 11 1.603 -3.699 -27.700 49 HG23 ILE 11 3HG2 ILE 11 0.692 -4.755 -26.621 50 HD11 ILE 11 1HD1 ILE 11 4.191 -6.408 -28.690 51 HD12 ILE 11 2HD1 ILE 11 3.247 -6.962 -27.306 52 HD13 ILE 11 3HD1 ILE 11 2.477 -6.010 -28.575 53 HA PRO 12 HA PRO 12 4.934 -4.920 -21.473 54 HB2 PRO 12 1HB PRO 12 2.895 -6.106 -20.130 55 HB3 PRO 12 2HB PRO 12 3.187 -4.363 -20.088 56 HG2 PRO 12 1HG PRO 12 1.222 -5.916 -21.728 57 HG3 PRO 12 2HG PRO 12 0.992 -4.388 -20.857 58 HD2 PRO 12 1HD PRO 12 1.415 -4.492 -23.529 59 HD3 PRO 12 2HD PRO 12 1.983 -3.143 -22.524 60 H HIS 13 H HIS 13 6.184 -6.647 -21.774 61 HA HIS 13 HA HIS 13 5.128 -9.028 -23.064 62 HB2 HIS 13 1HB HIS 13 7.431 -7.891 -23.508 63 HB3 HIS 13 2HB HIS 13 7.945 -8.755 -22.063 64 HD1 HIS 13 1HD HIS 13 8.650 -9.188 -25.271 65 HD2 HIS 13 2HD HIS 13 6.482 -11.634 -22.705 66 HE1 HIS 13 1HE HIS 13 8.768 -11.489 -26.277 67 HE2 HIS 13 2HE HIS 13 7.378 -12.935 -24.753 68 H ASP 14 H ASP 14 7.061 -8.389 -20.132 69 HA ASP 14 HA ASP 14 6.976 -10.828 -18.932 70 HB2 ASP 14 1HB ASP 14 6.861 -9.491 -16.721 71 HB3 ASP 14 2HB ASP 14 8.217 -9.196 -17.806 72 H ASN 15 H ASN 15 5.540 -12.076 -17.854 73 HA ASN 15 HA ASN 15 2.746 -11.456 -18.155 74 HB2 ASN 15 1HB ASN 15 2.402 -13.695 -17.118 75 HB3 ASN 15 2HB ASN 15 3.468 -13.738 -18.519 76 HD21 ASN 15 1HD2 ASN 15 4.836 -15.336 -18.139 77 HD22 ASN 15 2HD2 ASN 15 5.783 -15.529 -16.706 78 H LEU 16 H LEU 16 3.832 -9.538 -16.551 79 HA LEU 16 HA LEU 16 3.563 -10.147 -13.772 80 HB2 LEU 16 1HB LEU 16 4.020 -7.709 -15.402 81 HB3 LEU 16 2HB LEU 16 3.402 -7.495 -13.765 82 HG LEU 16 HG LEU 16 5.878 -9.107 -14.292 83 HD11 LEU 16 1HD1 LEU 16 6.102 -6.255 -13.502 84 HD12 LEU 16 2HD1 LEU 16 5.824 -6.624 -15.204 85 HD13 LEU 16 3HD1 LEU 16 7.236 -7.283 -14.378 86 HD21 LEU 16 1HD2 LEU 16 5.879 -9.313 -12.085 87 HD22 LEU 16 2HD2 LEU 16 4.348 -8.439 -12.012 88 HD23 LEU 16 3HD2 LEU 16 5.874 -7.560 -11.899 89 H VAL 17 H VAL 17 1.964 -9.289 -12.330 90 HA VAL 17 HA VAL 17 -0.693 -9.212 -13.561 91 HB VAL 17 HB VAL 17 0.010 -9.502 -10.638 92 HG11 VAL 17 1HG1 VAL 17 -2.280 -8.620 -11.307 93 HG12 VAL 17 2HG1 VAL 17 -2.576 -10.219 -11.991 94 HG13 VAL 17 3HG1 VAL 17 -2.248 -10.043 -10.266 95 HG21 VAL 17 1HG2 VAL 17 -0.976 -11.750 -12.336 96 HG22 VAL 17 2HG2 VAL 17 0.739 -11.339 -12.347 97 HG23 VAL 17 3HG2 VAL 17 -0.048 -11.798 -10.837 98 H LEU 18 H LEU 18 -2.046 -7.497 -13.401 99 HA LEU 18 HA LEU 18 -0.996 -5.102 -12.045 100 HB2 LEU 18 1HB LEU 18 -1.031 -4.672 -14.361 101 HB3 LEU 18 2HB LEU 18 -2.614 -5.422 -14.555 102 HG LEU 18 HG LEU 18 -3.451 -3.471 -13.070 103 HD11 LEU 18 1HD1 LEU 18 -0.978 -2.168 -14.178 104 HD12 LEU 18 2HD1 LEU 18 -1.096 -2.759 -12.521 105 HD13 LEU 18 3HD1 LEU 18 -2.175 -1.481 -13.079 106 HD21 LEU 18 1HD2 LEU 18 -3.847 -2.124 -15.022 107 HD22 LEU 18 2HD2 LEU 18 -3.952 -3.826 -15.472 108 HD23 LEU 18 3HD2 LEU 18 -2.510 -2.894 -15.875 109 H ILE 19 H ILE 19 -2.220 -4.126 -10.543 110 HA ILE 19 HA ILE 19 -4.869 -5.276 -10.008 111 HB ILE 19 HB ILE 19 -3.250 -3.544 -8.145 112 HG12 ILE 19 1HG1 ILE 19 -2.095 -5.701 -8.861 113 HG13 ILE 19 2HG1 ILE 19 -2.340 -5.485 -7.131 114 HG21 ILE 19 1HG2 ILE 19 -4.726 -4.249 -6.455 115 HG22 ILE 19 2HG2 ILE 19 -5.753 -3.859 -7.834 116 HG23 ILE 19 3HG2 ILE 19 -5.386 -5.542 -7.457 117 HD11 ILE 19 1HD1 ILE 19 -3.877 -7.161 -7.003 118 HD12 ILE 19 2HD1 ILE 19 -4.397 -6.965 -8.677 119 HD13 ILE 19 3HD1 ILE 19 -2.866 -7.762 -8.316 120 H ARG 20 H ARG 20 -6.636 -4.124 -10.402 121 HA ARG 20 HA ARG 20 -6.416 -1.191 -10.515 122 HB2 ARG 20 1HB ARG 20 -7.709 -3.072 -12.467 123 HB3 ARG 20 2HB ARG 20 -8.275 -1.414 -12.312 124 HG2 ARG 20 1HG ARG 20 -5.824 -0.753 -12.685 125 HG3 ARG 20 2HG ARG 20 -5.617 -2.409 -13.259 126 HD2 ARG 20 1HD ARG 20 -6.057 -0.957 -15.135 127 HD3 ARG 20 2HD ARG 20 -7.431 -2.034 -14.891 128 HE ARG 20 HE ARG 20 -8.081 0.215 -13.495 129 HH11 ARG 20 2HH1 ARG 20 -7.153 -0.450 -16.784 130 HH12 ARG 20 1HH1 ARG 20 -8.066 0.866 -17.445 131 HH21 ARG 20 2HH2 ARG 20 -9.286 1.951 -14.354 132 HH22 ARG 20 1HH2 ARG 20 -9.278 2.232 -16.062 133 H MET 21 H MET 21 -7.716 -0.232 -9.108 134 HA MET 21 HA MET 21 -10.397 -1.229 -8.650 135 HB2 MET 21 1HB MET 21 -10.184 -1.426 -6.251 136 HB3 MET 21 2HB MET 21 -9.004 -2.478 -7.020 137 HG2 MET 21 1HG MET 21 -8.186 0.268 -6.215 138 HG3 MET 21 2HG MET 21 -8.351 -0.980 -4.982 139 HE1 MET 21 1HE MET 21 -6.696 -3.376 -5.094 140 HE2 MET 21 2HE MET 21 -5.113 -2.611 -4.956 141 HE3 MET 21 3HE MET 21 -6.505 -1.915 -4.125 142 H LYS 22 H LYS 22 -11.685 0.272 -7.314 143 HA LYS 22 HA LYS 22 -10.712 3.032 -7.640 144 HB2 LYS 22 1HB LYS 22 -12.971 3.734 -7.927 145 HB3 LYS 22 2HB LYS 22 -12.741 2.326 -8.956 146 HG2 LYS 22 1HG LYS 22 -13.778 1.849 -6.225 147 HG3 LYS 22 2HG LYS 22 -14.860 2.624 -7.384 148 HD2 LYS 22 1HD LYS 22 -14.910 0.782 -8.770 149 HD3 LYS 22 2HD LYS 22 -13.350 0.182 -8.203 150 HE2 LYS 22 1HE LYS 22 -14.256 -0.842 -6.373 151 HE3 LYS 22 2HE LYS 22 -15.583 0.311 -6.249 152 HZ1 LYS 22 1HZ LYS 22 -15.561 -1.398 -8.606 153 HZ2 LYS 22 2HZ LYS 22 -16.862 -0.869 -7.664 154 HZ3 LYS 22 3HZ LYS 22 -15.903 -2.158 -7.133 155 HA PRO 23 HA PRO 23 -10.858 3.705 -3.303 156 HB2 PRO 23 1HB PRO 23 -11.518 6.337 -3.219 157 HB3 PRO 23 2HB PRO 23 -9.923 5.762 -3.718 158 HG2 PRO 23 1HG PRO 23 -12.240 6.621 -5.407 159 HG3 PRO 23 2HG PRO 23 -10.517 6.992 -5.599 160 HD2 PRO 23 1HD PRO 23 -11.767 5.081 -7.055 161 HD3 PRO 23 2HD PRO 23 -10.060 4.959 -6.583 162 H ASP 24 H ASP 24 -12.339 3.179 -1.832 163 HA ASP 24 HA ASP 24 -14.997 2.766 -2.240 164 HB2 ASP 24 1HB ASP 24 -13.618 2.136 -0.203 165 HB3 ASP 24 2HB ASP 24 -13.925 3.763 0.400 166 H GLU 25 H GLU 25 -16.876 3.924 -1.181 167 HA GLU 25 HA GLU 25 -17.378 6.333 -2.393 168 HB2 GLU 25 1HB GLU 25 -18.941 4.702 -1.075 169 HB3 GLU 25 2HB GLU 25 -18.593 5.760 0.285 170 HG2 GLU 25 1HG GLU 25 -20.692 6.266 -0.996 171 HG3 GLU 25 2HG GLU 25 -19.581 7.617 -0.772 172 H ASN 26 H ASN 26 -16.094 5.784 0.862 173 HA ASN 26 HA ASN 26 -15.875 8.622 1.379 174 HB2 ASN 26 1HB ASN 26 -15.271 6.130 2.935 175 HB3 ASN 26 2HB ASN 26 -14.609 7.674 3.463 176 HD21 ASN 26 1HD2 ASN 26 -16.440 9.471 3.235 177 HD22 ASN 26 2HD2 ASN 26 -17.901 9.062 4.062 178 H GLY 27 H GLY 27 -13.903 6.081 0.126 179 HA2 GLY 27 1HA GLY 27 -11.947 6.594 -1.155 180 HA3 GLY 27 2HA GLY 27 -11.681 7.992 -0.124 181 H ARG 28 H ARG 28 -12.168 4.511 0.482 182 HA ARG 28 HA ARG 28 -9.520 4.384 1.707 183 HB2 ARG 28 1HB ARG 28 -10.311 3.428 3.760 184 HB3 ARG 28 2HB ARG 28 -11.167 4.943 3.505 185 HG2 ARG 28 1HG ARG 28 -13.118 3.727 2.711 186 HG3 ARG 28 2HG ARG 28 -12.259 2.199 2.917 187 HD2 ARG 28 1HD ARG 28 -12.785 4.150 5.152 188 HD3 ARG 28 2HD ARG 28 -13.833 2.784 4.775 189 HE ARG 28 HE ARG 28 -11.061 2.104 5.220 190 HH11 ARG 28 2HH1 ARG 28 -14.211 2.526 6.642 191 HH12 ARG 28 1HH1 ARG 28 -13.874 1.513 8.006 192 HH21 ARG 28 2HH2 ARG 28 -10.606 0.768 7.012 193 HH22 ARG 28 1HH2 ARG 28 -11.823 0.514 8.216 194 H PHE 29 H PHE 29 -8.494 2.574 1.152 195 HA PHE 29 HA PHE 29 -9.915 0.554 -0.357 196 HB2 PHE 29 1HB PHE 29 -6.981 0.788 0.345 197 HB3 PHE 29 2HB PHE 29 -7.671 -0.389 -0.768 198 HD1 PHE 29 1HD PHE 29 -8.592 0.339 -2.927 199 HD2 PHE 29 2HD PHE 29 -6.608 3.045 -0.308 200 HE1 PHE 29 1HE PHE 29 -8.336 1.938 -4.779 201 HE2 PHE 29 2HE PHE 29 -6.349 4.649 -2.155 202 HZ PHE 29 HZ PHE 29 -7.214 4.097 -4.394 203 H GLY 30 H GLY 30 -8.805 -1.790 0.120 204 HA2 GLY 30 1HA GLY 30 -9.103 -2.281 3.015 205 HA3 GLY 30 2HA GLY 30 -9.978 -3.255 1.842 206 H PHE 31 H PHE 31 -6.634 -2.166 2.440 207 HA PHE 31 HA PHE 31 -5.686 -4.871 2.556 208 HB2 PHE 31 1HB PHE 31 -4.404 -4.968 0.592 209 HB3 PHE 31 2HB PHE 31 -5.937 -4.288 0.057 210 HD1 PHE 31 1HD PHE 31 -2.486 -3.375 1.057 211 HD2 PHE 31 2HD PHE 31 -6.011 -2.230 -1.037 212 HE1 PHE 31 1HE PHE 31 -1.291 -1.446 0.105 213 HE2 PHE 31 2HE PHE 31 -4.821 -0.301 -1.993 214 HZ PHE 31 HZ PHE 31 -2.458 0.093 -1.423 215 H ASN 32 H ASN 32 -3.968 -4.955 3.859 216 HA ASN 32 HA ASN 32 -2.682 -2.429 4.597 217 HB2 ASN 32 1HB ASN 32 -3.027 -5.075 5.963 218 HB3 ASN 32 2HB ASN 32 -1.715 -4.008 6.455 219 HD21 ASN 32 1HD2 ASN 32 -2.317 -1.805 7.072 220 HD22 ASN 32 2HD2 ASN 32 -3.829 -1.556 7.869 221 H VAL 33 H VAL 33 -0.306 -2.636 5.203 222 HA VAL 33 HA VAL 33 1.144 -4.507 3.479 223 HB VAL 33 HB VAL 33 2.593 -2.747 2.605 224 HG11 VAL 33 1HG1 VAL 33 1.027 -3.118 1.004 225 HG12 VAL 33 2HG1 VAL 33 -0.322 -2.756 2.082 226 HG13 VAL 33 3HG1 VAL 33 0.620 -1.443 1.375 227 HG21 VAL 33 1HG2 VAL 33 2.392 -1.159 4.448 228 HG22 VAL 33 2HG2 VAL 33 2.029 -0.385 2.905 229 HG23 VAL 33 3HG2 VAL 33 0.718 -0.835 3.996 230 H LYS 34 H LYS 34 3.424 -4.679 4.002 231 HA LYS 34 HA LYS 34 4.307 -3.505 6.509 232 HB2 LYS 34 1HB LYS 34 4.698 -5.545 7.652 233 HB3 LYS 34 2HB LYS 34 3.046 -5.633 7.055 234 HG2 LYS 34 1HG LYS 34 4.066 -6.881 5.049 235 HG3 LYS 34 2HG LYS 34 5.475 -7.088 6.092 236 HD2 LYS 34 1HD LYS 34 4.084 -8.174 7.774 237 HD3 LYS 34 2HD LYS 34 2.657 -7.936 6.763 238 HE2 LYS 34 1HE LYS 34 3.174 -10.077 6.175 239 HE3 LYS 34 2HE LYS 34 4.154 -9.213 4.991 240 HZ1 LYS 34 1HZ LYS 34 6.065 -9.458 6.442 241 HZ2 LYS 34 2HZ LYS 34 5.408 -10.971 6.073 242 HZ3 LYS 34 3HZ LYS 34 5.127 -10.275 7.589 243 H GLY 35 H GLY 35 6.462 -3.166 6.544 244 HA2 GLY 35 1HA GLY 35 8.703 -4.051 6.013 245 HA3 GLY 35 2HA GLY 35 8.062 -4.479 4.434 246 H GLY 36 H GLY 36 9.739 -3.271 3.437 247 HA2 GLY 36 1HA GLY 36 9.719 -1.218 2.090 248 HA3 GLY 36 2HA GLY 36 9.268 -0.356 3.553 249 H TYR 37 H TYR 37 11.349 0.619 2.187 250 HA TYR 37 HA TYR 37 13.887 -0.346 2.576 251 HB2 TYR 37 1HB TYR 37 13.068 1.816 1.393 252 HB3 TYR 37 2HB TYR 37 13.310 2.577 2.961 253 HD1 TYR 37 2HD TYR 37 14.964 1.002 0.094 254 HD2 TYR 37 1HD TYR 37 15.538 2.909 3.854 255 HE1 TYR 37 2HE TYR 37 17.353 1.282 -0.419 256 HE2 TYR 37 1HE TYR 37 17.928 3.195 3.351 257 HH TYR 37 HH TYR 37 19.493 3.090 1.722 258 H ASP 38 H ASP 38 11.738 1.077 4.912 259 HA ASP 38 HA ASP 38 13.506 1.819 6.918 260 HB2 ASP 38 1HB ASP 38 11.213 2.395 7.171 261 HB3 ASP 38 2HB ASP 38 10.703 0.714 7.048 262 H GLN 39 H GLN 39 12.354 -1.357 5.994 263 HA GLN 39 HA GLN 39 14.144 -2.528 8.021 264 HB2 GLN 39 1HB GLN 39 11.357 -3.232 7.256 265 HB3 GLN 39 2HB GLN 39 12.450 -4.556 7.636 266 HG2 GLN 39 1HG GLN 39 12.955 -3.046 9.748 267 HG3 GLN 39 2HG GLN 39 11.336 -2.445 9.392 268 HE21 GLN 39 1HE2 GLN 39 12.106 -3.870 11.717 269 HE22 GLN 39 2HE2 GLN 39 11.223 -5.355 11.740 270 H LYS 40 H LYS 40 14.729 -1.774 5.265 271 HA LYS 40 HA LYS 40 15.504 -2.639 3.277 272 HB2 LYS 40 1HB LYS 40 16.740 -4.571 5.248 273 HB3 LYS 40 2HB LYS 40 17.328 -4.239 3.624 274 HG2 LYS 40 1HG LYS 40 18.723 -2.922 4.860 275 HG3 LYS 40 2HG LYS 40 17.433 -1.772 4.498 276 HD2 LYS 40 1HD LYS 40 17.614 -1.432 6.748 277 HD3 LYS 40 2HD LYS 40 16.437 -2.748 6.752 278 HE2 LYS 40 1HE LYS 40 19.395 -3.250 6.919 279 HE3 LYS 40 2HE LYS 40 18.421 -2.930 8.353 280 HZ1 LYS 40 1HZ LYS 40 18.311 -5.189 8.268 281 HZ2 LYS 40 2HZ LYS 40 18.410 -5.262 6.581 282 HZ3 LYS 40 3HZ LYS 40 16.955 -4.821 7.325 283 H MET 41 H MET 41 12.914 -3.735 4.113 284 HA MET 41 HA MET 41 13.072 -6.322 2.713 285 HB2 MET 41 1HB MET 41 11.450 -7.265 4.111 286 HB3 MET 41 2HB MET 41 12.481 -6.369 5.217 287 HG2 MET 41 1HG MET 41 10.896 -4.641 5.454 288 HG3 MET 41 2HG MET 41 9.950 -5.223 4.086 289 HE1 MET 41 1HE MET 41 8.329 -8.408 5.292 290 HE2 MET 41 2HE MET 41 7.631 -6.902 4.695 291 HE3 MET 41 3HE MET 41 9.097 -7.548 3.956 292 HA PRO 42 HA PRO 42 10.219 -4.738 -0.225 293 HB2 PRO 42 1HB PRO 42 8.880 -6.996 -0.914 294 HB3 PRO 42 2HB PRO 42 10.548 -6.680 -1.407 295 HG2 PRO 42 1HG PRO 42 9.525 -8.375 0.839 296 HG3 PRO 42 2HG PRO 42 10.826 -8.716 -0.317 297 HD2 PRO 42 1HD PRO 42 11.307 -7.855 2.205 298 HD3 PRO 42 2HD PRO 42 12.357 -7.436 0.836 299 H VAL 43 H VAL 43 8.090 -4.073 -0.487 300 HA VAL 43 HA VAL 43 6.447 -4.237 1.900 301 HB VAL 43 HB VAL 43 5.916 -2.728 -0.663 302 HG11 VAL 43 1HG1 VAL 43 4.798 -1.785 1.883 303 HG12 VAL 43 2HG1 VAL 43 4.059 -1.886 0.283 304 HG13 VAL 43 3HG1 VAL 43 4.146 -3.319 1.308 305 HG21 VAL 43 1HG2 VAL 43 7.356 -1.942 1.856 306 HG22 VAL 43 2HG2 VAL 43 7.926 -1.841 0.190 307 HG23 VAL 43 3HG2 VAL 43 6.660 -0.752 0.756 308 H ILE 44 H ILE 44 5.321 -6.085 2.074 309 HA ILE 44 HA ILE 44 3.771 -6.974 -0.270 310 HB ILE 44 HB ILE 44 4.867 -8.597 2.025 311 HG12 ILE 44 1HG1 ILE 44 5.781 -9.868 -0.085 312 HG13 ILE 44 2HG1 ILE 44 5.496 -8.331 -0.892 313 HG21 ILE 44 1HG2 ILE 44 3.834 -10.538 0.811 314 HG22 ILE 44 2HG2 ILE 44 2.692 -9.453 1.603 315 HG23 ILE 44 3HG2 ILE 44 2.926 -9.365 -0.143 316 HD11 ILE 44 1HD1 ILE 44 6.960 -7.222 0.719 317 HD12 ILE 44 2HD1 ILE 44 7.255 -8.773 1.508 318 HD13 ILE 44 3HD1 ILE 44 7.792 -8.511 -0.151 319 H VAL 45 H VAL 45 1.620 -7.590 0.020 320 HA VAL 45 HA VAL 45 0.054 -6.091 1.721 321 HB VAL 45 HB VAL 45 -0.577 -8.771 0.480 322 HG11 VAL 45 1HG1 VAL 45 -2.110 -7.092 2.306 323 HG12 VAL 45 2HG1 VAL 45 -2.963 -7.454 0.804 324 HG13 VAL 45 3HG1 VAL 45 -2.367 -8.767 1.820 325 HG21 VAL 45 1HG2 VAL 45 -1.916 -6.449 -0.606 326 HG22 VAL 45 2HG2 VAL 45 -0.162 -6.281 -0.685 327 HG23 VAL 45 3HG2 VAL 45 -0.948 -7.676 -1.424 328 H SER 46 H SER 46 -0.578 -6.221 3.786 329 HA SER 46 HA SER 46 0.553 -8.318 5.442 330 HB2 SER 46 1HB SER 46 0.678 -5.965 6.177 331 HB3 SER 46 2HB SER 46 -1.083 -5.889 6.217 332 HG SER 46 HG SER 46 -0.789 -6.511 8.211 333 H ARG 47 H ARG 47 -2.690 -6.837 5.248 334 HA ARG 47 HA ARG 47 -3.894 -9.490 5.334 335 HB2 ARG 47 1HB ARG 47 -3.650 -8.772 7.697 336 HB3 ARG 47 2HB ARG 47 -4.608 -7.342 7.337 337 HG2 ARG 47 1HG ARG 47 -6.563 -8.501 7.243 338 HG3 ARG 47 2HG ARG 47 -5.784 -9.986 6.692 339 HD2 ARG 47 1HD ARG 47 -6.278 -10.607 8.826 340 HD3 ARG 47 2HD ARG 47 -4.701 -9.871 9.107 341 HE ARG 47 HE ARG 47 -6.452 -7.816 9.429 342 HH11 ARG 47 2HH1 ARG 47 -6.150 -10.997 10.811 343 HH12 ARG 47 1HH1 ARG 47 -6.854 -10.547 12.328 344 HH21 ARG 47 2HH2 ARG 47 -7.381 -7.211 11.423 345 HH22 ARG 47 1HH2 ARG 47 -7.555 -8.394 12.675 346 H VAL 48 H VAL 48 -6.255 -9.409 4.944 347 HA VAL 48 HA VAL 48 -7.145 -6.963 3.589 348 HB VAL 48 HB VAL 48 -7.408 -9.719 2.380 349 HG11 VAL 48 1HG1 VAL 48 -9.284 -8.395 1.765 350 HG12 VAL 48 2HG1 VAL 48 -8.267 -6.988 1.446 351 HG13 VAL 48 3HG1 VAL 48 -8.182 -8.398 0.389 352 HG21 VAL 48 1HG2 VAL 48 -5.901 -8.747 0.609 353 HG22 VAL 48 2HG2 VAL 48 -5.568 -7.426 1.729 354 HG23 VAL 48 3HG2 VAL 48 -5.133 -9.080 2.161 355 H ALA 49 H ALA 49 -9.446 -6.801 3.334 356 HA ALA 49 HA ALA 49 -11.016 -8.675 4.964 357 HB1 ALA 49 1HB ALA 49 -11.084 -7.104 6.562 358 HB2 ALA 49 2HB ALA 49 -10.561 -5.824 5.467 359 HB3 ALA 49 3HB ALA 49 -12.255 -6.314 5.506 360 HA PRO 50 HA PRO 50 -13.855 -8.595 1.609 361 HB2 PRO 50 1HB PRO 50 -16.144 -9.248 2.914 362 HB3 PRO 50 2HB PRO 50 -14.855 -10.414 2.594 363 HG2 PRO 50 1HG PRO 50 -15.452 -8.892 5.102 364 HG3 PRO 50 2HG PRO 50 -15.000 -10.596 4.908 365 HD2 PRO 50 1HD PRO 50 -13.225 -8.693 5.657 366 HD3 PRO 50 2HD PRO 50 -12.759 -10.106 4.688 367 H GLY 51 H GLY 51 -15.828 -7.545 0.827 368 HA2 GLY 51 1HA GLY 51 -17.368 -5.815 0.710 369 HA3 GLY 51 2HA GLY 51 -16.950 -5.374 2.360 370 H THR 52 H THR 52 -14.058 -5.574 0.956 371 HA THR 52 HA THR 52 -13.973 -2.696 0.452 372 HB THR 52 HB THR 52 -11.576 -2.852 0.661 373 HG1 THR 52 1HG THR 52 -11.737 -5.632 1.136 374 HG21 THR 52 1HG2 THR 52 -11.648 -2.971 2.897 375 HG22 THR 52 2HG2 THR 52 -12.139 -4.665 2.872 376 HG23 THR 52 3HG2 THR 52 -13.349 -3.394 2.704 377 HA PRO 53 HA PRO 53 -13.581 -3.047 -3.909 378 HB2 PRO 53 1HB PRO 53 -11.982 -0.920 -4.445 379 HB3 PRO 53 2HB PRO 53 -13.677 -0.753 -3.974 380 HG2 PRO 53 1HG PRO 53 -11.211 -0.471 -2.302 381 HG3 PRO 53 2HG PRO 53 -12.669 0.538 -2.323 382 HD2 PRO 53 1HD PRO 53 -12.230 -1.350 -0.432 383 HD3 PRO 53 2HD PRO 53 -13.858 -0.934 -1.006 384 H ALA 54 H ALA 54 -11.144 -3.833 -1.853 385 HA ALA 54 HA ALA 54 -9.187 -4.293 -4.002 386 HB1 ALA 54 1HB ALA 54 -7.960 -4.919 -1.589 387 HB2 ALA 54 2HB ALA 54 -7.742 -3.449 -2.538 388 HB3 ALA 54 3HB ALA 54 -8.934 -3.491 -1.239 389 H ASP 55 H ASP 55 -11.289 -5.837 -1.736 390 HA ASP 55 HA ASP 55 -10.048 -8.447 -2.156 391 HB2 ASP 55 1HB ASP 55 -11.007 -7.499 0.100 392 HB3 ASP 55 2HB ASP 55 -12.547 -8.050 -0.555 393 H LEU 56 H LEU 56 -12.437 -6.516 -3.525 394 HA LEU 56 HA LEU 56 -13.906 -8.831 -4.583 395 HB2 LEU 56 1HB LEU 56 -14.625 -5.905 -4.667 396 HB3 LEU 56 2HB LEU 56 -15.624 -7.235 -5.249 397 HG LEU 56 HG LEU 56 -14.806 -6.964 -2.365 398 HD11 LEU 56 1HD1 LEU 56 -16.623 -5.317 -3.844 399 HD12 LEU 56 2HD1 LEU 56 -16.190 -5.248 -2.136 400 HD13 LEU 56 3HD1 LEU 56 -17.513 -6.285 -2.668 401 HD21 LEU 56 1HD2 LEU 56 -16.186 -8.708 -1.953 402 HD22 LEU 56 2HD2 LEU 56 -15.811 -9.101 -3.631 403 HD23 LEU 56 3HD2 LEU 56 -17.313 -8.264 -3.236 404 H CYS 57 H CYS 57 -12.081 -5.969 -5.515 405 HA CYS 57 HA CYS 57 -12.492 -5.975 -8.253 406 HB2 CYS 57 1HB CYS 57 -10.418 -4.752 -8.444 407 HB3 CYS 57 2HB CYS 57 -11.245 -4.233 -6.981 408 HG CYS 57 HG CYS 57 -8.810 -6.612 -6.837 409 H VAL 58 H VAL 58 -10.731 -6.536 -9.903 410 HA VAL 58 HA VAL 58 -9.398 -9.070 -9.288 411 HB VAL 58 HB VAL 58 -11.205 -8.696 -11.681 412 HG11 VAL 58 1HG1 VAL 58 -9.937 -11.277 -10.860 413 HG12 VAL 58 2HG1 VAL 58 -10.558 -10.786 -12.437 414 HG13 VAL 58 3HG1 VAL 58 -9.039 -10.118 -11.839 415 HG21 VAL 58 1HG2 VAL 58 -12.235 -10.809 -10.417 416 HG22 VAL 58 2HG2 VAL 58 -11.591 -9.943 -9.022 417 HG23 VAL 58 3HG2 VAL 58 -12.757 -9.157 -10.086 418 HA PRO 59 HA PRO 59 -8.011 -10.431 -10.061 419 HB2 PRO 59 1HB PRO 59 -5.373 -10.467 -9.424 420 HB3 PRO 59 2HB PRO 59 -5.984 -10.943 -11.013 421 HG2 PRO 59 1HG PRO 59 -4.774 -8.344 -10.148 422 HG3 PRO 59 2HG PRO 59 -4.494 -9.269 -11.635 423 HD2 PRO 59 1HD PRO 59 -6.125 -7.109 -11.547 424 HD3 PRO 59 2HD PRO 59 -6.416 -8.482 -12.635 425 H ARG 60 H ARG 60 -8.487 -10.740 -7.973 426 HA ARG 60 HA ARG 60 -8.642 -8.697 -6.108 427 HB2 ARG 60 1HB ARG 60 -9.873 -10.839 -5.959 428 HB3 ARG 60 2HB ARG 60 -8.372 -11.654 -5.540 429 HG2 ARG 60 1HG ARG 60 -8.214 -10.444 -3.481 430 HG3 ARG 60 2HG ARG 60 -9.590 -9.430 -3.921 431 HD2 ARG 60 1HD ARG 60 -10.601 -10.961 -2.538 432 HD3 ARG 60 2HD ARG 60 -10.833 -11.725 -4.110 433 HE ARG 60 HE ARG 60 -8.431 -12.534 -2.738 434 HH11 ARG 60 2HH1 ARG 60 -11.825 -13.145 -3.218 435 HH12 ARG 60 1HH1 ARG 60 -11.729 -14.804 -2.728 436 HH21 ARG 60 2HH2 ARG 60 -8.292 -14.717 -2.090 437 HH22 ARG 60 1HH2 ARG 60 -9.720 -15.697 -2.086 438 H LEU 61 H LEU 61 -7.411 -8.103 -4.317 439 HA LEU 61 HA LEU 61 -4.565 -8.767 -4.545 440 HB2 LEU 61 1HB LEU 61 -5.199 -6.399 -4.652 441 HB3 LEU 61 2HB LEU 61 -5.927 -6.529 -3.052 442 HG LEU 61 HG LEU 61 -3.538 -7.222 -2.302 443 HD11 LEU 61 1HD1 LEU 61 -1.737 -6.558 -3.609 444 HD12 LEU 61 2HD1 LEU 61 -2.737 -5.548 -4.652 445 HD13 LEU 61 3HD1 LEU 61 -2.827 -7.305 -4.777 446 HD21 LEU 61 1HD2 LEU 61 -2.930 -4.729 -2.214 447 HD22 LEU 61 2HD2 LEU 61 -4.419 -5.250 -1.426 448 HD23 LEU 61 3HD2 LEU 61 -4.484 -4.465 -3.005 449 H ASN 62 H ASN 62 -4.160 -10.552 -3.365 450 HA ASN 62 HA ASN 62 -5.168 -10.634 -0.601 451 HB2 ASN 62 1HB ASN 62 -4.370 -12.831 -2.507 452 HB3 ASN 62 2HB ASN 62 -4.559 -13.112 -0.779 453 HD21 ASN 62 1HD2 ASN 62 -6.729 -11.620 -0.158 454 HD22 ASN 62 2HD2 ASN 62 -8.121 -12.211 -0.993 455 H GLU 63 H GLU 63 -3.661 -11.846 0.923 456 HA GLU 63 HA GLU 63 -1.317 -10.441 1.290 457 HB2 GLU 63 1HB GLU 63 -1.925 -13.258 2.208 458 HB3 GLU 63 2HB GLU 63 -0.658 -12.227 2.859 459 HG2 GLU 63 1HG GLU 63 -2.228 -10.725 3.790 460 HG3 GLU 63 2HG GLU 63 -3.562 -11.465 2.907 461 H GLY 64 H GLY 64 0.868 -10.846 0.909 462 HA2 GLY 64 1HA GLY 64 2.664 -12.184 0.061 463 HA3 GLY 64 2HA GLY 64 1.501 -13.054 -0.929 464 H ASP 65 H ASP 65 0.148 -10.942 -2.111 465 HA ASP 65 HA ASP 65 1.649 -10.389 -4.345 466 HB2 ASP 65 1HB ASP 65 -0.518 -8.608 -3.212 467 HB3 ASP 65 2HB ASP 65 0.010 -8.676 -4.891 468 H GLN 66 H GLN 66 3.715 -9.674 -3.985 469 HA GLN 66 HA GLN 66 4.316 -7.471 -2.269 470 HB2 GLN 66 1HB GLN 66 5.989 -9.172 -2.639 471 HB3 GLN 66 2HB GLN 66 5.957 -8.886 -4.374 472 HG2 GLN 66 1HG GLN 66 6.665 -6.476 -3.729 473 HG3 GLN 66 2HG GLN 66 7.145 -7.219 -2.204 474 HE21 GLN 66 1HE2 GLN 66 8.601 -6.020 -4.592 475 HE22 GLN 66 2HE2 GLN 66 9.809 -7.197 -4.970 476 H VAL 67 H VAL 67 4.272 -5.364 -2.700 477 HA VAL 67 HA VAL 67 3.372 -4.436 -5.263 478 HB VAL 67 HB VAL 67 4.292 -2.823 -2.880 479 HG11 VAL 67 1HG1 VAL 67 3.731 -2.020 -5.497 480 HG12 VAL 67 2HG1 VAL 67 2.303 -1.588 -4.554 481 HG13 VAL 67 3HG1 VAL 67 3.892 -0.991 -4.073 482 HG21 VAL 67 1HG2 VAL 67 1.985 -2.670 -2.238 483 HG22 VAL 67 2HG2 VAL 67 1.478 -3.565 -3.671 484 HG23 VAL 67 3HG2 VAL 67 2.403 -4.375 -2.407 485 H VAL 68 H VAL 68 4.763 -4.405 -6.913 486 HA VAL 68 HA VAL 68 7.582 -3.963 -6.538 487 HB VAL 68 HB VAL 68 6.016 -4.120 -9.117 488 HG11 VAL 68 1HG1 VAL 68 8.499 -5.016 -9.690 489 HG12 VAL 68 2HG1 VAL 68 7.975 -3.347 -9.918 490 HG13 VAL 68 3HG1 VAL 68 8.868 -3.801 -8.466 491 HG21 VAL 68 1HG2 VAL 68 7.560 -6.448 -8.630 492 HG22 VAL 68 2HG2 VAL 68 6.587 -6.133 -7.193 493 HG23 VAL 68 3HG2 VAL 68 5.808 -6.303 -8.765 494 H LEU 69 H LEU 69 4.886 -2.166 -7.981 495 HA LEU 69 HA LEU 69 6.323 0.319 -7.521 496 HB2 LEU 69 1HB LEU 69 5.326 -0.498 -10.246 497 HB3 LEU 69 2HB LEU 69 5.887 1.117 -9.819 498 HG LEU 69 HG LEU 69 7.663 -1.297 -9.591 499 HD11 LEU 69 1HD1 LEU 69 7.048 -1.329 -11.867 500 HD12 LEU 69 2HD1 LEU 69 8.601 -0.496 -11.799 501 HD13 LEU 69 3HD1 LEU 69 7.112 0.430 -11.989 502 HD21 LEU 69 1HD2 LEU 69 8.157 0.943 -8.457 503 HD22 LEU 69 2HD2 LEU 69 8.428 1.562 -10.087 504 HD23 LEU 69 3HD2 LEU 69 9.420 0.241 -9.469 505 H ILE 70 H ILE 70 4.912 2.234 -7.964 506 HA ILE 70 HA ILE 70 2.065 1.570 -7.598 507 HB ILE 70 HB ILE 70 3.718 3.601 -6.113 508 HG12 ILE 70 1HG1 ILE 70 1.871 1.370 -5.237 509 HG13 ILE 70 2HG1 ILE 70 3.629 1.371 -5.134 510 HG21 ILE 70 1HG2 ILE 70 0.708 3.431 -6.206 511 HG22 ILE 70 2HG2 ILE 70 1.659 4.504 -5.180 512 HG23 ILE 70 3HG2 ILE 70 1.689 4.704 -6.932 513 HD11 ILE 70 1HD1 ILE 70 2.992 1.875 -2.980 514 HD12 ILE 70 2HD1 ILE 70 3.289 3.474 -3.665 515 HD13 ILE 70 3HD1 ILE 70 1.637 2.876 -3.502 516 H ASN 71 H ASN 71 0.985 2.250 -9.321 517 HA ASN 71 HA ASN 71 0.314 3.486 -11.113 518 HB2 ASN 71 1HB ASN 71 1.064 5.541 -9.067 519 HB3 ASN 71 2HB ASN 71 0.607 6.065 -10.685 520 HD21 ASN 71 1HD2 ASN 71 -0.471 4.888 -7.671 521 HD22 ASN 71 2HD2 ASN 71 -2.161 4.852 -8.030 522 H GLY 72 H GLY 72 2.860 2.390 -11.396 523 HA2 GLY 72 1HA GLY 72 4.452 2.526 -13.089 524 HA3 GLY 72 2HA GLY 72 3.945 4.180 -13.397 525 H ARG 73 H ARG 73 4.256 5.103 -10.693 526 HA ARG 73 HA ARG 73 7.081 5.635 -10.762 527 HB2 ARG 73 1HB ARG 73 6.659 7.181 -8.964 528 HB3 ARG 73 2HB ARG 73 5.386 7.358 -10.165 529 HG2 ARG 73 1HG ARG 73 3.775 6.517 -8.788 530 HG3 ARG 73 2HG ARG 73 4.913 5.514 -7.886 531 HD2 ARG 73 1HD ARG 73 4.671 8.516 -7.712 532 HD3 ARG 73 2HD ARG 73 4.067 7.361 -6.525 533 HE ARG 73 HE ARG 73 6.885 7.127 -7.053 534 HH11 ARG 73 2HH1 ARG 73 4.441 8.728 -5.160 535 HH12 ARG 73 1HH1 ARG 73 5.518 9.117 -3.859 536 HH21 ARG 73 2HH2 ARG 73 8.313 7.633 -5.347 537 HH22 ARG 73 1HH2 ARG 73 7.720 8.495 -3.967 538 H ASP 74 H ASP 74 8.508 5.348 -8.926 539 HA ASP 74 HA ASP 74 8.038 2.772 -7.624 540 HB2 ASP 74 1HB ASP 74 10.386 2.645 -7.281 541 HB3 ASP 74 2HB ASP 74 10.168 3.273 -8.912 542 H ILE 75 H ILE 75 8.275 2.467 -5.391 543 HA ILE 75 HA ILE 75 8.283 4.913 -3.756 544 HB ILE 75 HB ILE 75 6.589 3.852 -2.267 545 HG12 ILE 75 1HG1 ILE 75 5.162 2.077 -3.538 546 HG13 ILE 75 2HG1 ILE 75 6.632 1.810 -4.469 547 HG21 ILE 75 1HG2 ILE 75 5.285 4.036 -4.926 548 HG22 ILE 75 2HG2 ILE 75 4.854 4.800 -3.397 549 HG23 ILE 75 3HG2 ILE 75 6.192 5.436 -4.355 550 HD11 ILE 75 1HD1 ILE 75 7.767 0.938 -2.671 551 HD12 ILE 75 2HD1 ILE 75 6.733 1.744 -1.491 552 HD13 ILE 75 3HD1 ILE 75 6.128 0.352 -2.389 553 H ALA 76 H ALA 76 10.231 2.672 -4.417 554 HA ALA 76 HA ALA 76 10.591 1.166 -2.023 555 HB1 ALA 76 1HB ALA 76 11.726 0.008 -3.555 556 HB2 ALA 76 2HB ALA 76 11.908 1.412 -4.607 557 HB3 ALA 76 3HB ALA 76 13.037 1.154 -3.277 558 H GLU 77 H GLU 77 11.699 4.271 -3.165 559 HA GLU 77 HA GLU 77 13.813 4.591 -1.286 560 HB2 GLU 77 1HB GLU 77 13.835 5.916 -3.288 561 HB3 GLU 77 2HB GLU 77 12.248 6.581 -2.930 562 HG2 GLU 77 1HG GLU 77 13.557 8.319 -2.282 563 HG3 GLU 77 2HG GLU 77 13.457 7.435 -0.760 564 H HIS 78 H HIS 78 10.376 5.198 -1.233 565 HA HIS 78 HA HIS 78 10.449 6.786 1.166 566 HB2 HIS 78 1HB HIS 78 8.310 5.675 -0.599 567 HB3 HIS 78 2HB HIS 78 7.878 6.170 1.035 568 HD1 HIS 78 1HD HIS 78 6.981 7.573 -1.697 569 HD2 HIS 78 2HD HIS 78 9.922 8.889 0.926 570 HE1 HIS 78 1HE HIS 78 7.190 10.045 -2.107 571 HE2 HIS 78 2HE HIS 78 9.035 10.804 -0.570 572 H THR 79 H THR 79 8.917 6.048 3.011 573 HA THR 79 HA THR 79 9.710 3.310 3.748 574 HB THR 79 HB THR 79 9.371 4.038 6.105 575 HG1 THR 79 1HG THR 79 9.385 6.713 5.229 576 HG21 THR 79 1HG2 THR 79 11.479 4.953 6.304 577 HG22 THR 79 2HG2 THR 79 11.281 5.986 4.888 578 HG23 THR 79 3HG2 THR 79 11.568 4.258 4.687 579 H HIS 80 H HIS 80 8.201 2.119 5.148 580 HA HIS 80 HA HIS 80 5.796 1.571 4.087 581 HB2 HIS 80 1HB HIS 80 6.462 0.153 5.822 582 HB3 HIS 80 2HB HIS 80 6.701 1.485 6.949 583 HD1 HIS 80 1HD HIS 80 4.566 -1.228 6.565 584 HD2 HIS 80 2HD HIS 80 3.893 2.810 7.277 585 HE1 HIS 80 1HE HIS 80 2.266 -1.097 7.573 586 HE2 HIS 80 2HE HIS 80 1.847 1.363 7.916 587 H ASP 81 H ASP 81 6.316 4.007 6.626 588 HA ASP 81 HA ASP 81 3.717 4.854 6.992 589 HB2 ASP 81 1HB ASP 81 6.378 6.187 7.239 590 HB3 ASP 81 2HB ASP 81 4.930 7.183 7.352 591 H GLN 82 H GLN 82 6.089 6.393 4.812 592 HA GLN 82 HA GLN 82 4.398 8.189 3.582 593 HB2 GLN 82 1HB GLN 82 6.865 6.760 2.659 594 HB3 GLN 82 2HB GLN 82 5.987 7.799 1.545 595 HG2 GLN 82 1HG GLN 82 6.443 9.714 2.769 596 HG3 GLN 82 2HG GLN 82 6.816 8.807 4.234 597 HE21 GLN 82 1HE2 GLN 82 8.368 10.844 2.816 598 HE22 GLN 82 2HE2 GLN 82 9.887 10.109 2.446 599 H VAL 83 H VAL 83 5.384 5.090 2.113 600 HA VAL 83 HA VAL 83 3.811 4.907 -0.034 601 HB VAL 83 HB VAL 83 4.239 2.721 2.003 602 HG11 VAL 83 1HG1 VAL 83 3.335 2.392 -0.853 603 HG12 VAL 83 2HG1 VAL 83 3.547 1.127 0.358 604 HG13 VAL 83 3HG1 VAL 83 2.257 2.315 0.540 605 HG21 VAL 83 1HG2 VAL 83 6.245 3.720 0.910 606 HG22 VAL 83 2HG2 VAL 83 6.026 2.003 0.577 607 HG23 VAL 83 3HG2 VAL 83 5.597 3.199 -0.645 608 H VAL 84 H VAL 84 2.636 3.735 3.128 609 HA VAL 84 HA VAL 84 0.016 3.252 2.463 610 HB VAL 84 HB VAL 84 1.056 4.365 5.072 611 HG11 VAL 84 1HG1 VAL 84 -1.209 2.755 5.491 612 HG12 VAL 84 2HG1 VAL 84 -1.059 4.496 5.737 613 HG13 VAL 84 3HG1 VAL 84 -1.624 3.868 4.188 614 HG21 VAL 84 1HG2 VAL 84 1.193 2.097 5.811 615 HG22 VAL 84 2HG2 VAL 84 0.432 1.510 4.332 616 HG23 VAL 84 3HG2 VAL 84 2.049 2.212 4.274 617 H LEU 85 H LEU 85 1.455 6.330 3.474 618 HA LEU 85 HA LEU 85 -0.944 7.813 3.513 619 HB2 LEU 85 1HB LEU 85 1.954 8.442 3.443 620 HB3 LEU 85 2HB LEU 85 0.834 9.727 2.998 621 HG LEU 85 HG LEU 85 1.529 9.823 5.362 622 HD11 LEU 85 1HD1 LEU 85 -0.427 10.905 5.374 623 HD12 LEU 85 2HD1 LEU 85 -1.062 9.450 6.143 624 HD13 LEU 85 3HD1 LEU 85 -1.225 9.669 4.400 625 HD21 LEU 85 1HD2 LEU 85 1.859 7.735 6.201 626 HD22 LEU 85 2HD2 LEU 85 0.504 7.039 5.311 627 HD23 LEU 85 3HD2 LEU 85 0.208 7.997 6.763 628 H PHE 86 H PHE 86 1.477 7.276 0.985 629 HA PHE 86 HA PHE 86 0.403 9.021 -0.931 630 HB2 PHE 86 1HB PHE 86 2.658 8.012 -1.083 631 HB3 PHE 86 2HB PHE 86 1.920 6.447 -1.406 632 HD1 PHE 86 1HD PHE 86 1.228 9.869 -2.716 633 HD2 PHE 86 2HD PHE 86 2.347 5.855 -3.583 634 HE1 PHE 86 1HE PHE 86 1.200 10.384 -5.122 635 HE2 PHE 86 2HE PHE 86 2.322 6.364 -5.990 636 HZ PHE 86 HZ PHE 86 1.749 8.631 -6.762 637 H ILE 87 H ILE 87 0.005 5.490 -0.631 638 HA ILE 87 HA ILE 87 -1.763 5.063 -2.696 639 HB ILE 87 HB ILE 87 -1.773 3.703 0.001 640 HG12 ILE 87 1HG1 ILE 87 -0.538 2.647 -2.528 641 HG13 ILE 87 2HG1 ILE 87 0.360 3.736 -1.476 642 HG21 ILE 87 1HG2 ILE 87 -3.724 3.515 -1.872 643 HG22 ILE 87 2HG2 ILE 87 -2.638 2.223 -2.382 644 HG23 ILE 87 3HG2 ILE 87 -3.295 2.227 -0.746 645 HD11 ILE 87 1HD1 ILE 87 0.905 1.422 -1.012 646 HD12 ILE 87 2HD1 ILE 87 0.095 2.161 0.370 647 HD13 ILE 87 3HD1 ILE 87 -0.793 1.070 -0.693 648 H LYS 88 H LYS 88 -2.636 5.705 0.703 649 HA LYS 88 HA LYS 88 -5.403 5.855 0.295 650 HB2 LYS 88 1HB LYS 88 -5.542 6.789 2.477 651 HB3 LYS 88 2HB LYS 88 -4.199 5.655 2.505 652 HG2 LYS 88 1HG LYS 88 -2.603 7.395 2.478 653 HG3 LYS 88 2HG LYS 88 -3.822 8.604 2.069 654 HD2 LYS 88 1HD LYS 88 -3.341 8.872 4.378 655 HD3 LYS 88 2HD LYS 88 -4.916 8.083 4.279 656 HE2 LYS 88 1HE LYS 88 -2.495 6.367 4.462 657 HE3 LYS 88 2HE LYS 88 -3.016 7.223 5.913 658 HZ1 LYS 88 1HZ LYS 88 -4.098 5.172 5.989 659 HZ2 LYS 88 2HZ LYS 88 -4.503 5.203 4.347 660 HZ3 LYS 88 3HZ LYS 88 -5.286 6.239 5.431 661 H ALA 89 H ALA 89 -2.867 8.226 -0.113 662 HA ALA 89 HA ALA 89 -4.378 10.569 -0.174 663 HB1 ALA 89 1HB ALA 89 -1.717 9.760 -0.917 664 HB2 ALA 89 2HB ALA 89 -2.373 10.905 -2.087 665 HB3 ALA 89 3HB ALA 89 -2.303 11.334 -0.377 666 H SER 90 H SER 90 -3.877 8.105 -2.619 667 HA SER 90 HA SER 90 -4.659 9.350 -4.925 668 HB2 SER 90 1HB SER 90 -4.005 6.876 -4.502 669 HB3 SER 90 2HB SER 90 -5.733 6.620 -4.259 670 HG SER 90 HG SER 90 -6.080 7.436 -6.355 671 H CYS 91 H CYS 91 -6.719 8.161 -2.321 672 HA CYS 91 HA CYS 91 -9.199 8.519 -3.584 673 HB2 CYS 91 1HB CYS 91 -8.508 8.698 -0.643 674 HB3 CYS 91 2HB CYS 91 -10.136 8.548 -1.292 675 HG CYS 91 HG CYS 91 -8.271 6.170 -0.331 676 H GLU 92 H GLU 92 -7.268 10.715 -1.579 677 HA GLU 92 HA GLU 92 -8.846 12.822 -1.117 678 HB2 GLU 92 1HB GLU 92 -6.058 12.929 -2.275 679 HB3 GLU 92 2HB GLU 92 -6.887 14.316 -1.583 680 HG2 GLU 92 1HG GLU 92 -7.111 12.918 0.532 681 HG3 GLU 92 2HG GLU 92 -5.930 11.835 -0.201 682 H ARG 93 H ARG 93 -7.507 11.999 -4.281 683 HA ARG 93 HA ARG 93 -9.240 14.057 -5.481 684 HB2 ARG 93 1HB ARG 93 -7.695 13.964 -7.432 685 HB3 ARG 93 2HB ARG 93 -6.926 14.524 -5.953 686 HG2 ARG 93 1HG ARG 93 -6.772 11.630 -6.591 687 HG3 ARG 93 2HG ARG 93 -5.785 12.749 -7.533 688 HD2 ARG 93 1HD ARG 93 -5.800 12.950 -4.555 689 HD3 ARG 93 2HD ARG 93 -4.855 11.680 -5.331 690 HE ARG 93 HE ARG 93 -4.373 14.284 -6.432 691 HH11 ARG 93 2HH1 ARG 93 -3.523 12.065 -3.888 692 HH12 ARG 93 1HH1 ARG 93 -1.958 12.761 -3.626 693 HH21 ARG 93 2HH2 ARG 93 -2.316 15.210 -6.096 694 HH22 ARG 93 1HH2 ARG 93 -1.273 14.551 -4.882 695 H HIS 94 H HIS 94 -10.651 13.497 -7.076 696 HA HIS 94 HA HIS 94 -11.536 10.824 -7.216 697 HB2 HIS 94 1HB HIS 94 -13.033 12.726 -7.603 698 HB3 HIS 94 2HB HIS 94 -12.140 13.143 -9.063 699 HD1 HIS 94 1HD HIS 94 -14.516 10.567 -7.702 700 HD2 HIS 94 2HD HIS 94 -12.808 11.685 -11.321 701 HE1 HIS 94 1HE HIS 94 -15.752 9.262 -9.460 702 HE2 HIS 94 2HE HIS 94 -14.644 9.890 -11.633 703 H SER 95 H SER 95 -9.990 12.842 -9.720 704 HA SER 95 HA SER 95 -9.626 10.673 -11.520 705 HB2 SER 95 1HB SER 95 -9.746 12.961 -12.345 706 HB3 SER 95 2HB SER 95 -8.305 13.396 -11.426 707 HG SER 95 HG SER 95 -7.090 12.495 -12.900 708 H GLY 96 H GLY 96 -8.158 9.111 -11.458 709 HA2 GLY 96 1HA GLY 96 -5.602 8.893 -11.382 710 HA3 GLY 96 2HA GLY 96 -5.794 9.489 -9.740 711 H GLU 97 H GLU 97 -7.126 6.945 -11.855 712 HA GLU 97 HA GLU 97 -8.086 5.232 -9.934 713 HB2 GLU 97 1HB GLU 97 -6.692 4.468 -12.507 714 HB3 GLU 97 2HB GLU 97 -7.736 3.415 -11.562 715 HG2 GLU 97 1HG GLU 97 -9.156 4.146 -13.211 716 HG3 GLU 97 2HG GLU 97 -9.505 5.274 -11.902 717 H LEU 98 H LEU 98 -7.211 3.209 -9.092 718 HA LEU 98 HA LEU 98 -4.489 3.596 -8.132 719 HB2 LEU 98 1HB LEU 98 -6.646 2.889 -6.786 720 HB3 LEU 98 2HB LEU 98 -6.171 1.278 -7.320 721 HG LEU 98 HG LEU 98 -5.368 1.765 -5.063 722 HD11 LEU 98 1HD1 LEU 98 -2.827 1.810 -6.528 723 HD12 LEU 98 2HD1 LEU 98 -3.981 0.595 -7.077 724 HD13 LEU 98 3HD1 LEU 98 -3.466 0.623 -5.391 725 HD21 LEU 98 1HD2 LEU 98 -4.309 3.645 -4.464 726 HD22 LEU 98 2HD2 LEU 98 -4.958 4.307 -5.964 727 HD23 LEU 98 3HD2 LEU 98 -3.315 3.666 -5.921 728 H MET 99 H MET 99 -2.828 2.672 -9.117 729 HA MET 99 HA MET 99 -3.250 0.090 -10.469 730 HB2 MET 99 1HB MET 99 -1.902 2.569 -11.433 731 HB3 MET 99 2HB MET 99 -1.231 1.018 -11.921 732 HG2 MET 99 1HG MET 99 -3.611 0.437 -12.662 733 HG3 MET 99 2HG MET 99 -3.929 2.165 -12.522 734 HE1 MET 99 1HE MET 99 -4.417 1.860 -15.685 735 HE2 MET 99 2HE MET 99 -3.355 0.566 -16.240 736 HE3 MET 99 3HE MET 99 -4.364 0.328 -14.812 737 H LEU 100 H LEU 100 -2.114 -1.473 -9.545 738 HA LEU 100 HA LEU 100 0.499 -0.806 -8.360 739 HB2 LEU 100 1HB LEU 100 -1.375 -2.917 -7.318 740 HB3 LEU 100 2HB LEU 100 0.114 -2.337 -6.574 741 HG LEU 100 HG LEU 100 -2.349 -0.636 -6.929 742 HD11 LEU 100 1HD1 LEU 100 -2.312 -2.801 -5.342 743 HD12 LEU 100 2HD1 LEU 100 -3.182 -1.319 -4.948 744 HD13 LEU 100 3HD1 LEU 100 -1.589 -1.616 -4.254 745 HD21 LEU 100 1HD2 LEU 100 -0.787 0.932 -6.518 746 HD22 LEU 100 2HD2 LEU 100 0.358 -0.231 -5.848 747 HD23 LEU 100 3HD2 LEU 100 -0.961 0.385 -4.850 748 H LEU 101 H LEU 101 2.171 -2.018 -9.004 749 HA LEU 101 HA LEU 101 1.608 -4.271 -10.796 750 HB2 LEU 101 1HB LEU 101 3.046 -2.297 -11.500 751 HB3 LEU 101 2HB LEU 101 4.259 -2.916 -10.383 752 HG LEU 101 HG LEU 101 4.183 -5.073 -11.721 753 HD11 LEU 101 1HD1 LEU 101 3.004 -3.382 -13.894 754 HD12 LEU 101 2HD1 LEU 101 1.981 -4.345 -12.829 755 HD13 LEU 101 3HD1 LEU 101 3.202 -5.133 -13.828 756 HD21 LEU 101 1HD2 LEU 101 5.123 -3.078 -13.636 757 HD22 LEU 101 2HD2 LEU 101 6.010 -4.344 -12.787 758 HD23 LEU 101 3HD2 LEU 101 5.690 -2.804 -11.988 759 H VAL 102 H VAL 102 1.481 -6.120 -9.677 760 HA VAL 102 HA VAL 102 3.498 -6.645 -7.599 761 HB VAL 102 HB VAL 102 1.989 -8.420 -6.797 762 HG11 VAL 102 1HG1 VAL 102 1.726 -6.420 -5.631 763 HG12 VAL 102 2HG1 VAL 102 0.974 -5.607 -7.005 764 HG13 VAL 102 3HG1 VAL 102 0.081 -6.837 -6.110 765 HG21 VAL 102 1HG2 VAL 102 -0.449 -7.726 -8.008 766 HG22 VAL 102 2HG2 VAL 102 0.711 -7.942 -9.320 767 HG23 VAL 102 3HG2 VAL 102 0.438 -9.243 -8.160 768 H ARG 103 H ARG 103 4.541 -8.684 -7.530 769 HA ARG 103 HA ARG 103 4.973 -9.820 -10.175 770 HB2 ARG 103 1HB ARG 103 6.455 -9.804 -7.596 771 HB3 ARG 103 2HB ARG 103 6.699 -11.185 -8.657 772 HG2 ARG 103 1HG ARG 103 6.905 -8.470 -9.838 773 HG3 ARG 103 2HG ARG 103 8.214 -9.031 -8.796 774 HD2 ARG 103 1HD ARG 103 7.145 -10.555 -11.167 775 HD3 ARG 103 2HD ARG 103 8.564 -9.510 -11.214 776 HE ARG 103 HE ARG 103 8.641 -11.595 -9.213 777 HH11 ARG 103 2HH1 ARG 103 9.438 -10.656 -12.469 778 HH12 ARG 103 1HH1 ARG 103 10.686 -11.845 -12.646 779 HH21 ARG 103 2HH2 ARG 103 10.282 -13.164 -9.433 780 HH22 ARG 103 1HH2 ARG 103 11.164 -13.272 -10.919 781 HA PRO 104 HA PRO 104 2.248 -13.216 -9.306 782 HB2 PRO 104 1HB PRO 104 2.843 -14.660 -11.527 783 HB3 PRO 104 2HB PRO 104 1.807 -13.228 -11.561 784 HG2 PRO 104 1HG PRO 104 4.707 -13.486 -12.259 785 HG3 PRO 104 2HG PRO 104 3.428 -12.593 -13.103 786 HD2 PRO 104 1HD PRO 104 5.211 -11.383 -11.464 787 HD3 PRO 104 2HD PRO 104 3.542 -10.808 -11.651 788 H ASN 105 H ASN 105 2.535 -14.979 -8.089 789 HA ASN 105 HA ASN 105 5.201 -16.225 -8.057 790 HB2 ASN 105 1HB ASN 105 4.668 -16.963 -5.775 791 HB3 ASN 105 2HB ASN 105 4.544 -15.212 -5.922 792 HD21 ASN 105 1HD2 ASN 105 2.495 -14.245 -5.921 793 HD22 ASN 105 2HD2 ASN 105 1.111 -15.067 -5.292 794 H ALA 106 H ALA 106 4.433 -17.431 -9.983 795 HA ALA 106 HA ALA 106 3.776 -19.380 -10.958 796 HB1 ALA 106 1HB ALA 106 3.908 -21.333 -9.722 797 HB2 ALA 106 2HB ALA 106 4.906 -20.221 -8.785 798 HB3 ALA 106 3HB ALA 106 3.259 -20.577 -8.266 799 H VAL 107 H VAL 107 1.815 -17.302 -10.214 800 HA VAL 107 HA VAL 107 -0.600 -18.475 -9.345 801 HB VAL 107 HB VAL 107 -0.232 -16.042 -11.098 802 HG11 VAL 107 1HG1 VAL 107 -2.579 -17.328 -9.873 803 HG12 VAL 107 2HG1 VAL 107 -2.469 -15.580 -9.660 804 HG13 VAL 107 3HG1 VAL 107 -2.466 -16.274 -11.281 805 HG21 VAL 107 1HG2 VAL 107 0.735 -15.152 -9.296 806 HG22 VAL 107 2HG2 VAL 107 -0.856 -15.210 -8.537 807 HG23 VAL 107 3HG2 VAL 107 0.290 -16.525 -8.283 808 H TYR 108 H TYR 108 -2.371 -19.247 -10.469 809 HA TYR 108 HA TYR 108 -1.921 -19.834 -13.323 810 HB2 TYR 108 1HB TYR 108 -3.286 -21.916 -12.917 811 HB3 TYR 108 2HB TYR 108 -1.703 -21.901 -12.147 812 HD1 TYR 108 1HD TYR 108 -1.695 -21.005 -9.662 813 HD2 TYR 108 2HD TYR 108 -5.121 -22.547 -11.660 814 HE1 TYR 108 1HE TYR 108 -2.744 -21.475 -7.488 815 HE2 TYR 108 2HE TYR 108 -6.180 -23.019 -9.491 816 HH TYR 108 HH TYR 108 -5.465 -23.434 -7.146 817 H ASP 109 H ASP 109 -4.026 -20.387 -14.466 818 HA ASP 109 HA ASP 109 -5.676 -18.286 -14.733 819 HB2 ASP 109 1HB ASP 109 -5.727 -20.366 -16.120 820 HB3 ASP 109 2HB ASP 109 -6.669 -21.140 -14.848 821 H VAL 110 H VAL 110 -6.556 -17.134 -13.130 822 HA VAL 110 HA VAL 110 -7.790 -18.477 -10.857 823 HB VAL 110 HB VAL 110 -7.347 -15.540 -11.407 824 HG11 VAL 110 1HG1 VAL 110 -8.923 -16.943 -9.378 825 HG12 VAL 110 2HG1 VAL 110 -7.776 -15.772 -8.723 826 HG13 VAL 110 3HG1 VAL 110 -8.985 -15.260 -9.901 827 HG21 VAL 110 1HG2 VAL 110 -5.239 -16.282 -10.939 828 HG22 VAL 110 2HG2 VAL 110 -5.821 -16.011 -9.297 829 HG23 VAL 110 3HG2 VAL 110 -5.810 -17.640 -9.971 830 H VAL 111 H VAL 111 -9.769 -19.245 -11.322 831 HA VAL 111 HA VAL 111 -11.668 -17.447 -12.681 832 HB VAL 111 HB VAL 111 -11.769 -20.458 -12.437 833 HG11 VAL 111 1HG1 VAL 111 -13.564 -19.935 -14.319 834 HG12 VAL 111 2HG1 VAL 111 -13.988 -19.970 -12.607 835 HG13 VAL 111 3HG1 VAL 111 -13.701 -18.428 -13.414 836 HG21 VAL 111 1HG2 VAL 111 -11.027 -18.625 -14.704 837 HG22 VAL 111 2HG2 VAL 111 -10.065 -19.917 -13.985 838 HG23 VAL 111 3HG2 VAL 111 -11.489 -20.310 -14.949 839 H GLU 112 H GLU 112 -12.189 -16.339 -10.736 840 HA GLU 112 HA GLU 112 -13.929 -17.902 -8.947 841 HB2 GLU 112 1HB GLU 112 -11.780 -15.937 -8.284 842 HB3 GLU 112 2HB GLU 112 -13.201 -16.008 -7.251 843 HG2 GLU 112 1HG GLU 112 -12.794 -18.300 -6.728 844 HG3 GLU 112 2HG GLU 112 -11.505 -18.397 -7.926 845 H GLU 113 H GLU 113 -15.589 -16.595 -7.845 846 HA GLU 113 HA GLU 113 -16.226 -13.976 -8.735 847 HB2 GLU 113 1HB GLU 113 -16.775 -15.284 -10.789 848 HB3 GLU 113 2HB GLU 113 -17.959 -16.186 -9.852 849 HG2 GLU 113 1HG GLU 113 -19.124 -14.515 -11.063 850 HG3 GLU 113 2HG GLU 113 -19.110 -14.028 -9.368 851 H SER 114 H SER 114 -16.874 -13.281 -6.800 852 HA SER 114 HA SER 114 -19.162 -14.618 -5.552 853 HB2 SER 114 1HB SER 114 -16.556 -13.941 -4.189 854 HB3 SER 114 2HB SER 114 -18.054 -14.187 -3.292 855 HG SER 114 HG SER 114 -17.708 -16.240 -3.463 856 H GLY 115 H GLY 115 -20.503 -13.264 -4.323 857 HA2 GLY 115 1HA GLY 115 -19.839 -10.396 -4.361 858 HA3 GLY 115 2HA GLY 115 -21.364 -10.942 -5.042 859 HA PRO 116 HA PRO 116 -21.536 -11.726 -0.254 860 HB2 PRO 116 1HB PRO 116 -19.664 -10.414 1.210 861 HB3 PRO 116 2HB PRO 116 -19.428 -12.055 0.597 862 HG2 PRO 116 1HG PRO 116 -18.433 -9.457 -0.510 863 HG3 PRO 116 2HG PRO 116 -17.578 -11.001 -0.339 864 HD2 PRO 116 1HD PRO 116 -18.631 -10.172 -2.692 865 HD3 PRO 116 2HD PRO 116 -18.536 -11.886 -2.240 866 H SER 117 H SER 117 -21.583 -10.005 1.766 867 HA SER 117 HA SER 117 -22.100 -7.301 0.951 868 HB2 SER 117 1HB SER 117 -24.331 -9.243 1.292 869 HB3 SER 117 2HB SER 117 -24.556 -7.626 1.959 870 HG SER 117 HG SER 117 -25.189 -7.317 -0.059 871 H SER 118 H SER 118 -23.173 -6.077 2.857 872 HA SER 118 HA SER 118 -22.708 -7.218 5.467 873 HB2 SER 118 1HB SER 118 -20.998 -5.679 6.178 874 HB3 SER 118 2HB SER 118 -20.435 -6.461 4.701 875 HG SER 118 HG SER 118 -20.643 -3.890 5.150 876 H GLY 119 H GLY 119 -23.306 -5.707 7.216 877 HA2 GLY 119 1HA GLY 119 -24.939 -4.375 8.142 878 HA3 GLY 119 2HA GLY 119 -24.393 -3.201 6.954
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