NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
459808 | 1ufn | 10065 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 6.290 0.666 -20.885 2 HA2 GLY 1 1HA GLY 1 8.670 -0.824 -21.299 3 HA3 GLY 1 2HA GLY 1 8.023 0.408 -22.373 4 H SER 2 H SER 2 10.533 0.569 -22.479 5 HA SER 2 HA SER 2 12.112 1.633 -20.509 6 HB2 SER 2 1HB SER 2 12.084 1.940 -23.485 7 HB3 SER 2 2HB SER 2 13.191 2.934 -22.538 8 HG SER 2 HG SER 2 13.710 0.583 -23.329 9 H SER 3 H SER 3 10.120 3.472 -22.818 10 HA SER 3 HA SER 3 10.408 5.830 -21.086 11 HB2 SER 3 1HB SER 3 11.119 6.225 -23.376 12 HB3 SER 3 2HB SER 3 9.582 5.616 -23.991 13 HG SER 3 HG SER 3 9.198 7.722 -23.941 14 H GLY 4 H GLY 4 8.753 6.363 -19.833 15 HA2 GLY 4 1HA GLY 4 6.027 6.090 -20.786 16 HA3 GLY 4 2HA GLY 4 6.437 5.067 -19.417 17 H SER 5 H SER 5 7.612 6.343 -17.602 18 HA SER 5 HA SER 5 6.327 8.971 -17.276 19 HB2 SER 5 1HB SER 5 5.005 7.446 -15.970 20 HB3 SER 5 2HB SER 5 6.446 6.715 -15.264 21 HG SER 5 HG SER 5 5.220 8.398 -14.015 22 H SER 6 H SER 6 7.614 10.549 -16.538 23 HA SER 6 HA SER 6 10.321 9.791 -15.659 24 HB2 SER 6 1HB SER 6 11.032 12.020 -16.475 25 HB3 SER 6 2HB SER 6 10.327 11.037 -17.758 26 HG SER 6 HG SER 6 9.571 13.444 -16.924 27 H GLY 7 H GLY 7 11.230 10.775 -13.865 28 HA2 GLY 7 1HA GLY 7 10.950 12.776 -12.319 29 HA3 GLY 7 2HA GLY 7 9.300 12.195 -12.141 30 H ASN 8 H ASN 8 12.577 11.830 -11.162 31 HA ASN 8 HA ASN 8 12.654 9.323 -10.031 32 HB2 ASN 8 1HB ASN 8 13.867 11.917 -9.069 33 HB3 ASN 8 2HB ASN 8 14.237 10.356 -8.342 34 HD21 ASN 8 1HD2 ASN 8 16.041 12.161 -9.652 35 HD22 ASN 8 2HD2 ASN 8 16.713 11.312 -10.998 36 H ASP 9 H ASP 9 11.978 12.268 -8.136 37 HA ASP 9 HA ASP 9 10.279 10.628 -6.377 38 HB2 ASP 9 1HB ASP 9 10.764 12.198 -4.600 39 HB3 ASP 9 2HB ASP 9 12.280 11.655 -5.313 40 H ALA 10 H ALA 10 9.836 12.416 -8.930 41 HA ALA 10 HA ALA 10 7.904 14.337 -7.972 42 HB1 ALA 10 1HB ALA 10 8.617 15.285 -9.861 43 HB2 ALA 10 2HB ALA 10 9.252 13.762 -10.484 44 HB3 ALA 10 3HB ALA 10 7.547 14.159 -10.697 45 H VAL 11 H VAL 11 7.613 11.291 -7.695 46 HA VAL 11 HA VAL 11 5.532 10.340 -9.274 47 HB VAL 11 HB VAL 11 6.778 8.878 -7.782 48 HG11 VAL 11 1HG1 VAL 11 7.194 10.205 -5.881 49 HG12 VAL 11 2HG1 VAL 11 5.475 10.507 -5.617 50 HG13 VAL 11 3HG1 VAL 11 6.145 8.902 -5.323 51 HG21 VAL 11 1HG2 VAL 11 4.452 8.305 -8.507 52 HG22 VAL 11 2HG2 VAL 11 4.974 7.508 -7.023 53 HG23 VAL 11 3HG2 VAL 11 3.884 8.892 -6.944 54 H ASP 12 H ASP 12 5.454 12.370 -6.404 55 HA ASP 12 HA ASP 12 2.845 12.266 -5.623 56 HB2 ASP 12 1HB ASP 12 4.713 13.725 -4.690 57 HB3 ASP 12 2HB ASP 12 4.300 14.889 -5.945 58 H PHE 13 H PHE 13 4.076 13.456 -8.615 59 HA PHE 13 HA PHE 13 1.828 15.067 -9.321 60 HB2 PHE 13 1HB PHE 13 4.207 15.158 -10.294 61 HB3 PHE 13 2HB PHE 13 3.719 13.787 -11.285 62 HD1 PHE 13 HD1 PHE 13 2.639 17.235 -10.384 63 HD2 PHE 13 HD2 PHE 13 2.737 14.169 -13.335 64 HE1 PHE 13 HE1 PHE 13 1.637 18.779 -12.016 65 HE2 PHE 13 HE2 PHE 13 1.736 15.709 -14.972 66 HZ PHE 13 HZ PHE 13 1.186 18.017 -14.314 67 H SER 14 H SER 14 2.874 11.785 -10.197 68 HA SER 14 HA SER 14 0.614 11.230 -11.824 69 HB2 SER 14 1HB SER 14 1.378 8.869 -11.675 70 HB3 SER 14 2HB SER 14 2.680 9.976 -12.107 71 HG SER 14 HG SER 14 2.423 9.636 -9.411 72 HA PRO 15 HA PRO 15 -2.464 10.297 -8.827 73 HB2 PRO 15 1HB PRO 15 -4.000 8.587 -10.271 74 HB3 PRO 15 2HB PRO 15 -3.962 10.329 -10.568 75 HG2 PRO 15 1HG PRO 15 -2.532 8.131 -12.011 76 HG3 PRO 15 2HG PRO 15 -3.369 9.546 -12.676 77 HD2 PRO 15 1HD PRO 15 -0.676 9.436 -12.412 78 HD3 PRO 15 2HD PRO 15 -1.589 10.950 -12.259 79 H THR 16 H THR 16 -0.090 8.190 -9.707 80 HA THR 16 HA THR 16 -1.140 6.059 -7.961 81 HB THR 16 HB THR 16 0.454 4.528 -9.163 82 HG1 THR 16 HG1 THR 16 1.850 5.768 -10.260 83 HG21 THR 16 1HG2 THR 16 -1.333 3.889 -10.333 84 HG22 THR 16 2HG2 THR 16 -1.181 5.282 -11.404 85 HG23 THR 16 3HG2 THR 16 -2.104 5.417 -9.908 86 H LEU 17 H LEU 17 0.172 5.253 -6.360 87 HA LEU 17 HA LEU 17 2.845 6.436 -6.073 88 HB2 LEU 17 1HB LEU 17 0.878 6.162 -3.802 89 HB3 LEU 17 2HB LEU 17 2.478 6.875 -3.729 90 HG LEU 17 HG LEU 17 0.184 8.002 -5.336 91 HD11 LEU 17 1HD1 LEU 17 0.072 7.981 -2.730 92 HD12 LEU 17 2HD1 LEU 17 1.276 9.262 -2.863 93 HD13 LEU 17 3HD1 LEU 17 -0.303 9.455 -3.622 94 HD21 LEU 17 1HD2 LEU 17 1.913 9.006 -6.370 95 HD22 LEU 17 2HD2 LEU 17 1.928 10.026 -4.932 96 HD23 LEU 17 3HD2 LEU 17 3.037 8.661 -5.056 97 HA PRO 18 HA PRO 18 4.029 2.261 -5.301 98 HB2 PRO 18 1HB PRO 18 6.447 2.740 -4.163 99 HB3 PRO 18 2HB PRO 18 6.148 2.919 -5.896 100 HG2 PRO 18 1HG PRO 18 6.237 5.017 -3.763 101 HG3 PRO 18 2HG PRO 18 6.926 5.052 -5.396 102 HD2 PRO 18 1HD PRO 18 4.598 6.285 -4.770 103 HD3 PRO 18 2HD PRO 18 4.907 5.585 -6.372 104 H VAL 19 H VAL 19 3.132 1.071 -3.743 105 HA VAL 19 HA VAL 19 3.580 1.863 -0.938 106 HB VAL 19 HB VAL 19 1.414 0.854 -0.367 107 HG11 VAL 19 1HG1 VAL 19 -0.014 2.600 -1.305 108 HG12 VAL 19 2HG1 VAL 19 1.547 3.254 -0.806 109 HG13 VAL 19 3HG1 VAL 19 1.217 2.964 -2.514 110 HG21 VAL 19 1HG2 VAL 19 -0.183 0.329 -2.195 111 HG22 VAL 19 2HG2 VAL 19 1.138 0.503 -3.350 112 HG23 VAL 19 3HG2 VAL 19 1.196 -0.769 -2.131 113 H THR 20 H THR 20 3.961 0.221 0.556 114 HA THR 20 HA THR 20 4.196 -2.517 -0.445 115 HB THR 20 HB THR 20 6.449 -2.708 0.702 116 HG1 THR 20 HG1 THR 20 6.255 0.134 0.559 117 HG21 THR 20 1HG2 THR 20 5.765 -1.772 -1.888 118 HG22 THR 20 2HG2 THR 20 7.201 -2.669 -1.393 119 HG23 THR 20 3HG2 THR 20 7.210 -0.906 -1.369 120 H CYS 21 H CYS 21 3.598 -4.005 1.017 121 HA CYS 21 HA CYS 21 3.459 -3.213 3.845 122 HB2 CYS 21 1HB CYS 21 1.216 -3.125 2.608 123 HB3 CYS 21 2HB CYS 21 1.323 -4.880 2.525 124 HG CYS 21 HG CYS 21 1.527 -3.277 5.525 125 H GLY 22 H GLY 22 4.923 -4.473 4.809 126 HA2 GLY 22 1HA GLY 22 6.036 -6.353 5.510 127 HA3 GLY 22 2HA GLY 22 4.567 -7.230 5.109 128 H LYS 23 H LYS 23 4.652 -8.661 3.501 129 HA LYS 23 HA LYS 23 7.061 -8.672 1.815 130 HB2 LYS 23 1HB LYS 23 6.581 -11.062 1.455 131 HB3 LYS 23 2HB LYS 23 6.782 -10.680 3.160 132 HG2 LYS 23 1HG LYS 23 4.182 -10.461 3.123 133 HG3 LYS 23 2HG LYS 23 4.320 -11.449 1.666 134 HD2 LYS 23 1HD LYS 23 5.675 -12.232 4.229 135 HD3 LYS 23 2HD LYS 23 3.989 -12.649 3.913 136 HE2 LYS 23 1HE LYS 23 5.210 -14.518 3.200 137 HE3 LYS 23 2HE LYS 23 4.823 -13.644 1.718 138 HZ1 LYS 23 1HZ LYS 23 7.380 -14.217 2.886 139 HZ2 LYS 23 2HZ LYS 23 7.204 -12.586 2.477 140 HZ3 LYS 23 3HZ LYS 23 6.992 -13.780 1.298 141 H ALA 24 H ALA 24 4.366 -7.235 1.491 142 HA ALA 24 HA ALA 24 3.751 -8.262 -1.204 143 HB1 ALA 24 1HB ALA 24 2.019 -7.853 0.945 144 HB2 ALA 24 2HB ALA 24 1.713 -6.512 -0.160 145 HB3 ALA 24 3HB ALA 24 1.581 -8.175 -0.734 146 H LYS 25 H LYS 25 3.352 -6.737 -2.866 147 HA LYS 25 HA LYS 25 4.079 -3.957 -2.322 148 HB2 LYS 25 1HB LYS 25 5.365 -5.540 -4.550 149 HB3 LYS 25 2HB LYS 25 5.705 -3.874 -4.099 150 HG2 LYS 25 1HG LYS 25 6.839 -4.502 -2.162 151 HG3 LYS 25 2HG LYS 25 6.142 -6.124 -2.171 152 HD2 LYS 25 1HD LYS 25 8.366 -6.402 -2.890 153 HD3 LYS 25 2HD LYS 25 7.392 -6.477 -4.360 154 HE2 LYS 25 1HE LYS 25 7.867 -3.910 -4.453 155 HE3 LYS 25 2HE LYS 25 9.216 -4.317 -3.394 156 HZ1 LYS 25 1HZ LYS 25 10.065 -5.815 -5.039 157 HZ2 LYS 25 2HZ LYS 25 9.808 -4.312 -5.769 158 HZ3 LYS 25 3HZ LYS 25 8.718 -5.578 -6.035 159 H GLY 26 H GLY 26 2.969 -2.507 -3.526 160 HA2 GLY 26 1HA GLY 26 1.714 -3.299 -6.020 161 HA3 GLY 26 2HA GLY 26 0.600 -2.967 -4.702 162 H THR 27 H THR 27 -0.309 -1.211 -5.807 163 HA THR 27 HA THR 27 1.184 1.257 -5.485 164 HB THR 27 HB THR 27 0.046 0.494 -8.182 165 HG1 THR 27 HG1 THR 27 2.082 -0.479 -7.736 166 HG21 THR 27 1HG2 THR 27 1.056 3.046 -7.023 167 HG22 THR 27 2HG2 THR 27 -0.260 2.768 -8.163 168 HG23 THR 27 3HG2 THR 27 1.414 2.692 -8.713 169 H LEU 28 H LEU 28 -0.109 2.827 -4.759 170 HA LEU 28 HA LEU 28 -2.971 2.321 -4.637 171 HB2 LEU 28 1HB LEU 28 -2.063 3.012 -2.577 172 HB3 LEU 28 2HB LEU 28 -1.138 4.303 -3.320 173 HG LEU 28 HG LEU 28 -3.584 5.181 -3.931 174 HD11 LEU 28 1HD1 LEU 28 -4.283 4.283 -1.235 175 HD12 LEU 28 2HD1 LEU 28 -5.278 4.420 -2.684 176 HD13 LEU 28 3HD1 LEU 28 -4.259 3.001 -2.446 177 HD21 LEU 28 1HD2 LEU 28 -1.578 5.948 -2.257 178 HD22 LEU 28 2HD2 LEU 28 -3.074 6.844 -2.518 179 HD23 LEU 28 3HD2 LEU 28 -2.926 5.759 -1.136 180 H PHE 29 H PHE 29 -4.494 3.407 -5.744 181 HA PHE 29 HA PHE 29 -3.574 5.526 -7.571 182 HB2 PHE 29 1HB PHE 29 -5.836 3.541 -7.848 183 HB3 PHE 29 2HB PHE 29 -5.589 4.897 -8.943 184 HD1 PHE 29 HD2 PHE 29 -3.425 2.256 -7.426 185 HD2 PHE 29 HD1 PHE 29 -4.678 4.292 -10.948 186 HE1 PHE 29 HE2 PHE 29 -1.879 0.887 -8.764 187 HE2 PHE 29 HE1 PHE 29 -3.134 2.926 -12.291 188 HZ PHE 29 HZ PHE 29 -1.731 1.222 -11.199 189 H GLN 30 H GLN 30 -3.985 7.401 -6.542 190 HA GLN 30 HA GLN 30 -5.854 8.021 -4.668 191 HB2 GLN 30 1HB GLN 30 -5.312 9.997 -6.857 192 HB3 GLN 30 2HB GLN 30 -5.470 10.275 -5.128 193 HG2 GLN 30 1HG GLN 30 -3.311 8.881 -4.935 194 HG3 GLN 30 2HG GLN 30 -3.137 9.205 -6.658 195 HE21 GLN 30 1HE2 GLN 30 -2.623 10.359 -3.541 196 HE22 GLN 30 2HE2 GLN 30 -2.147 11.970 -3.943 197 H GLU 31 H GLU 31 -6.337 7.867 -8.156 198 HA GLU 31 HA GLU 31 -8.912 8.981 -8.246 199 HB2 GLU 31 1HB GLU 31 -9.123 7.876 -10.422 200 HB3 GLU 31 2HB GLU 31 -7.553 8.647 -10.250 201 HG2 GLU 31 1HG GLU 31 -6.498 6.535 -9.826 202 HG3 GLU 31 2HG GLU 31 -8.060 5.716 -9.803 203 H LYS 32 H LYS 32 -7.825 5.638 -7.828 204 HA LYS 32 HA LYS 32 -10.537 4.653 -7.615 205 HB2 LYS 32 1HB LYS 32 -7.811 3.440 -7.588 206 HB3 LYS 32 2HB LYS 32 -9.130 2.534 -6.857 207 HG2 LYS 32 1HG LYS 32 -10.217 2.235 -8.860 208 HG3 LYS 32 2HG LYS 32 -9.470 3.653 -9.599 209 HD2 LYS 32 1HD LYS 32 -7.303 2.452 -9.605 210 HD3 LYS 32 2HD LYS 32 -8.127 1.023 -8.977 211 HE2 LYS 32 1HE LYS 32 -8.798 2.401 -11.575 212 HE3 LYS 32 2HE LYS 32 -7.786 0.964 -11.431 213 HZ1 LYS 32 1HZ LYS 32 -9.585 -0.322 -10.746 214 HZ2 LYS 32 2HZ LYS 32 -10.228 0.631 -11.986 215 HZ3 LYS 32 3HZ LYS 32 -10.544 1.020 -10.371 216 H LEU 33 H LEU 33 -8.379 6.162 -5.552 217 HA LEU 33 HA LEU 33 -9.251 4.773 -3.149 218 HB2 LEU 33 1HB LEU 33 -6.891 5.545 -3.469 219 HB3 LEU 33 2HB LEU 33 -7.472 7.198 -3.394 220 HG LEU 33 HG LEU 33 -8.318 6.739 -1.090 221 HD11 LEU 33 1HD1 LEU 33 -8.583 4.357 -1.174 222 HD12 LEU 33 2HD1 LEU 33 -6.866 4.134 -1.508 223 HD13 LEU 33 3HD1 LEU 33 -7.386 4.747 0.061 224 HD21 LEU 33 1HD2 LEU 33 -6.334 7.332 -0.165 225 HD22 LEU 33 2HD2 LEU 33 -5.438 6.063 -0.999 226 HD23 LEU 33 3HD2 LEU 33 -5.891 7.533 -1.861 227 H LYS 34 H LYS 34 -9.755 7.806 -4.829 228 HA LYS 34 HA LYS 34 -10.933 9.383 -2.927 229 HB2 LYS 34 1HB LYS 34 -11.522 9.030 -5.853 230 HB3 LYS 34 2HB LYS 34 -12.428 10.183 -4.883 231 HG2 LYS 34 1HG LYS 34 -10.176 11.158 -4.219 232 HG3 LYS 34 2HG LYS 34 -9.498 10.187 -5.528 233 HD2 LYS 34 1HD LYS 34 -11.845 11.960 -6.059 234 HD3 LYS 34 2HD LYS 34 -10.226 12.656 -5.968 235 HE2 LYS 34 1HE LYS 34 -10.706 10.252 -7.672 236 HE3 LYS 34 2HE LYS 34 -11.194 11.842 -8.258 237 HZ1 LYS 34 1HZ LYS 34 -8.781 12.466 -7.562 238 HZ2 LYS 34 2HZ LYS 34 -9.065 11.702 -9.043 239 HZ3 LYS 34 3HZ LYS 34 -8.499 10.806 -7.725 240 H GLN 35 H GLN 35 -12.454 6.782 -4.792 241 HA GLN 35 HA GLN 35 -15.079 7.091 -3.973 242 HB2 GLN 35 1HB GLN 35 -13.737 4.413 -4.330 243 HB3 GLN 35 2HB GLN 35 -15.429 4.812 -4.596 244 HG2 GLN 35 1HG GLN 35 -14.534 6.426 -6.394 245 HG3 GLN 35 2HG GLN 35 -13.050 5.482 -6.275 246 HE21 GLN 35 1HE2 GLN 35 -15.723 5.823 -8.039 247 HE22 GLN 35 2HE2 GLN 35 -15.938 4.208 -8.612 248 H GLY 36 H GLY 36 -12.530 5.135 -2.430 249 HA2 GLY 36 1HA GLY 36 -13.187 5.739 0.191 250 HA3 GLY 36 2HA GLY 36 -14.159 4.339 -0.236 251 H ALA 37 H ALA 37 -12.261 4.268 1.795 252 HA ALA 37 HA ALA 37 -9.806 3.136 0.822 253 HB1 ALA 37 1HB ALA 37 -11.012 3.567 3.521 254 HB2 ALA 37 2HB ALA 37 -9.620 2.498 3.340 255 HB3 ALA 37 3HB ALA 37 -9.503 4.189 2.852 256 H SER 38 H SER 38 -12.721 1.934 0.526 257 HA SER 38 HA SER 38 -12.033 -0.793 1.386 258 HB2 SER 38 1HB SER 38 -14.166 0.115 2.257 259 HB3 SER 38 2HB SER 38 -14.736 0.326 0.602 260 HG SER 38 HG SER 38 -15.297 -1.699 1.841 261 H LYS 39 H LYS 39 -12.682 1.217 -1.356 262 HA LYS 39 HA LYS 39 -13.172 -0.891 -3.221 263 HB2 LYS 39 1HB LYS 39 -12.244 1.933 -3.769 264 HB3 LYS 39 2HB LYS 39 -12.971 0.828 -4.928 265 HG2 LYS 39 1HG LYS 39 -14.369 1.848 -2.467 266 HG3 LYS 39 2HG LYS 39 -14.512 2.577 -4.068 267 HD2 LYS 39 1HD LYS 39 -15.063 -0.340 -3.689 268 HD3 LYS 39 2HD LYS 39 -16.293 0.855 -3.273 269 HE2 LYS 39 1HE LYS 39 -16.317 1.703 -5.511 270 HE3 LYS 39 2HE LYS 39 -14.921 0.722 -5.952 271 HZ1 LYS 39 1HZ LYS 39 -17.101 -0.166 -6.712 272 HZ2 LYS 39 2HZ LYS 39 -17.519 -0.422 -5.093 273 HZ3 LYS 39 3HZ LYS 39 -16.207 -1.249 -5.767 274 H LYS 40 H LYS 40 -11.788 -1.956 -4.552 275 HA LYS 40 HA LYS 40 -9.125 -2.309 -3.802 276 HB2 LYS 40 1HB LYS 40 -10.263 -2.844 -6.548 277 HB3 LYS 40 2HB LYS 40 -8.878 -3.629 -5.801 278 HG2 LYS 40 1HG LYS 40 -11.493 -3.815 -4.413 279 HG3 LYS 40 2HG LYS 40 -11.258 -4.766 -5.881 280 HD2 LYS 40 1HD LYS 40 -9.136 -5.637 -4.849 281 HD3 LYS 40 2HD LYS 40 -9.626 -4.849 -3.348 282 HE2 LYS 40 1HE LYS 40 -10.855 -7.180 -4.760 283 HE3 LYS 40 2HE LYS 40 -10.409 -7.011 -3.063 284 HZ1 LYS 40 1HZ LYS 40 -12.676 -5.636 -4.403 285 HZ2 LYS 40 2HZ LYS 40 -12.246 -5.464 -2.776 286 HZ3 LYS 40 3HZ LYS 40 -12.802 -6.955 -3.350 287 H CYS 41 H CYS 41 -7.758 -0.617 -3.755 288 HA CYS 41 HA CYS 41 -7.448 0.946 -6.235 289 HB2 CYS 41 1HB CYS 41 -6.572 2.775 -4.787 290 HB3 CYS 41 2HB CYS 41 -8.256 2.379 -4.467 291 HG CYS 41 HG CYS 41 -7.954 2.031 -1.949 292 H ILE 42 H ILE 42 -5.907 -0.958 -3.790 293 HA ILE 42 HA ILE 42 -3.225 -0.267 -4.646 294 HB ILE 42 HB ILE 42 -4.157 -2.377 -2.697 295 HG12 ILE 42 1HG1 ILE 42 -2.849 0.272 -2.083 296 HG13 ILE 42 2HG1 ILE 42 -4.597 0.068 -2.132 297 HG21 ILE 42 1HG2 ILE 42 -1.763 -2.283 -1.937 298 HG22 ILE 42 2HG2 ILE 42 -2.025 -3.019 -3.518 299 HG23 ILE 42 3HG2 ILE 42 -1.412 -1.369 -3.405 300 HD11 ILE 42 1HD1 ILE 42 -4.263 -1.776 -0.415 301 HD12 ILE 42 2HD1 ILE 42 -2.630 -1.138 -0.225 302 HD13 ILE 42 3HD1 ILE 42 -4.023 -0.113 0.121 303 H GLN 43 H GLN 43 -2.547 -1.052 -6.532 304 HA GLN 43 HA GLN 43 -3.406 -3.717 -7.381 305 HB2 GLN 43 1HB GLN 43 -3.460 -1.560 -8.851 306 HB3 GLN 43 2HB GLN 43 -1.742 -1.875 -9.060 307 HG2 GLN 43 1HG GLN 43 -2.353 -4.169 -9.855 308 HG3 GLN 43 2HG GLN 43 -4.038 -3.652 -9.837 309 HE21 GLN 43 1HE2 GLN 43 -4.498 -3.648 -11.955 310 HE22 GLN 43 2HE2 GLN 43 -3.686 -2.684 -13.136 311 H ASN 44 H ASN 44 -2.137 -5.391 -6.975 312 HA ASN 44 HA ASN 44 0.590 -5.035 -6.134 313 HB2 ASN 44 1HB ASN 44 0.546 -7.277 -5.501 314 HB3 ASN 44 2HB ASN 44 -1.141 -6.803 -5.324 315 HD21 ASN 44 1HD2 ASN 44 -2.421 -7.091 -7.439 316 HD22 ASN 44 2HD2 ASN 44 -2.194 -8.605 -8.239 317 H GLU 45 H GLU 45 2.180 -6.808 -7.091 318 HA GLU 45 HA GLU 45 2.913 -5.960 -9.636 319 HB2 GLU 45 1HB GLU 45 3.613 -8.554 -8.250 320 HB3 GLU 45 2HB GLU 45 4.447 -7.900 -9.652 321 HG2 GLU 45 1HG GLU 45 4.214 -6.252 -7.180 322 HG3 GLU 45 2HG GLU 45 5.408 -7.546 -7.261 323 H ALA 46 H ALA 46 0.790 -8.545 -8.638 324 HA ALA 46 HA ALA 46 0.675 -9.818 -11.204 325 HB1 ALA 46 1HB ALA 46 0.023 -10.615 -8.704 326 HB2 ALA 46 2HB ALA 46 -1.573 -10.238 -9.356 327 HB3 ALA 46 3HB ALA 46 -0.539 -11.408 -10.176 328 H GLY 47 H GLY 47 -0.402 -6.884 -10.224 329 HA2 GLY 47 1HA GLY 47 -1.725 -5.369 -11.377 330 HA3 GLY 47 2HA GLY 47 -2.213 -6.666 -12.458 331 H ASP 48 H ASP 48 -2.881 -8.219 -9.873 332 HA ASP 48 HA ASP 48 -5.656 -7.673 -9.907 333 HB2 ASP 48 1HB ASP 48 -4.012 -9.261 -7.925 334 HB3 ASP 48 2HB ASP 48 -5.771 -9.273 -8.015 335 H TRP 49 H TRP 49 -6.543 -5.888 -9.112 336 HA TRP 49 HA TRP 49 -5.343 -4.187 -7.225 337 HB2 TRP 49 1HB TRP 49 -8.262 -4.408 -7.993 338 HB3 TRP 49 2HB TRP 49 -7.529 -3.053 -7.139 339 HD1 TRP 49 HD1 TRP 49 -7.411 -4.781 -10.593 340 HE1 TRP 49 HE1 TRP 49 -6.679 -3.035 -12.336 341 HE3 TRP 49 HE3 TRP 49 -6.422 -0.867 -7.456 342 HZ2 TRP 49 HZ2 TRP 49 -5.797 -0.354 -12.376 343 HZ3 TRP 49 HZ3 TRP 49 -5.638 1.253 -8.427 344 HH2 TRP 49 HH2 TRP 49 -5.332 1.503 -10.836 345 H LEU 50 H LEU 50 -5.922 -3.730 -5.053 346 HA LEU 50 HA LEU 50 -7.499 -5.752 -3.649 347 HB2 LEU 50 1HB LEU 50 -4.718 -4.966 -2.778 348 HB3 LEU 50 2HB LEU 50 -5.783 -6.098 -1.966 349 HG LEU 50 HG LEU 50 -5.019 -6.670 -4.789 350 HD11 LEU 50 1HD1 LEU 50 -2.864 -6.211 -4.036 351 HD12 LEU 50 2HD1 LEU 50 -3.194 -6.836 -2.420 352 HD13 LEU 50 3HD1 LEU 50 -3.036 -7.947 -3.780 353 HD21 LEU 50 1HD2 LEU 50 -5.283 -8.931 -4.111 354 HD22 LEU 50 2HD2 LEU 50 -5.295 -8.486 -2.405 355 HD23 LEU 50 3HD2 LEU 50 -6.646 -8.033 -3.443 356 H THR 51 H THR 51 -8.494 -5.024 -1.798 357 HA THR 51 HA THR 51 -8.858 -2.207 -1.569 358 HB THR 51 HB THR 51 -10.409 -2.680 0.199 359 HG1 THR 51 HG1 THR 51 -9.906 -4.234 1.534 360 HG21 THR 51 1HG2 THR 51 -10.711 -5.052 -1.615 361 HG22 THR 51 2HG2 THR 51 -10.906 -3.409 -2.227 362 HG23 THR 51 3HG2 THR 51 -11.958 -4.003 -0.943 363 H VAL 52 H VAL 52 -8.299 -0.825 0.122 364 HA VAL 52 HA VAL 52 -5.815 -0.723 1.091 365 HB VAL 52 HB VAL 52 -8.273 0.057 2.665 366 HG11 VAL 52 1HG1 VAL 52 -5.407 0.939 2.996 367 HG12 VAL 52 2HG1 VAL 52 -6.794 1.598 3.865 368 HG13 VAL 52 3HG1 VAL 52 -6.315 -0.082 4.110 369 HG21 VAL 52 1HG2 VAL 52 -8.022 2.226 1.696 370 HG22 VAL 52 2HG2 VAL 52 -6.502 1.769 0.927 371 HG23 VAL 52 3HG2 VAL 52 -8.017 1.049 0.382 372 H LYS 53 H LYS 53 -8.362 -2.757 2.365 373 HA LYS 53 HA LYS 53 -6.793 -3.593 4.650 374 HB2 LYS 53 1HB LYS 53 -9.499 -4.357 3.576 375 HB3 LYS 53 2HB LYS 53 -8.747 -5.252 4.890 376 HG2 LYS 53 1HG LYS 53 -8.651 -3.217 6.231 377 HG3 LYS 53 2HG LYS 53 -9.391 -2.309 4.911 378 HD2 LYS 53 1HD LYS 53 -10.785 -4.736 5.935 379 HD3 LYS 53 2HD LYS 53 -10.839 -3.259 6.900 380 HE2 LYS 53 1HE LYS 53 -11.699 -2.043 4.933 381 HE3 LYS 53 2HE LYS 53 -11.702 -3.553 4.024 382 HZ1 LYS 53 1HZ LYS 53 -13.892 -3.086 4.875 383 HZ2 LYS 53 2HZ LYS 53 -13.303 -2.971 6.456 384 HZ3 LYS 53 3HZ LYS 53 -13.273 -4.457 5.649 385 H GLU 54 H GLU 54 -8.087 -5.151 1.717 386 HA GLU 54 HA GLU 54 -7.077 -7.673 1.988 387 HB2 GLU 54 1HB GLU 54 -7.569 -5.924 -0.379 388 HB3 GLU 54 2HB GLU 54 -6.718 -7.442 -0.627 389 HG2 GLU 54 1HG GLU 54 -9.245 -7.495 0.928 390 HG3 GLU 54 2HG GLU 54 -9.340 -7.265 -0.817 391 H PHE 55 H PHE 55 -5.380 -4.991 0.357 392 HA PHE 55 HA PHE 55 -3.014 -6.131 -0.278 393 HB2 PHE 55 1HB PHE 55 -3.574 -3.752 -0.671 394 HB3 PHE 55 2HB PHE 55 -3.295 -3.419 1.035 395 HD1 PHE 55 HD1 PHE 55 -1.471 -5.201 -1.696 396 HD2 PHE 55 HD2 PHE 55 -1.320 -2.352 1.463 397 HE1 PHE 55 HE1 PHE 55 0.912 -4.809 -2.168 398 HE2 PHE 55 HE2 PHE 55 1.062 -1.955 0.995 399 HZ PHE 55 HZ PHE 55 2.181 -3.183 -0.823 400 H LEU 56 H LEU 56 -3.886 -4.914 2.939 401 HA LEU 56 HA LEU 56 -1.444 -5.450 4.204 402 HB2 LEU 56 1HB LEU 56 -4.141 -5.616 5.534 403 HB3 LEU 56 2HB LEU 56 -2.606 -5.191 6.268 404 HG LEU 56 HG LEU 56 -4.068 -3.514 4.226 405 HD11 LEU 56 1HD1 LEU 56 -4.021 -2.043 6.486 406 HD12 LEU 56 2HD1 LEU 56 -5.376 -3.061 5.998 407 HD13 LEU 56 3HD1 LEU 56 -4.195 -3.663 7.160 408 HD21 LEU 56 1HD2 LEU 56 -1.442 -3.274 5.610 409 HD22 LEU 56 2HD2 LEU 56 -1.886 -2.870 3.953 410 HD23 LEU 56 3HD2 LEU 56 -2.368 -1.811 5.277 411 H ASN 57 H ASN 57 -4.396 -7.422 3.981 412 HA ASN 57 HA ASN 57 -3.594 -9.591 5.498 413 HB2 ASN 57 1HB ASN 57 -5.478 -9.251 3.203 414 HB3 ASN 57 2HB ASN 57 -5.094 -10.883 3.742 415 HD21 ASN 57 1HD2 ASN 57 -6.234 -7.743 4.880 416 HD22 ASN 57 2HD2 ASN 57 -7.235 -8.366 6.144 417 H GLU 58 H GLU 58 -2.873 -8.832 2.133 418 HA GLU 58 HA GLU 58 -1.757 -11.255 1.340 419 HB2 GLU 58 1HB GLU 58 -1.476 -8.424 0.475 420 HB3 GLU 58 2HB GLU 58 -0.257 -9.561 -0.085 421 HG2 GLU 58 1HG GLU 58 -3.217 -9.951 -0.442 422 HG3 GLU 58 2HG GLU 58 -2.155 -9.230 -1.651 423 H GLY 59 H GLY 59 -0.311 -8.542 3.080 424 HA2 GLY 59 1HA GLY 59 2.317 -9.742 3.091 425 HA3 GLY 59 2HA GLY 59 1.834 -8.273 3.926 426 H GLY 60 H GLY 60 -0.387 -9.470 5.333 427 HA2 GLY 60 1HA GLY 60 -0.677 -11.320 6.909 428 HA3 GLY 60 2HA GLY 60 1.066 -11.302 7.138 429 H ARG 61 H ARG 61 -0.833 -8.373 6.948 430 HA ARG 61 HA ARG 61 -0.344 -7.944 9.822 431 HB2 ARG 61 1HB ARG 61 0.833 -6.502 7.931 432 HB3 ARG 61 2HB ARG 61 -0.698 -5.638 7.966 433 HG2 ARG 61 1HG ARG 61 0.440 -4.420 9.500 434 HG3 ARG 61 2HG ARG 61 -0.225 -5.656 10.570 435 HD2 ARG 61 1HD ARG 61 2.000 -6.916 9.924 436 HD3 ARG 61 2HD ARG 61 2.561 -5.278 9.593 437 HE ARG 61 HE ARG 61 1.313 -5.689 12.177 438 HH11 ARG 61 1HH1 ARG 61 4.264 -5.544 10.336 439 HH12 ARG 61 2HH1 ARG 61 5.266 -5.246 11.718 440 HH21 ARG 61 1HH2 ARG 61 2.621 -5.296 14.004 441 HH22 ARG 61 2HH2 ARG 61 4.330 -5.106 13.804 442 H ALA 62 H ALA 62 -2.709 -8.998 8.177 443 HA ALA 62 HA ALA 62 -4.845 -7.315 8.039 444 HB1 ALA 62 1HB ALA 62 -4.643 -10.197 8.811 445 HB2 ALA 62 2HB ALA 62 -6.206 -9.378 8.823 446 HB3 ALA 62 3HB ALA 62 -5.273 -9.476 7.330 447 H THR 63 H THR 63 -3.258 -8.452 10.909 448 HA THR 63 HA THR 63 -5.386 -7.664 12.693 449 HB THR 63 HB THR 63 -3.807 -8.203 14.501 450 HG1 THR 63 HG1 THR 63 -1.718 -8.841 14.016 451 HG21 THR 63 1HG2 THR 63 -4.550 -10.059 12.358 452 HG22 THR 63 2HG2 THR 63 -4.765 -10.198 14.103 453 HG23 THR 63 3HG2 THR 63 -3.219 -10.620 13.368 454 H SER 64 H SER 64 -3.881 -5.737 10.833 455 HA SER 64 HA SER 64 -2.651 -3.899 12.707 456 HB2 SER 64 1HB SER 64 -1.554 -3.929 10.624 457 HB3 SER 64 2HB SER 64 -3.070 -3.890 9.724 458 HG SER 64 HG SER 64 -3.342 -1.752 10.332 459 H LYS 65 H LYS 65 -3.359 -1.716 13.001 460 HA LYS 65 HA LYS 65 -6.278 -1.495 12.969 461 HB2 LYS 65 1HB LYS 65 -4.099 -0.193 14.563 462 HB3 LYS 65 2HB LYS 65 -5.671 0.585 14.436 463 HG2 LYS 65 1HG LYS 65 -5.840 -0.636 16.392 464 HG3 LYS 65 2HG LYS 65 -6.615 -1.684 15.202 465 HD2 LYS 65 1HD LYS 65 -4.817 -3.158 15.145 466 HD3 LYS 65 2HD LYS 65 -3.694 -1.965 15.801 467 HE2 LYS 65 1HE LYS 65 -5.976 -3.202 17.336 468 HE3 LYS 65 2HE LYS 65 -4.304 -3.754 17.411 469 HZ1 LYS 65 1HZ LYS 65 -5.534 -1.607 18.788 470 HZ2 LYS 65 2HZ LYS 65 -4.231 -1.034 17.874 471 HZ3 LYS 65 3HZ LYS 65 -3.992 -2.269 19.006 472 H ASP 66 H ASP 66 -3.368 0.251 11.974 473 HA ASP 66 HA ASP 66 -5.069 1.949 10.266 474 HB2 ASP 66 1HB ASP 66 -4.098 3.419 11.832 475 HB3 ASP 66 2HB ASP 66 -2.543 2.594 11.771 476 H TRP 67 H TRP 67 -4.879 1.481 8.188 477 HA TRP 67 HA TRP 67 -2.851 -0.209 7.156 478 HB2 TRP 67 1HB TRP 67 -3.850 0.332 4.944 479 HB3 TRP 67 2HB TRP 67 -5.047 -0.170 6.135 480 HD1 TRP 67 HD1 TRP 67 -6.660 1.782 7.134 481 HE1 TRP 67 HE1 TRP 67 -7.426 4.010 6.097 482 HE3 TRP 67 HE3 TRP 67 -3.147 2.211 3.445 483 HZ2 TRP 67 HZ2 TRP 67 -6.645 5.722 3.993 484 HZ3 TRP 67 HZ3 TRP 67 -3.227 4.173 1.962 485 HH2 TRP 67 HH2 TRP 67 -4.941 5.891 2.232 486 H LYS 68 H LYS 68 -3.228 3.255 7.364 487 HA LYS 68 HA LYS 68 -1.282 3.993 5.457 488 HB2 LYS 68 1HB LYS 68 -2.274 5.445 7.916 489 HB3 LYS 68 2HB LYS 68 -1.252 6.169 6.681 490 HG2 LYS 68 1HG LYS 68 -2.956 6.012 5.047 491 HG3 LYS 68 2HG LYS 68 -3.941 4.971 6.078 492 HD2 LYS 68 1HD LYS 68 -3.779 7.051 7.708 493 HD3 LYS 68 2HD LYS 68 -3.512 7.913 6.191 494 HE2 LYS 68 1HE LYS 68 -5.593 6.797 5.321 495 HE3 LYS 68 2HE LYS 68 -5.884 6.223 6.962 496 HZ1 LYS 68 1HZ LYS 68 -6.360 8.801 5.837 497 HZ2 LYS 68 2HZ LYS 68 -5.416 8.904 7.237 498 HZ3 LYS 68 3HZ LYS 68 -6.925 8.142 7.289 499 H GLY 69 H GLY 69 -1.066 2.887 8.745 500 HA2 GLY 69 1HA GLY 69 1.650 3.788 9.126 501 HA3 GLY 69 2HA GLY 69 0.729 2.755 10.209 502 H VAL 70 H VAL 70 0.073 0.658 8.542 503 HA VAL 70 HA VAL 70 2.478 -0.846 8.572 504 HB VAL 70 HB VAL 70 1.164 -2.653 7.568 505 HG11 VAL 70 1HG1 VAL 70 -0.680 -2.707 9.308 506 HG12 VAL 70 2HG1 VAL 70 0.965 -2.500 9.914 507 HG13 VAL 70 3HG1 VAL 70 -0.119 -1.112 9.809 508 HG21 VAL 70 1HG2 VAL 70 -0.818 -0.450 7.116 509 HG22 VAL 70 2HG2 VAL 70 -0.213 -1.652 5.976 510 HG23 VAL 70 3HG2 VAL 70 -1.339 -2.130 7.247 511 H ILE 71 H ILE 71 0.544 0.582 5.971 512 HA ILE 71 HA ILE 71 2.209 -0.430 3.878 513 HB ILE 71 HB ILE 71 0.172 1.800 3.837 514 HG12 ILE 71 1HG1 ILE 71 -0.056 -1.058 2.872 515 HG13 ILE 71 2HG1 ILE 71 -0.684 -0.479 4.411 516 HG21 ILE 71 1HG2 ILE 71 1.984 0.719 1.786 517 HG22 ILE 71 2HG2 ILE 71 0.303 0.914 1.292 518 HG23 ILE 71 3HG2 ILE 71 1.209 2.299 1.901 519 HD11 ILE 71 1HD1 ILE 71 -2.519 0.313 3.455 520 HD12 ILE 71 2HD1 ILE 71 -1.599 1.139 2.197 521 HD13 ILE 71 3HD1 ILE 71 -2.027 -0.561 2.004 522 H ARG 72 H ARG 72 4.073 0.353 3.154 523 HA ARG 72 HA ARG 72 4.841 3.084 3.949 524 HB2 ARG 72 1HB ARG 72 6.694 0.780 3.324 525 HB3 ARG 72 2HB ARG 72 7.147 2.360 3.950 526 HG2 ARG 72 1HG ARG 72 5.529 1.689 5.908 527 HG3 ARG 72 2HG ARG 72 5.886 0.056 5.341 528 HD2 ARG 72 1HD ARG 72 8.306 0.578 5.535 529 HD3 ARG 72 2HD ARG 72 7.876 2.141 6.229 530 HE ARG 72 HE ARG 72 7.494 1.092 8.218 531 HH11 ARG 72 1HH1 ARG 72 7.402 -1.280 5.671 532 HH12 ARG 72 2HH1 ARG 72 7.260 -2.626 6.753 533 HH21 ARG 72 1HH2 ARG 72 7.308 -0.672 9.652 534 HH22 ARG 72 2HH2 ARG 72 7.206 -2.279 9.016 535 H CYS 73 H CYS 73 5.510 4.494 2.418 536 HA CYS 73 HA CYS 73 5.618 3.504 -0.355 537 HB2 CYS 73 1HB CYS 73 3.666 4.870 -0.117 538 HB3 CYS 73 2HB CYS 73 4.569 6.117 0.733 539 HG CYS 73 HG CYS 73 4.117 5.685 -2.525 540 H ASN 74 H ASN 74 7.678 3.434 -0.973 541 HA ASN 74 HA ASN 74 9.811 4.067 -1.442 542 HB2 ASN 74 1HB ASN 74 8.654 6.807 -0.898 543 HB3 ASN 74 2HB ASN 74 10.282 6.539 -1.514 544 HD21 ASN 74 1HD2 ASN 74 8.804 8.054 -3.036 545 HD22 ASN 74 2HD2 ASN 74 8.215 7.217 -4.427 546 H GLY 75 H GLY 75 9.064 3.298 1.257 547 HA2 GLY 75 1HA GLY 75 10.441 2.947 3.119 548 HA3 GLY 75 2HA GLY 75 11.445 4.294 2.603 549 H GLU 76 H GLU 76 8.550 5.604 2.331 550 HA GLU 76 HA GLU 76 8.476 6.478 5.145 551 HB2 GLU 76 1HB GLU 76 8.006 8.009 2.594 552 HB3 GLU 76 2HB GLU 76 7.440 8.600 4.150 553 HG2 GLU 76 1HG GLU 76 9.438 9.664 4.055 554 HG3 GLU 76 2HG GLU 76 9.952 8.167 4.832 555 H THR 77 H THR 77 6.674 6.056 6.226 556 HA THR 77 HA THR 77 4.517 4.641 5.159 557 HB THR 77 HB THR 77 3.323 5.192 7.269 558 HG1 THR 77 HG1 THR 77 3.907 7.109 8.010 559 HG21 THR 77 1HG2 THR 77 6.189 4.283 7.408 560 HG22 THR 77 2HG2 THR 77 4.728 3.296 7.382 561 HG23 THR 77 3HG2 THR 77 5.120 4.254 8.809 562 H LEU 78 H LEU 78 2.437 5.211 4.564 563 HA LEU 78 HA LEU 78 2.019 7.439 3.040 564 HB2 LEU 78 1HB LEU 78 -0.092 6.010 4.658 565 HB3 LEU 78 2HB LEU 78 -0.378 7.011 3.247 566 HG LEU 78 HG LEU 78 1.230 4.458 3.194 567 HD11 LEU 78 1HD1 LEU 78 -0.973 3.830 1.835 568 HD12 LEU 78 2HD1 LEU 78 -0.808 3.543 3.567 569 HD13 LEU 78 3HD1 LEU 78 -1.677 4.963 2.988 570 HD21 LEU 78 1HD2 LEU 78 1.463 6.387 1.436 571 HD22 LEU 78 2HD2 LEU 78 1.367 4.705 0.917 572 HD23 LEU 78 3HD2 LEU 78 -0.060 5.736 0.832 573 H ARG 79 H ARG 79 1.136 7.043 6.462 574 HA ARG 79 HA ARG 79 -0.071 9.496 6.891 575 HB2 ARG 79 1HB ARG 79 0.028 7.611 8.522 576 HB3 ARG 79 2HB ARG 79 1.704 8.032 8.849 577 HG2 ARG 79 1HG ARG 79 0.694 10.389 9.372 578 HG3 ARG 79 2HG ARG 79 -0.792 9.465 9.601 579 HD2 ARG 79 1HD ARG 79 1.749 8.595 10.919 580 HD3 ARG 79 2HD ARG 79 0.781 9.889 11.624 581 HE ARG 79 HE ARG 79 0.170 7.085 11.602 582 HH11 ARG 79 1HH1 ARG 79 -1.168 10.295 11.768 583 HH12 ARG 79 2HH1 ARG 79 -2.612 9.791 12.583 584 HH21 ARG 79 1HH2 ARG 79 -1.726 6.410 12.675 585 HH22 ARG 79 2HH2 ARG 79 -2.928 7.582 13.099 586 H HIS 80 H HIS 80 3.365 8.657 6.979 587 HA HIS 80 HA HIS 80 4.325 11.130 7.905 588 HB2 HIS 80 1HB HIS 80 5.582 8.907 7.689 589 HB3 HIS 80 2HB HIS 80 5.827 9.341 6.000 590 HD1 HIS 80 HD1 HIS 80 7.050 10.035 9.414 591 HD2 HIS 80 HD2 HIS 80 7.515 11.612 5.598 592 HE1 HIS 80 HE1 HIS 80 9.056 11.547 9.551 593 HE2 HIS 80 HE2 HIS 80 9.266 12.555 7.252 594 H LEU 81 H LEU 81 3.996 9.883 4.586 595 HA LEU 81 HA LEU 81 4.928 12.193 3.287 596 HB2 LEU 81 1HB LEU 81 2.994 10.087 2.316 597 HB3 LEU 81 2HB LEU 81 3.768 11.283 1.293 598 HG LEU 81 HG LEU 81 5.242 9.179 2.879 599 HD11 LEU 81 1HD1 LEU 81 4.861 9.241 -0.098 600 HD12 LEU 81 2HD1 LEU 81 5.471 7.928 0.910 601 HD13 LEU 81 3HD1 LEU 81 3.765 8.370 0.975 602 HD21 LEU 81 1HD2 LEU 81 7.181 9.864 1.653 603 HD22 LEU 81 2HD2 LEU 81 6.232 10.995 0.688 604 HD23 LEU 81 3HD2 LEU 81 6.474 11.292 2.409 605 H GLU 82 H GLU 82 1.688 11.206 4.292 606 HA GLU 82 HA GLU 82 0.229 13.235 3.040 607 HB2 GLU 82 1HB GLU 82 -0.855 11.300 4.038 608 HB3 GLU 82 2HB GLU 82 -0.321 11.793 5.638 609 HG2 GLU 82 1HG GLU 82 -1.653 13.943 5.196 610 HG3 GLU 82 2HG GLU 82 -2.411 13.031 3.892 611 H GLN 83 H GLN 83 1.727 13.137 6.255 612 HA GLN 83 HA GLN 83 0.825 15.602 7.194 613 HB2 GLN 83 1HB GLN 83 3.268 13.957 7.785 614 HB3 GLN 83 2HB GLN 83 3.029 15.522 8.552 615 HG2 GLN 83 1HG GLN 83 0.733 14.594 9.242 616 HG3 GLN 83 2HG GLN 83 1.418 13.020 8.842 617 HE21 GLN 83 1HE2 GLN 83 1.766 12.072 10.733 618 HE22 GLN 83 2HE2 GLN 83 2.659 12.751 12.047 619 H LYS 84 H LYS 84 3.555 14.797 5.128 620 HA LYS 84 HA LYS 84 4.564 17.502 5.113 621 HB2 LYS 84 1HB LYS 84 5.308 15.048 3.517 622 HB3 LYS 84 2HB LYS 84 6.118 16.601 3.356 623 HG2 LYS 84 1HG LYS 84 7.169 16.422 5.374 624 HG3 LYS 84 2HG LYS 84 5.909 15.397 6.064 625 HD2 LYS 84 1HD LYS 84 7.758 13.976 5.779 626 HD3 LYS 84 2HD LYS 84 6.692 13.612 4.420 627 HE2 LYS 84 1HE LYS 84 8.883 13.758 3.535 628 HE3 LYS 84 2HE LYS 84 8.056 15.242 3.065 629 HZ1 LYS 84 1HZ LYS 84 9.352 15.569 5.564 630 HZ2 LYS 84 2HZ LYS 84 9.565 16.441 4.130 631 HZ3 LYS 84 3HZ LYS 84 10.458 15.030 4.403 632 H GLY 85 H GLY 85 1.814 16.520 3.993 633 HA2 GLY 85 1HA GLY 85 0.389 17.240 2.344 634 HA3 GLY 85 2HA GLY 85 1.550 18.522 2.033 635 H LEU 86 H LEU 86 2.253 15.089 1.771 636 HA LEU 86 HA LEU 86 2.810 15.497 -1.080 637 HB2 LEU 86 1HB LEU 86 3.637 13.172 0.653 638 HB3 LEU 86 2HB LEU 86 4.232 13.563 -0.949 639 HG LEU 86 HG LEU 86 4.659 15.335 1.453 640 HD11 LEU 86 1HD1 LEU 86 6.842 13.682 0.300 641 HD12 LEU 86 2HD1 LEU 86 6.632 14.302 1.938 642 HD13 LEU 86 3HD1 LEU 86 5.695 12.910 1.395 643 HD21 LEU 86 1HD2 LEU 86 4.775 16.329 -0.853 644 HD22 LEU 86 2HD2 LEU 86 6.249 16.470 0.104 645 HD23 LEU 86 3HD2 LEU 86 6.137 15.253 -1.167 646 H LEU 87 H LEU 87 0.993 13.484 1.155 647 HA LEU 87 HA LEU 87 -0.293 12.156 -1.137 648 HB2 LEU 87 1HB LEU 87 0.840 10.658 0.460 649 HB3 LEU 87 2HB LEU 87 -0.173 11.277 1.750 650 HG LEU 87 HG LEU 87 -2.137 10.455 0.220 651 HD11 LEU 87 1HD1 LEU 87 0.185 8.797 -0.752 652 HD12 LEU 87 2HD1 LEU 87 -1.515 8.408 -1.016 653 HD13 LEU 87 3HD1 LEU 87 -0.827 9.875 -1.713 654 HD21 LEU 87 1HD2 LEU 87 -0.475 8.376 1.618 655 HD22 LEU 87 2HD2 LEU 87 -1.384 9.610 2.489 656 HD23 LEU 87 3HD2 LEU 87 -2.230 8.454 1.462 657 H PHE 88 H PHE 88 -2.456 12.305 -1.428 658 HA PHE 88 HA PHE 88 -3.858 14.331 0.078 659 HB2 PHE 88 1HB PHE 88 -5.406 14.359 -1.644 660 HB3 PHE 88 2HB PHE 88 -3.959 13.825 -2.493 661 HD1 PHE 88 HD1 PHE 88 -3.690 11.080 -2.146 662 HD2 PHE 88 HD2 PHE 88 -7.303 13.319 -2.376 663 HE1 PHE 88 HE1 PHE 88 -4.883 9.070 -2.915 664 HE2 PHE 88 HE2 PHE 88 -8.501 11.313 -3.144 665 HZ PHE 88 HZ PHE 88 -7.292 9.185 -3.414 666 H SER 89 H SER 89 -3.933 10.841 -0.285 667 HA SER 89 HA SER 89 -5.100 9.199 0.781 668 HB2 SER 89 1HB SER 89 -3.795 10.078 2.681 669 HB3 SER 89 2HB SER 89 -5.090 11.221 3.036 670 HG SER 89 HG SER 89 -5.916 9.677 4.182 671 H GLY 90 H GLY 90 -6.704 10.663 -0.894 672 HA2 GLY 90 1HA GLY 90 -9.003 10.580 -1.313 673 HA3 GLY 90 2HA GLY 90 -9.284 10.316 0.401 674 HA PRO 91 HA PRO 91 -10.198 14.775 -0.910 675 HB2 PRO 91 1HB PRO 91 -12.895 14.683 -0.611 676 HB3 PRO 91 2HB PRO 91 -12.084 14.306 -2.136 677 HG2 PRO 91 1HG PRO 91 -13.141 12.446 -0.043 678 HG3 PRO 91 2HG PRO 91 -13.268 12.332 -1.808 679 HD2 PRO 91 1HD PRO 91 -11.456 10.910 -0.383 680 HD3 PRO 91 2HD PRO 91 -11.136 11.484 -2.032 681 H SER 92 H SER 92 -9.259 15.475 1.003 682 HA SER 92 HA SER 92 -10.160 14.888 3.589 683 HB2 SER 92 1HB SER 92 -8.630 17.277 2.538 684 HB3 SER 92 2HB SER 92 -8.885 16.950 4.252 685 HG SER 92 HG SER 92 -7.795 14.952 2.608 686 H SER 93 H SER 93 -12.091 15.317 4.410 687 HA SER 93 HA SER 93 -13.798 17.353 3.345 688 HB2 SER 93 1HB SER 93 -15.428 16.583 4.943 689 HB3 SER 93 2HB SER 93 -14.606 15.167 4.287 690 HG SER 93 HG SER 93 -14.770 15.034 6.548 691 H GLY 94 H GLY 94 -12.036 16.916 6.399 692 HA2 GLY 94 1HA GLY 94 -11.111 19.365 6.891 693 HA3 GLY 94 2HA GLY 94 -12.810 19.579 7.286 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 19.359 13.961 -18.776 2 HA2 GLY 1 1HA GLY 1 17.858 13.923 -17.039 3 HA3 GLY 1 2HA GLY 1 18.262 15.612 -16.770 4 H SER 2 H SER 2 15.676 14.033 -16.778 5 HA SER 2 HA SER 2 14.140 14.981 -18.981 6 HB2 SER 2 1HB SER 2 12.203 14.161 -17.723 7 HB3 SER 2 2HB SER 2 13.506 12.974 -17.691 8 HG SER 2 HG SER 2 13.879 14.529 -15.614 9 H SER 3 H SER 3 12.078 16.293 -18.522 10 HA SER 3 HA SER 3 12.296 18.320 -16.487 11 HB2 SER 3 1HB SER 3 12.871 18.934 -19.376 12 HB3 SER 3 2HB SER 3 12.198 20.164 -18.306 13 HG SER 3 HG SER 3 14.153 20.454 -17.625 14 H GLY 4 H GLY 4 10.508 20.032 -16.855 15 HA2 GLY 4 1HA GLY 4 8.294 19.474 -18.497 16 HA3 GLY 4 2HA GLY 4 8.036 18.707 -16.937 17 H SER 5 H SER 5 7.804 21.575 -18.715 18 HA SER 5 HA SER 5 7.662 23.285 -16.359 19 HB2 SER 5 1HB SER 5 7.598 23.806 -19.324 20 HB3 SER 5 2HB SER 5 7.142 25.056 -18.166 21 HG SER 5 HG SER 5 9.636 23.917 -18.676 22 H SER 6 H SER 6 5.572 22.632 -19.178 23 HA SER 6 HA SER 6 3.253 23.637 -17.796 24 HB2 SER 6 1HB SER 6 2.047 22.931 -19.873 25 HB3 SER 6 2HB SER 6 3.405 24.014 -20.179 26 HG SER 6 HG SER 6 3.219 21.235 -20.630 27 H GLY 7 H GLY 7 2.390 22.451 -16.215 28 HA2 GLY 7 1HA GLY 7 1.283 20.701 -15.210 29 HA3 GLY 7 2HA GLY 7 1.267 19.892 -16.770 30 H ASN 8 H ASN 8 1.941 17.882 -16.301 31 HA ASN 8 HA ASN 8 4.653 17.609 -15.227 32 HB2 ASN 8 1HB ASN 8 2.161 16.343 -14.138 33 HB3 ASN 8 2HB ASN 8 3.699 15.494 -14.015 34 HD21 ASN 8 1HD2 ASN 8 1.706 17.915 -12.731 35 HD22 ASN 8 2HD2 ASN 8 2.795 18.510 -11.529 36 H ASP 9 H ASP 9 5.715 15.648 -15.822 37 HA ASP 9 HA ASP 9 4.899 14.698 -18.423 38 HB2 ASP 9 1HB ASP 9 7.317 15.204 -17.508 39 HB3 ASP 9 2HB ASP 9 7.221 13.542 -16.932 40 H ALA 10 H ALA 10 4.340 13.764 -15.240 41 HA ALA 10 HA ALA 10 3.992 10.936 -15.922 42 HB1 ALA 10 1HB ALA 10 3.530 10.718 -13.444 43 HB2 ALA 10 2HB ALA 10 5.166 11.203 -13.891 44 HB3 ALA 10 3HB ALA 10 4.020 12.406 -13.299 45 H VAL 11 H VAL 11 2.087 10.433 -16.781 46 HA VAL 11 HA VAL 11 -0.296 11.953 -16.027 47 HB VAL 11 HB VAL 11 0.092 9.901 -18.211 48 HG11 VAL 11 1HG1 VAL 11 -2.248 10.290 -17.102 49 HG12 VAL 11 2HG1 VAL 11 -2.233 11.764 -18.073 50 HG13 VAL 11 3HG1 VAL 11 -2.095 10.188 -18.856 51 HG21 VAL 11 1HG2 VAL 11 0.515 11.582 -19.672 52 HG22 VAL 11 2HG2 VAL 11 -0.500 12.737 -18.809 53 HG23 VAL 11 3HG2 VAL 11 1.120 12.372 -18.215 54 H ASP 12 H ASP 12 0.909 8.623 -16.136 55 HA ASP 12 HA ASP 12 -1.431 7.729 -14.615 56 HB2 ASP 12 1HB ASP 12 -1.042 5.593 -15.396 57 HB3 ASP 12 2HB ASP 12 -0.411 6.547 -16.736 58 H PHE 13 H PHE 13 1.998 8.240 -14.354 59 HA PHE 13 HA PHE 13 2.350 6.736 -11.946 60 HB2 PHE 13 1HB PHE 13 4.026 8.710 -13.465 61 HB3 PHE 13 2HB PHE 13 4.510 8.187 -11.855 62 HD1 PHE 13 HD1 PHE 13 3.484 6.801 -15.156 63 HD2 PHE 13 HD2 PHE 13 5.818 6.305 -11.631 64 HE1 PHE 13 HE1 PHE 13 4.517 4.789 -16.127 65 HE2 PHE 13 HE2 PHE 13 6.855 4.293 -12.597 66 HZ PHE 13 HZ PHE 13 6.205 3.533 -14.848 67 H SER 14 H SER 14 1.336 9.953 -12.723 68 HA SER 14 HA SER 14 1.900 11.201 -10.253 69 HB2 SER 14 1HB SER 14 1.410 12.812 -11.795 70 HB3 SER 14 2HB SER 14 0.221 11.807 -12.624 71 HG SER 14 HG SER 14 -0.321 12.759 -10.038 72 HA PRO 15 HA PRO 15 -2.680 10.205 -9.078 73 HB2 PRO 15 1HB PRO 15 -4.024 8.465 -10.670 74 HB3 PRO 15 2HB PRO 15 -4.018 10.211 -10.945 75 HG2 PRO 15 1HG PRO 15 -2.394 8.078 -12.277 76 HG3 PRO 15 2HG PRO 15 -3.215 9.474 -12.999 77 HD2 PRO 15 1HD PRO 15 -0.554 9.447 -12.499 78 HD3 PRO 15 2HD PRO 15 -1.527 10.930 -12.412 79 H THR 16 H THR 16 -0.158 8.206 -9.732 80 HA THR 16 HA THR 16 -1.237 6.092 -7.988 81 HB THR 16 HB THR 16 0.150 4.437 -9.198 82 HG1 THR 16 HG1 THR 16 1.355 5.017 -10.886 83 HG21 THR 16 1HG2 THR 16 -2.219 5.753 -10.196 84 HG22 THR 16 2HG2 THR 16 -1.802 4.040 -10.202 85 HG23 THR 16 3HG2 THR 16 -1.265 5.083 -11.518 86 H LEU 17 H LEU 17 0.187 5.197 -6.495 87 HA LEU 17 HA LEU 17 2.878 6.351 -6.348 88 HB2 LEU 17 1HB LEU 17 1.040 6.157 -3.964 89 HB3 LEU 17 2HB LEU 17 2.650 6.852 -4.004 90 HG LEU 17 HG LEU 17 0.286 7.974 -5.508 91 HD11 LEU 17 1HD1 LEU 17 0.532 7.991 -2.810 92 HD12 LEU 17 2HD1 LEU 17 1.404 9.462 -3.240 93 HD13 LEU 17 3HD1 LEU 17 -0.271 9.250 -3.749 94 HD21 LEU 17 1HD2 LEU 17 1.642 9.769 -6.086 95 HD22 LEU 17 2HD2 LEU 17 2.832 9.400 -4.838 96 HD23 LEU 17 3HD2 LEU 17 2.717 8.384 -6.275 97 HA PRO 18 HA PRO 18 4.001 2.160 -5.564 98 HB2 PRO 18 1HB PRO 18 6.489 2.598 -4.571 99 HB3 PRO 18 2HB PRO 18 6.099 2.754 -6.288 100 HG2 PRO 18 1HG PRO 18 6.357 4.887 -4.203 101 HG3 PRO 18 2HG PRO 18 6.955 4.876 -5.872 102 HD2 PRO 18 1HD PRO 18 4.696 6.178 -5.143 103 HD3 PRO 18 2HD PRO 18 4.899 5.442 -6.746 104 H VAL 19 H VAL 19 3.094 1.068 -3.936 105 HA VAL 19 HA VAL 19 3.675 1.926 -1.175 106 HB VAL 19 HB VAL 19 1.573 0.850 -0.501 107 HG11 VAL 19 1HG1 VAL 19 0.122 2.442 -2.161 108 HG12 VAL 19 2HG1 VAL 19 0.989 3.006 -0.731 109 HG13 VAL 19 3HG1 VAL 19 1.733 3.140 -2.325 110 HG21 VAL 19 1HG2 VAL 19 0.767 -0.739 -1.845 111 HG22 VAL 19 2HG2 VAL 19 0.110 0.572 -2.825 112 HG23 VAL 19 3HG2 VAL 19 1.673 -0.136 -3.233 113 H THR 20 H THR 20 4.044 0.307 0.395 114 HA THR 20 HA THR 20 4.409 -2.434 -0.528 115 HB THR 20 HB THR 20 6.702 -2.455 0.625 116 HG1 THR 20 HG1 THR 20 7.686 -0.533 0.941 117 HG21 THR 20 1HG2 THR 20 6.573 -2.763 -1.736 118 HG22 THR 20 2HG2 THR 20 7.828 -1.560 -1.443 119 HG23 THR 20 3HG2 THR 20 6.234 -1.054 -2.003 120 H CYS 21 H CYS 21 3.737 -3.827 0.970 121 HA CYS 21 HA CYS 21 3.699 -2.953 3.781 122 HB2 CYS 21 1HB CYS 21 1.427 -2.913 2.801 123 HB3 CYS 21 2HB CYS 21 1.589 -4.616 2.391 124 HG CYS 21 HG CYS 21 2.225 -4.283 5.580 125 H GLY 22 H GLY 22 5.266 -4.106 4.728 126 HA2 GLY 22 1HA GLY 22 6.476 -5.908 5.473 127 HA3 GLY 22 2HA GLY 22 5.021 -6.852 5.186 128 H LYS 23 H LYS 23 5.106 -8.382 3.676 129 HA LYS 23 HA LYS 23 7.456 -8.445 1.921 130 HB2 LYS 23 1HB LYS 23 6.943 -10.834 1.638 131 HB3 LYS 23 2HB LYS 23 7.147 -10.408 3.332 132 HG2 LYS 23 1HG LYS 23 4.519 -10.125 3.199 133 HG3 LYS 23 2HG LYS 23 4.717 -11.267 1.867 134 HD2 LYS 23 1HD LYS 23 6.113 -11.848 4.428 135 HD3 LYS 23 2HD LYS 23 4.364 -12.077 4.367 136 HE2 LYS 23 1HE LYS 23 5.250 -14.161 3.774 137 HE3 LYS 23 2HE LYS 23 4.796 -13.424 2.239 138 HZ1 LYS 23 1HZ LYS 23 7.211 -12.635 2.182 139 HZ2 LYS 23 2HZ LYS 23 6.906 -14.266 1.854 140 HZ3 LYS 23 3HZ LYS 23 7.494 -13.804 3.372 141 H ALA 24 H ALA 24 4.617 -7.112 1.669 142 HA ALA 24 HA ALA 24 4.123 -8.068 -1.077 143 HB1 ALA 24 1HB ALA 24 1.881 -6.626 -0.050 144 HB2 ALA 24 2HB ALA 24 1.973 -8.303 -0.587 145 HB3 ALA 24 3HB ALA 24 2.332 -7.893 1.090 146 H LYS 25 H LYS 25 3.498 -6.485 -2.641 147 HA LYS 25 HA LYS 25 3.805 -3.681 -1.967 148 HB2 LYS 25 1HB LYS 25 5.628 -3.226 -3.425 149 HB3 LYS 25 2HB LYS 25 6.123 -4.580 -2.416 150 HG2 LYS 25 1HG LYS 25 5.322 -6.060 -4.350 151 HG3 LYS 25 2HG LYS 25 5.351 -4.578 -5.309 152 HD2 LYS 25 1HD LYS 25 7.453 -5.583 -5.651 153 HD3 LYS 25 2HD LYS 25 7.743 -4.281 -4.494 154 HE2 LYS 25 1HE LYS 25 8.904 -6.034 -3.542 155 HE3 LYS 25 2HE LYS 25 7.350 -6.137 -2.715 156 HZ1 LYS 25 1HZ LYS 25 6.905 -7.701 -4.823 157 HZ2 LYS 25 2HZ LYS 25 7.487 -8.275 -3.342 158 HZ3 LYS 25 3HZ LYS 25 8.563 -7.966 -4.611 159 H GLY 26 H GLY 26 2.875 -2.291 -3.469 160 HA2 GLY 26 1HA GLY 26 1.918 -3.328 -6.002 161 HA3 GLY 26 2HA GLY 26 0.659 -2.973 -4.828 162 H THR 27 H THR 27 -0.274 -1.297 -5.948 163 HA THR 27 HA THR 27 1.192 1.218 -5.855 164 HB THR 27 HB THR 27 -0.158 0.296 -8.400 165 HG1 THR 27 HG1 THR 27 2.487 0.208 -7.503 166 HG21 THR 27 1HG2 THR 27 1.041 2.868 -7.490 167 HG22 THR 27 2HG2 THR 27 -0.375 2.578 -8.501 168 HG23 THR 27 3HG2 THR 27 1.243 2.397 -9.177 169 H LEU 28 H LEU 28 -0.069 2.677 -4.920 170 HA LEU 28 HA LEU 28 -2.927 2.210 -4.724 171 HB2 LEU 28 1HB LEU 28 -1.919 2.858 -2.690 172 HB3 LEU 28 2HB LEU 28 -1.037 4.169 -3.450 173 HG LEU 28 HG LEU 28 -3.516 5.037 -3.932 174 HD11 LEU 28 1HD1 LEU 28 -5.141 4.154 -2.696 175 HD12 LEU 28 2HD1 LEU 28 -4.033 2.824 -2.357 176 HD13 LEU 28 3HD1 LEU 28 -4.148 4.183 -1.239 177 HD21 LEU 28 1HD2 LEU 28 -2.665 6.686 -2.718 178 HD22 LEU 28 2HD2 LEU 28 -3.003 5.775 -1.247 179 HD23 LEU 28 3HD2 LEU 28 -1.449 5.591 -2.060 180 H PHE 29 H PHE 29 -4.474 3.297 -5.785 181 HA PHE 29 HA PHE 29 -3.611 5.444 -7.603 182 HB2 PHE 29 1HB PHE 29 -5.908 3.492 -7.810 183 HB3 PHE 29 2HB PHE 29 -5.686 4.857 -8.899 184 HD1 PHE 29 HD2 PHE 29 -3.505 2.165 -7.502 185 HD2 PHE 29 HD1 PHE 29 -4.861 4.267 -10.946 186 HE1 PHE 29 HE2 PHE 29 -2.033 0.791 -8.916 187 HE2 PHE 29 HE1 PHE 29 -3.392 2.896 -12.365 188 HZ PHE 29 HZ PHE 29 -1.974 1.156 -11.351 189 H GLN 30 H GLN 30 -3.956 7.310 -6.534 190 HA GLN 30 HA GLN 30 -5.744 7.924 -4.578 191 HB2 GLN 30 1HB GLN 30 -5.305 9.957 -6.724 192 HB3 GLN 30 2HB GLN 30 -5.295 10.159 -4.977 193 HG2 GLN 30 1HG GLN 30 -3.158 8.764 -5.007 194 HG3 GLN 30 2HG GLN 30 -3.142 9.058 -6.745 195 HE21 GLN 30 1HE2 GLN 30 -2.497 10.326 -3.646 196 HE22 GLN 30 2HE2 GLN 30 -1.951 11.887 -4.143 197 H GLU 31 H GLU 31 -6.344 7.985 -8.066 198 HA GLU 31 HA GLU 31 -8.906 9.087 -8.029 199 HB2 GLU 31 1HB GLU 31 -7.993 8.934 -10.154 200 HB3 GLU 31 2HB GLU 31 -7.440 7.283 -9.910 201 HG2 GLU 31 1HG GLU 31 -9.450 6.373 -10.468 202 HG3 GLU 31 2HG GLU 31 -10.364 7.781 -9.928 203 H LYS 32 H LYS 32 -7.850 5.736 -7.655 204 HA LYS 32 HA LYS 32 -10.578 4.790 -7.386 205 HB2 LYS 32 1HB LYS 32 -7.879 3.517 -7.485 206 HB3 LYS 32 2HB LYS 32 -9.202 2.622 -6.749 207 HG2 LYS 32 1HG LYS 32 -10.321 2.374 -8.726 208 HG3 LYS 32 2HG LYS 32 -9.631 3.838 -9.428 209 HD2 LYS 32 1HD LYS 32 -7.506 2.740 -9.740 210 HD3 LYS 32 2HD LYS 32 -8.085 1.301 -8.898 211 HE2 LYS 32 1HE LYS 32 -9.244 2.387 -11.463 212 HE3 LYS 32 2HE LYS 32 -8.083 1.064 -11.364 213 HZ1 LYS 32 1HZ LYS 32 -9.685 -0.195 -10.063 214 HZ2 LYS 32 2HZ LYS 32 -10.340 0.238 -11.561 215 HZ3 LYS 32 3HZ LYS 32 -10.800 1.074 -10.164 216 H LEU 33 H LEU 33 -8.308 6.210 -5.383 217 HA LEU 33 HA LEU 33 -9.166 4.796 -2.978 218 HB2 LEU 33 1HB LEU 33 -6.759 5.408 -3.399 219 HB3 LEU 33 2HB LEU 33 -7.219 7.089 -3.202 220 HG LEU 33 HG LEU 33 -8.010 6.526 -0.888 221 HD11 LEU 33 1HD1 LEU 33 -7.947 4.456 -0.046 222 HD12 LEU 33 2HD1 LEU 33 -7.849 3.934 -1.728 223 HD13 LEU 33 3HD1 LEU 33 -6.378 4.106 -0.771 224 HD21 LEU 33 1HD2 LEU 33 -5.926 7.607 -1.048 225 HD22 LEU 33 2HD2 LEU 33 -5.653 6.223 0.008 226 HD23 LEU 33 3HD2 LEU 33 -5.133 6.162 -1.675 227 H LYS 34 H LYS 34 -9.548 7.857 -4.610 228 HA LYS 34 HA LYS 34 -10.502 9.498 -2.621 229 HB2 LYS 34 1HB LYS 34 -11.218 9.247 -5.528 230 HB3 LYS 34 2HB LYS 34 -12.018 10.434 -4.507 231 HG2 LYS 34 1HG LYS 34 -9.840 11.420 -3.964 232 HG3 LYS 34 2HG LYS 34 -9.056 10.244 -5.020 233 HD2 LYS 34 1HD LYS 34 -10.485 11.125 -6.891 234 HD3 LYS 34 2HD LYS 34 -10.993 12.417 -5.801 235 HE2 LYS 34 1HE LYS 34 -9.244 13.428 -6.894 236 HE3 LYS 34 2HE LYS 34 -8.417 12.756 -5.489 237 HZ1 LYS 34 1HZ LYS 34 -8.167 10.727 -7.141 238 HZ2 LYS 34 2HZ LYS 34 -7.053 11.998 -7.108 239 HZ3 LYS 34 3HZ LYS 34 -8.260 11.963 -8.292 240 H GLN 35 H GLN 35 -12.321 7.099 -4.501 241 HA GLN 35 HA GLN 35 -14.864 7.585 -3.528 242 HB2 GLN 35 1HB GLN 35 -13.703 4.862 -4.137 243 HB3 GLN 35 2HB GLN 35 -15.405 5.305 -4.151 244 HG2 GLN 35 1HG GLN 35 -14.550 7.067 -5.931 245 HG3 GLN 35 2HG GLN 35 -13.279 5.863 -6.137 246 HE21 GLN 35 1HE2 GLN 35 -14.762 3.557 -5.663 247 HE22 GLN 35 2HE2 GLN 35 -15.889 3.347 -6.956 248 H GLY 36 H GLY 36 -12.567 5.149 -2.279 249 HA2 GLY 36 1HA GLY 36 -13.008 5.753 0.431 250 HA3 GLY 36 2HA GLY 36 -14.089 4.445 -0.027 251 H ALA 37 H ALA 37 -12.114 4.148 1.916 252 HA ALA 37 HA ALA 37 -9.795 2.892 0.769 253 HB1 ALA 37 1HB ALA 37 -10.816 3.332 3.537 254 HB2 ALA 37 2HB ALA 37 -9.543 2.142 3.260 255 HB3 ALA 37 3HB ALA 37 -9.288 3.828 2.808 256 H SER 38 H SER 38 -12.774 1.907 0.536 257 HA SER 38 HA SER 38 -12.298 -0.877 1.347 258 HB2 SER 38 1HB SER 38 -14.366 0.161 2.202 259 HB3 SER 38 2HB SER 38 -14.887 0.476 0.547 260 HG SER 38 HG SER 38 -15.754 -1.475 1.524 261 H LYS 39 H LYS 39 -12.747 1.201 -1.385 262 HA LYS 39 HA LYS 39 -13.315 -0.892 -3.265 263 HB2 LYS 39 1HB LYS 39 -12.342 1.916 -3.816 264 HB3 LYS 39 2HB LYS 39 -13.118 0.828 -4.960 265 HG2 LYS 39 1HG LYS 39 -14.495 1.753 -2.460 266 HG3 LYS 39 2HG LYS 39 -14.540 2.680 -3.962 267 HD2 LYS 39 1HD LYS 39 -15.457 0.681 -5.110 268 HD3 LYS 39 2HD LYS 39 -15.510 -0.149 -3.553 269 HE2 LYS 39 1HE LYS 39 -17.645 0.645 -3.620 270 HE3 LYS 39 2HE LYS 39 -16.855 2.025 -2.860 271 HZ1 LYS 39 1HZ LYS 39 -16.704 2.254 -5.671 272 HZ2 LYS 39 2HZ LYS 39 -17.436 3.297 -4.559 273 HZ3 LYS 39 3HZ LYS 39 -18.314 2.008 -5.213 274 H LYS 40 H LYS 40 -11.943 -1.898 -4.681 275 HA LYS 40 HA LYS 40 -9.280 -2.304 -3.906 276 HB2 LYS 40 1HB LYS 40 -10.406 -2.811 -6.661 277 HB3 LYS 40 2HB LYS 40 -9.051 -3.629 -5.894 278 HG2 LYS 40 1HG LYS 40 -11.683 -3.762 -4.536 279 HG3 LYS 40 2HG LYS 40 -11.467 -4.701 -6.015 280 HD2 LYS 40 1HD LYS 40 -9.340 -5.601 -4.957 281 HD3 LYS 40 2HD LYS 40 -9.906 -4.881 -3.448 282 HE2 LYS 40 1HE LYS 40 -10.779 -6.976 -3.217 283 HE3 LYS 40 2HE LYS 40 -12.113 -6.198 -4.068 284 HZ1 LYS 40 1HZ LYS 40 -10.725 -8.450 -4.850 285 HZ2 LYS 40 2HZ LYS 40 -10.223 -7.232 -5.909 286 HZ3 LYS 40 3HZ LYS 40 -11.869 -7.593 -5.755 287 H CYS 41 H CYS 41 -7.862 -0.663 -3.874 288 HA CYS 41 HA CYS 41 -7.577 0.944 -6.328 289 HB2 CYS 41 1HB CYS 41 -6.631 2.726 -4.865 290 HB3 CYS 41 2HB CYS 41 -8.316 2.357 -4.515 291 HG CYS 41 HG CYS 41 -7.988 1.863 -2.021 292 H ILE 42 H ILE 42 -6.014 -1.020 -3.939 293 HA ILE 42 HA ILE 42 -3.343 -0.375 -4.864 294 HB ILE 42 HB ILE 42 -4.339 -2.380 -2.842 295 HG12 ILE 42 1HG1 ILE 42 -2.669 0.108 -2.449 296 HG13 ILE 42 2HG1 ILE 42 -4.422 0.081 -2.289 297 HG21 ILE 42 1HG2 ILE 42 -1.922 -2.634 -2.251 298 HG22 ILE 42 2HG2 ILE 42 -2.374 -3.321 -3.809 299 HG23 ILE 42 3HG2 ILE 42 -1.530 -1.775 -3.740 300 HD11 ILE 42 1HD1 ILE 42 -4.344 -0.888 -0.274 301 HD12 ILE 42 2HD1 ILE 42 -3.005 -1.947 -0.718 302 HD13 ILE 42 3HD1 ILE 42 -2.691 -0.275 -0.253 303 H GLN 43 H GLN 43 -2.624 -1.206 -6.706 304 HA GLN 43 HA GLN 43 -3.585 -3.844 -7.558 305 HB2 GLN 43 1HB GLN 43 -3.641 -1.664 -9.019 306 HB3 GLN 43 2HB GLN 43 -1.947 -2.046 -9.303 307 HG2 GLN 43 1HG GLN 43 -2.663 -4.304 -10.079 308 HG3 GLN 43 2HG GLN 43 -4.334 -3.754 -9.957 309 HE21 GLN 43 1HE2 GLN 43 -4.879 -3.795 -12.067 310 HE22 GLN 43 2HE2 GLN 43 -4.138 -2.817 -13.283 311 H ASN 44 H ASN 44 -2.320 -5.524 -7.164 312 HA ASN 44 HA ASN 44 0.419 -5.208 -6.386 313 HB2 ASN 44 1HB ASN 44 0.375 -7.468 -5.817 314 HB3 ASN 44 2HB ASN 44 -1.308 -6.993 -5.607 315 HD21 ASN 44 1HD2 ASN 44 -2.600 -7.200 -7.735 316 HD22 ASN 44 2HD2 ASN 44 -2.394 -8.697 -8.573 317 H GLU 45 H GLU 45 1.986 -6.968 -7.412 318 HA GLU 45 HA GLU 45 2.697 -6.047 -9.939 319 HB2 GLU 45 1HB GLU 45 3.400 -8.730 -8.739 320 HB3 GLU 45 2HB GLU 45 4.275 -7.896 -10.015 321 HG2 GLU 45 1HG GLU 45 3.904 -6.491 -7.428 322 HG3 GLU 45 2HG GLU 45 5.061 -7.819 -7.501 323 H ALA 46 H ALA 46 0.556 -8.632 -8.994 324 HA ALA 46 HA ALA 46 0.411 -9.843 -11.589 325 HB1 ALA 46 1HB ALA 46 -0.837 -11.437 -10.601 326 HB2 ALA 46 2HB ALA 46 -0.222 -10.709 -9.116 327 HB3 ALA 46 3HB ALA 46 -1.821 -10.270 -9.717 328 H GLY 47 H GLY 47 -0.625 -6.921 -10.531 329 HA2 GLY 47 1HA GLY 47 -1.941 -5.362 -11.632 330 HA3 GLY 47 2HA GLY 47 -2.440 -6.623 -12.751 331 H ASP 48 H ASP 48 -3.094 -8.215 -10.161 332 HA ASP 48 HA ASP 48 -5.875 -7.653 -10.191 333 HB2 ASP 48 1HB ASP 48 -4.218 -9.337 -8.303 334 HB3 ASP 48 2HB ASP 48 -5.979 -9.298 -8.316 335 H TRP 49 H TRP 49 -6.755 -5.901 -9.323 336 HA TRP 49 HA TRP 49 -5.532 -4.254 -7.407 337 HB2 TRP 49 1HB TRP 49 -8.472 -4.466 -8.094 338 HB3 TRP 49 2HB TRP 49 -7.703 -3.120 -7.257 339 HD1 TRP 49 HD1 TRP 49 -7.792 -4.793 -10.731 340 HE1 TRP 49 HE1 TRP 49 -7.092 -3.044 -12.484 341 HE3 TRP 49 HE3 TRP 49 -6.503 -0.969 -7.592 342 HZ2 TRP 49 HZ2 TRP 49 -6.122 -0.394 -12.531 343 HZ3 TRP 49 HZ3 TRP 49 -5.698 1.139 -8.571 344 HH2 TRP 49 HH2 TRP 49 -5.511 1.419 -10.990 345 H LEU 50 H LEU 50 -6.159 -3.821 -5.217 346 HA LEU 50 HA LEU 50 -7.655 -5.917 -3.842 347 HB2 LEU 50 1HB LEU 50 -4.861 -5.111 -3.029 348 HB3 LEU 50 2HB LEU 50 -5.901 -6.231 -2.169 349 HG LEU 50 HG LEU 50 -5.141 -6.795 -5.010 350 HD11 LEU 50 1HD1 LEU 50 -2.992 -7.023 -4.523 351 HD12 LEU 50 2HD1 LEU 50 -3.289 -6.528 -2.856 352 HD13 LEU 50 3HD1 LEU 50 -3.414 -8.228 -3.306 353 HD21 LEU 50 1HD2 LEU 50 -5.637 -9.015 -4.468 354 HD22 LEU 50 2HD2 LEU 50 -5.524 -8.713 -2.734 355 HD23 LEU 50 3HD2 LEU 50 -6.889 -8.078 -3.652 356 H THR 51 H THR 51 -8.636 -5.253 -1.958 357 HA THR 51 HA THR 51 -9.043 -2.447 -1.657 358 HB THR 51 HB THR 51 -10.491 -3.040 0.234 359 HG1 THR 51 HG1 THR 51 -9.099 -5.445 0.009 360 HG21 THR 51 1HG2 THR 51 -12.171 -4.006 -1.026 361 HG22 THR 51 2HG2 THR 51 -11.066 -5.113 -1.842 362 HG23 THR 51 3HG2 THR 51 -11.092 -3.406 -2.285 363 H VAL 52 H VAL 52 -8.391 -1.069 -0.037 364 HA VAL 52 HA VAL 52 -5.921 -1.015 0.948 365 HB VAL 52 HB VAL 52 -8.335 -0.193 2.569 366 HG11 VAL 52 1HG1 VAL 52 -6.973 0.999 3.962 367 HG12 VAL 52 2HG1 VAL 52 -5.903 -0.354 3.589 368 HG13 VAL 52 3HG1 VAL 52 -5.707 1.185 2.749 369 HG21 VAL 52 1HG2 VAL 52 -8.332 0.789 0.335 370 HG22 VAL 52 2HG2 VAL 52 -8.002 2.013 1.561 371 HG23 VAL 52 3HG2 VAL 52 -6.685 1.368 0.582 372 H LYS 53 H LYS 53 -8.535 -2.932 2.297 373 HA LYS 53 HA LYS 53 -7.052 -3.769 4.607 374 HB2 LYS 53 1HB LYS 53 -9.652 -4.628 3.359 375 HB3 LYS 53 2HB LYS 53 -8.953 -5.513 4.709 376 HG2 LYS 53 1HG LYS 53 -8.901 -3.288 5.937 377 HG3 LYS 53 2HG LYS 53 -9.945 -2.682 4.649 378 HD2 LYS 53 1HD LYS 53 -11.441 -3.362 6.309 379 HD3 LYS 53 2HD LYS 53 -11.429 -4.714 5.175 380 HE2 LYS 53 1HE LYS 53 -9.867 -5.917 6.598 381 HE3 LYS 53 2HE LYS 53 -9.806 -4.552 7.713 382 HZ1 LYS 53 1HZ LYS 53 -11.761 -6.636 7.487 383 HZ2 LYS 53 2HZ LYS 53 -12.459 -5.096 7.512 384 HZ3 LYS 53 3HZ LYS 53 -11.448 -5.586 8.776 385 H GLU 54 H GLU 54 -8.115 -5.419 1.629 386 HA GLU 54 HA GLU 54 -7.003 -7.884 1.984 387 HB2 GLU 54 1HB GLU 54 -7.311 -6.193 -0.479 388 HB3 GLU 54 2HB GLU 54 -6.578 -7.788 -0.573 389 HG2 GLU 54 1HG GLU 54 -9.192 -7.535 0.806 390 HG3 GLU 54 2HG GLU 54 -9.159 -7.410 -0.952 391 H PHE 55 H PHE 55 -5.339 -5.219 0.290 392 HA PHE 55 HA PHE 55 -2.904 -6.220 -0.174 393 HB2 PHE 55 1HB PHE 55 -3.645 -3.828 -0.507 394 HB3 PHE 55 2HB PHE 55 -3.229 -3.540 1.179 395 HD1 PHE 55 HD1 PHE 55 -1.571 -5.329 -1.648 396 HD2 PHE 55 HD2 PHE 55 -1.285 -2.350 1.379 397 HE1 PHE 55 HE1 PHE 55 0.760 -4.892 -2.303 398 HE2 PHE 55 HE2 PHE 55 1.046 -1.908 0.729 399 HZ PHE 55 HZ PHE 55 2.071 -3.179 -1.115 400 H LEU 56 H LEU 56 -3.993 -5.082 3.002 401 HA LEU 56 HA LEU 56 -1.598 -5.479 4.393 402 HB2 LEU 56 1HB LEU 56 -4.374 -5.824 5.519 403 HB3 LEU 56 2HB LEU 56 -2.918 -5.411 6.404 404 HG LEU 56 HG LEU 56 -4.340 -3.666 4.393 405 HD11 LEU 56 1HD1 LEU 56 -4.567 -2.198 6.450 406 HD12 LEU 56 2HD1 LEU 56 -5.576 -3.643 6.392 407 HD13 LEU 56 3HD1 LEU 56 -4.121 -3.623 7.387 408 HD21 LEU 56 1HD2 LEU 56 -2.171 -2.993 4.092 409 HD22 LEU 56 2HD2 LEU 56 -2.628 -1.987 5.466 410 HD23 LEU 56 3HD2 LEU 56 -1.685 -3.454 5.723 411 H ASN 57 H ASN 57 -4.402 -7.647 4.047 412 HA ASN 57 HA ASN 57 -3.508 -9.783 5.544 413 HB2 ASN 57 1HB ASN 57 -5.314 -9.531 3.178 414 HB3 ASN 57 2HB ASN 57 -4.832 -11.144 3.697 415 HD21 ASN 57 1HD2 ASN 57 -6.384 -8.167 4.722 416 HD22 ASN 57 2HD2 ASN 57 -7.333 -8.876 5.980 417 H GLU 58 H GLU 58 -2.746 -8.964 2.194 418 HA GLU 58 HA GLU 58 -1.410 -11.274 1.435 419 HB2 GLU 58 1HB GLU 58 -1.298 -8.419 0.608 420 HB3 GLU 58 2HB GLU 58 0.016 -9.463 0.083 421 HG2 GLU 58 1HG GLU 58 -2.806 -10.328 -0.329 422 HG3 GLU 58 2HG GLU 58 -2.085 -9.140 -1.413 423 H GLY 59 H GLY 59 -0.182 -8.434 3.164 424 HA2 GLY 59 1HA GLY 59 2.492 -9.521 3.324 425 HA3 GLY 59 2HA GLY 59 1.922 -8.033 4.065 426 H GLY 60 H GLY 60 -0.297 -9.222 5.462 427 HA2 GLY 60 1HA GLY 60 -0.578 -11.010 7.116 428 HA3 GLY 60 2HA GLY 60 1.152 -10.910 7.407 429 H ARG 61 H ARG 61 -0.691 -8.005 6.966 430 HA ARG 61 HA ARG 61 -0.466 -7.472 9.857 431 HB2 ARG 61 1HB ARG 61 0.176 -5.812 7.477 432 HB3 ARG 61 2HB ARG 61 -0.541 -4.989 8.856 433 HG2 ARG 61 1HG ARG 61 1.268 -5.415 10.223 434 HG3 ARG 61 2HG ARG 61 1.804 -6.791 9.257 435 HD2 ARG 61 1HD ARG 61 2.309 -5.143 7.413 436 HD3 ARG 61 2HD ARG 61 2.030 -3.864 8.594 437 HE ARG 61 HE ARG 61 4.308 -5.643 8.450 438 HH11 ARG 61 1HH1 ARG 61 2.487 -3.386 10.377 439 HH12 ARG 61 2HH1 ARG 61 3.808 -3.026 11.439 440 HH21 ARG 61 1HH2 ARG 61 6.055 -5.177 9.841 441 HH22 ARG 61 2HH2 ARG 61 5.837 -4.044 11.132 442 H ALA 62 H ALA 62 -2.690 -8.506 7.993 443 HA ALA 62 HA ALA 62 -4.737 -6.696 7.676 444 HB1 ALA 62 1HB ALA 62 -6.276 -8.635 7.906 445 HB2 ALA 62 2HB ALA 62 -4.923 -8.926 6.812 446 HB3 ALA 62 3HB ALA 62 -4.903 -9.607 8.438 447 H THR 63 H THR 63 -3.773 -8.420 10.599 448 HA THR 63 HA THR 63 -5.918 -7.864 12.253 449 HB THR 63 HB THR 63 -4.159 -9.332 13.003 450 HG1 THR 63 HG1 THR 63 -3.622 -7.965 15.057 451 HG21 THR 63 1HG2 THR 63 -2.131 -8.621 12.202 452 HG22 THR 63 2HG2 THR 63 -2.014 -8.044 13.865 453 HG23 THR 63 3HG2 THR 63 -2.455 -6.928 12.573 454 H SER 64 H SER 64 -3.403 -5.748 11.116 455 HA SER 64 HA SER 64 -3.718 -3.701 13.054 456 HB2 SER 64 1HB SER 64 -1.839 -4.134 11.231 457 HB3 SER 64 2HB SER 64 -2.842 -3.044 10.274 458 HG SER 64 HG SER 64 -1.259 -1.914 11.477 459 H LYS 65 H LYS 65 -4.769 -1.687 12.867 460 HA LYS 65 HA LYS 65 -7.211 -1.810 11.266 461 HB2 LYS 65 1HB LYS 65 -7.205 -1.324 13.770 462 HB3 LYS 65 2HB LYS 65 -6.523 0.245 13.362 463 HG2 LYS 65 1HG LYS 65 -8.834 0.588 13.605 464 HG3 LYS 65 2HG LYS 65 -8.530 0.587 11.866 465 HD2 LYS 65 1HD LYS 65 -10.340 -0.802 11.929 466 HD3 LYS 65 2HD LYS 65 -9.058 -1.995 12.150 467 HE2 LYS 65 1HE LYS 65 -10.182 -0.689 14.571 468 HE3 LYS 65 2HE LYS 65 -11.177 -1.886 13.744 469 HZ1 LYS 65 1HZ LYS 65 -8.445 -2.708 14.152 470 HZ2 LYS 65 2HZ LYS 65 -9.883 -3.550 14.440 471 HZ3 LYS 65 3HZ LYS 65 -9.301 -2.453 15.589 472 H ASP 66 H ASP 66 -4.564 0.453 11.984 473 HA ASP 66 HA ASP 66 -5.385 2.274 9.909 474 HB2 ASP 66 1HB ASP 66 -2.705 2.308 11.280 475 HB3 ASP 66 2HB ASP 66 -3.619 3.661 10.619 476 H TRP 67 H TRP 67 -5.061 1.853 7.835 477 HA TRP 67 HA TRP 67 -3.089 -0.051 6.963 478 HB2 TRP 67 1HB TRP 67 -3.932 0.568 4.672 479 HB3 TRP 67 2HB TRP 67 -5.170 -0.022 5.778 480 HD1 TRP 67 HD1 TRP 67 -6.902 1.829 6.765 481 HE1 TRP 67 HE1 TRP 67 -7.689 4.074 5.782 482 HE3 TRP 67 HE3 TRP 67 -3.213 2.534 3.296 483 HZ2 TRP 67 HZ2 TRP 67 -6.856 5.902 3.798 484 HZ3 TRP 67 HZ3 TRP 67 -3.282 4.556 1.896 485 HH2 TRP 67 HH2 TRP 67 -5.067 6.204 2.143 486 H LYS 68 H LYS 68 -3.346 3.410 7.182 487 HA LYS 68 HA LYS 68 -1.292 4.086 5.357 488 HB2 LYS 68 1HB LYS 68 -2.429 5.554 7.738 489 HB3 LYS 68 2HB LYS 68 -1.238 6.254 6.650 490 HG2 LYS 68 1HG LYS 68 -2.826 5.907 4.775 491 HG3 LYS 68 2HG LYS 68 -4.026 5.363 5.950 492 HD2 LYS 68 1HD LYS 68 -3.471 7.642 7.116 493 HD3 LYS 68 2HD LYS 68 -2.896 8.092 5.509 494 HE2 LYS 68 1HE LYS 68 -5.052 7.628 4.552 495 HE3 LYS 68 2HE LYS 68 -5.638 6.977 6.082 496 HZ1 LYS 68 1HZ LYS 68 -4.854 9.796 5.571 497 HZ2 LYS 68 2HZ LYS 68 -5.368 9.183 7.061 498 HZ3 LYS 68 3HZ LYS 68 -6.435 9.219 5.749 499 H GLY 69 H GLY 69 -1.271 2.901 8.608 500 HA2 GLY 69 1HA GLY 69 1.451 3.738 9.139 501 HA3 GLY 69 2HA GLY 69 0.439 2.750 10.181 502 H VAL 70 H VAL 70 -0.218 0.675 8.476 503 HA VAL 70 HA VAL 70 2.127 -0.921 8.634 504 HB VAL 70 HB VAL 70 0.783 -2.679 7.556 505 HG11 VAL 70 1HG1 VAL 70 -1.060 -2.735 9.263 506 HG12 VAL 70 2HG1 VAL 70 0.562 -2.495 9.917 507 HG13 VAL 70 3HG1 VAL 70 -0.543 -1.127 9.769 508 HG21 VAL 70 1HG2 VAL 70 -1.716 -2.002 7.245 509 HG22 VAL 70 2HG2 VAL 70 -1.054 -0.380 7.036 510 HG23 VAL 70 3HG2 VAL 70 -0.553 -1.683 5.958 511 H ILE 71 H ILE 71 0.396 0.618 5.964 512 HA ILE 71 HA ILE 71 2.142 -0.481 3.958 513 HB ILE 71 HB ILE 71 0.135 1.766 3.739 514 HG12 ILE 71 1HG1 ILE 71 -0.135 -1.141 2.949 515 HG13 ILE 71 2HG1 ILE 71 -0.813 -0.443 4.415 516 HG21 ILE 71 1HG2 ILE 71 0.258 1.392 1.337 517 HG22 ILE 71 2HG2 ILE 71 1.840 1.824 1.983 518 HG23 ILE 71 3HG2 ILE 71 1.481 0.145 1.582 519 HD11 ILE 71 1HD1 ILE 71 -2.643 -0.018 3.250 520 HD12 ILE 71 2HD1 ILE 71 -1.720 1.191 2.356 521 HD13 ILE 71 3HD1 ILE 71 -1.851 -0.455 1.736 522 H ARG 72 H ARG 72 4.046 0.292 3.339 523 HA ARG 72 HA ARG 72 4.754 3.045 4.115 524 HB2 ARG 72 1HB ARG 72 6.660 0.753 3.627 525 HB3 ARG 72 2HB ARG 72 7.053 2.340 4.276 526 HG2 ARG 72 1HG ARG 72 5.378 1.694 6.154 527 HG3 ARG 72 2HG ARG 72 5.669 0.048 5.590 528 HD2 ARG 72 1HD ARG 72 8.166 0.664 5.788 529 HD3 ARG 72 2HD ARG 72 7.600 2.007 6.780 530 HE ARG 72 HE ARG 72 6.621 -0.600 7.560 531 HH11 ARG 72 1HH1 ARG 72 9.074 1.835 7.978 532 HH12 ARG 72 2HH1 ARG 72 9.544 1.277 9.549 533 HH21 ARG 72 1HH2 ARG 72 7.232 -1.344 9.628 534 HH22 ARG 72 2HH2 ARG 72 8.497 -0.532 10.487 535 H CYS 73 H CYS 73 5.414 4.438 2.581 536 HA CYS 73 HA CYS 73 5.740 3.387 -0.152 537 HB2 CYS 73 1HB CYS 73 3.712 4.697 0.000 538 HB3 CYS 73 2HB CYS 73 4.578 6.023 0.765 539 HG CYS 73 HG CYS 73 5.750 5.148 -2.254 540 H ASN 74 H ASN 74 7.829 3.395 -0.661 541 HA ASN 74 HA ASN 74 9.950 4.121 -1.048 542 HB2 ASN 74 1HB ASN 74 8.800 6.851 -0.426 543 HB3 ASN 74 2HB ASN 74 10.359 6.544 -1.186 544 HD21 ASN 74 1HD2 ASN 74 9.193 8.045 -2.740 545 HD22 ASN 74 2HD2 ASN 74 8.307 7.284 -4.013 546 H GLY 75 H GLY 75 9.118 3.266 1.596 547 HA2 GLY 75 1HA GLY 75 10.400 2.927 3.522 548 HA3 GLY 75 2HA GLY 75 11.408 4.291 3.063 549 H GLU 76 H GLU 76 8.527 5.587 2.674 550 HA GLU 76 HA GLU 76 8.312 6.422 5.492 551 HB2 GLU 76 1HB GLU 76 8.166 7.953 2.935 552 HB3 GLU 76 2HB GLU 76 7.186 8.497 4.290 553 HG2 GLU 76 1HG GLU 76 8.991 9.126 5.528 554 HG3 GLU 76 2HG GLU 76 10.057 7.936 4.784 555 H THR 77 H THR 77 6.446 6.050 6.489 556 HA THR 77 HA THR 77 4.357 4.603 5.306 557 HB THR 77 HB THR 77 3.079 5.063 7.363 558 HG1 THR 77 HG1 THR 77 5.270 6.776 8.001 559 HG21 THR 77 1HG2 THR 77 5.196 4.452 8.940 560 HG22 THR 77 2HG2 THR 77 5.850 4.064 7.348 561 HG23 THR 77 3HG2 THR 77 4.367 3.289 7.906 562 H LEU 78 H LEU 78 2.327 5.168 4.582 563 HA LEU 78 HA LEU 78 1.929 7.358 3.053 564 HB2 LEU 78 1HB LEU 78 -0.205 6.008 4.709 565 HB3 LEU 78 2HB LEU 78 -0.489 7.005 3.294 566 HG LEU 78 HG LEU 78 1.030 4.396 3.273 567 HD11 LEU 78 1HD1 LEU 78 -1.791 4.935 3.307 568 HD12 LEU 78 2HD1 LEU 78 -1.323 4.194 1.776 569 HD13 LEU 78 3HD1 LEU 78 -0.943 3.388 3.298 570 HD21 LEU 78 1HD2 LEU 78 -0.050 5.986 0.956 571 HD22 LEU 78 2HD2 LEU 78 1.614 6.105 1.527 572 HD23 LEU 78 3HD2 LEU 78 1.004 4.573 0.904 573 H ARG 79 H ARG 79 1.139 7.109 6.502 574 HA ARG 79 HA ARG 79 -0.047 9.605 6.839 575 HB2 ARG 79 1HB ARG 79 -0.163 7.970 8.594 576 HB3 ARG 79 2HB ARG 79 1.588 7.935 8.750 577 HG2 ARG 79 1HG ARG 79 1.563 10.238 9.568 578 HG3 ARG 79 2HG ARG 79 -0.195 10.270 9.412 579 HD2 ARG 79 1HD ARG 79 1.122 8.139 11.041 580 HD3 ARG 79 2HD ARG 79 0.903 9.752 11.718 581 HE ARG 79 HE ARG 79 -1.472 8.558 10.578 582 HH11 ARG 79 1HH1 ARG 79 0.456 9.056 13.433 583 HH12 ARG 79 2HH1 ARG 79 -0.854 8.758 14.528 584 HH21 ARG 79 1HH2 ARG 79 -3.205 8.164 12.009 585 HH22 ARG 79 2HH2 ARG 79 -2.935 8.250 13.716 586 H HIS 80 H HIS 80 3.364 8.673 6.966 587 HA HIS 80 HA HIS 80 4.409 11.127 7.820 588 HB2 HIS 80 1HB HIS 80 5.582 8.843 7.574 589 HB3 HIS 80 2HB HIS 80 5.849 9.312 5.898 590 HD1 HIS 80 HD1 HIS 80 7.057 9.904 9.342 591 HD2 HIS 80 HD2 HIS 80 7.621 11.520 5.557 592 HE1 HIS 80 HE1 HIS 80 9.109 11.346 9.526 593 HE2 HIS 80 HE2 HIS 80 9.381 12.380 7.245 594 H LEU 81 H LEU 81 3.797 9.888 4.554 595 HA LEU 81 HA LEU 81 4.871 12.059 3.138 596 HB2 LEU 81 1HB LEU 81 2.585 10.260 2.328 597 HB3 LEU 81 2HB LEU 81 3.538 11.261 1.249 598 HG LEU 81 HG LEU 81 4.694 9.004 2.882 599 HD11 LEU 81 1HD1 LEU 81 3.164 8.969 0.406 600 HD12 LEU 81 2HD1 LEU 81 4.761 8.237 0.245 601 HD13 LEU 81 3HD1 LEU 81 3.638 7.643 1.468 602 HD21 LEU 81 1HD2 LEU 81 6.476 10.359 2.330 603 HD22 LEU 81 2HD2 LEU 81 6.425 9.260 0.952 604 HD23 LEU 81 3HD2 LEU 81 5.747 10.881 0.812 605 H GLU 82 H GLU 82 1.598 11.451 4.348 606 HA GLU 82 HA GLU 82 0.345 13.680 3.207 607 HB2 GLU 82 1HB GLU 82 -0.764 11.711 4.346 608 HB3 GLU 82 2HB GLU 82 -0.352 12.465 5.880 609 HG2 GLU 82 1HG GLU 82 -1.821 14.092 3.882 610 HG3 GLU 82 2HG GLU 82 -2.699 12.820 4.728 611 H GLN 83 H GLN 83 1.948 13.293 6.348 612 HA GLN 83 HA GLN 83 1.395 15.795 7.422 613 HB2 GLN 83 1HB GLN 83 3.821 14.030 7.764 614 HB3 GLN 83 2HB GLN 83 3.510 15.461 8.738 615 HG2 GLN 83 1HG GLN 83 1.281 14.362 9.320 616 HG3 GLN 83 2HG GLN 83 1.981 12.888 8.654 617 HE21 GLN 83 1HE2 GLN 83 1.555 12.177 10.901 618 HE22 GLN 83 2HE2 GLN 83 2.790 12.445 12.080 619 H LYS 84 H LYS 84 3.930 14.802 5.183 620 HA LYS 84 HA LYS 84 5.132 17.437 5.164 621 HB2 LYS 84 1HB LYS 84 5.695 14.912 3.608 622 HB3 LYS 84 2HB LYS 84 6.571 16.416 3.349 623 HG2 LYS 84 1HG LYS 84 7.656 16.293 5.371 624 HG3 LYS 84 2HG LYS 84 6.410 15.275 6.099 625 HD2 LYS 84 1HD LYS 84 8.102 13.748 5.784 626 HD3 LYS 84 2HD LYS 84 7.189 13.551 4.287 627 HE2 LYS 84 1HE LYS 84 8.738 14.956 3.099 628 HE3 LYS 84 2HE LYS 84 9.588 15.352 4.592 629 HZ1 LYS 84 1HZ LYS 84 10.445 13.195 4.752 630 HZ2 LYS 84 2HZ LYS 84 10.623 13.598 3.119 631 HZ3 LYS 84 3HZ LYS 84 9.369 12.572 3.604 632 H GLY 85 H GLY 85 2.319 16.519 4.044 633 HA2 GLY 85 1HA GLY 85 0.909 17.303 2.410 634 HA3 GLY 85 2HA GLY 85 2.094 18.569 2.127 635 H LEU 86 H LEU 86 2.718 15.125 1.793 636 HA LEU 86 HA LEU 86 3.287 15.582 -1.049 637 HB2 LEU 86 1HB LEU 86 4.078 13.204 0.627 638 HB3 LEU 86 2HB LEU 86 4.686 13.634 -0.960 639 HG LEU 86 HG LEU 86 5.120 15.348 1.481 640 HD11 LEU 86 1HD1 LEU 86 6.780 14.044 2.166 641 HD12 LEU 86 2HD1 LEU 86 6.203 12.821 1.035 642 HD13 LEU 86 3HD1 LEU 86 7.458 13.956 0.541 643 HD21 LEU 86 1HD2 LEU 86 5.322 16.474 -0.686 644 HD22 LEU 86 2HD2 LEU 86 6.879 16.350 0.133 645 HD23 LEU 86 3HD2 LEU 86 6.496 15.263 -1.202 646 H LEU 87 H LEU 87 1.443 13.554 1.151 647 HA LEU 87 HA LEU 87 0.175 12.232 -1.149 648 HB2 LEU 87 1HB LEU 87 1.242 10.844 0.672 649 HB3 LEU 87 2HB LEU 87 -0.011 11.429 1.750 650 HG LEU 87 HG LEU 87 -1.667 10.469 0.016 651 HD11 LEU 87 1HD1 LEU 87 -0.681 9.713 -1.840 652 HD12 LEU 87 2HD1 LEU 87 0.906 9.630 -1.075 653 HD13 LEU 87 3HD1 LEU 87 -0.244 8.309 -0.868 654 HD21 LEU 87 1HD2 LEU 87 -0.387 9.401 2.282 655 HD22 LEU 87 2HD2 LEU 87 -1.947 8.943 1.601 656 HD23 LEU 87 3HD2 LEU 87 -0.484 8.099 1.096 657 H PHE 88 H PHE 88 -2.006 12.336 -1.476 658 HA PHE 88 HA PHE 88 -3.391 14.522 -0.206 659 HB2 PHE 88 1HB PHE 88 -4.933 14.373 -1.927 660 HB3 PHE 88 2HB PHE 88 -3.489 13.730 -2.702 661 HD1 PHE 88 HD1 PHE 88 -3.253 11.040 -2.055 662 HD2 PHE 88 HD2 PHE 88 -6.840 13.278 -2.540 663 HE1 PHE 88 HE1 PHE 88 -4.466 8.970 -2.600 664 HE2 PHE 88 HE2 PHE 88 -8.060 11.212 -3.085 665 HZ PHE 88 HZ PHE 88 -6.873 9.054 -3.114 666 H SER 89 H SER 89 -3.522 11.014 -0.174 667 HA SER 89 HA SER 89 -4.718 9.521 1.065 668 HB2 SER 89 1HB SER 89 -4.286 11.816 2.951 669 HB3 SER 89 2HB SER 89 -5.235 10.421 3.463 670 HG SER 89 HG SER 89 -2.516 10.557 2.745 671 H GLY 90 H GLY 90 -6.306 10.740 -0.769 672 HA2 GLY 90 1HA GLY 90 -8.595 10.696 -1.196 673 HA3 GLY 90 2HA GLY 90 -8.889 10.587 0.533 674 HA PRO 91 HA PRO 91 -10.056 14.844 -0.946 675 HB2 PRO 91 1HB PRO 91 -12.513 14.843 0.210 676 HB3 PRO 91 2HB PRO 91 -12.213 14.205 -1.412 677 HG2 PRO 91 1HG PRO 91 -12.478 12.735 1.183 678 HG3 PRO 91 2HG PRO 91 -13.153 12.331 -0.406 679 HD2 PRO 91 1HD PRO 91 -10.929 11.140 0.578 680 HD3 PRO 91 2HD PRO 91 -11.171 11.426 -1.158 681 H SER 92 H SER 92 -9.205 16.404 0.265 682 HA SER 92 HA SER 92 -8.962 16.104 3.127 683 HB2 SER 92 1HB SER 92 -7.928 18.038 1.091 684 HB3 SER 92 2HB SER 92 -7.932 18.510 2.790 685 HG SER 92 HG SER 92 -6.407 17.092 3.201 686 H SER 93 H SER 93 -10.790 16.429 4.248 687 HA SER 93 HA SER 93 -12.893 18.134 3.517 688 HB2 SER 93 1HB SER 93 -12.763 16.197 5.292 689 HB3 SER 93 2HB SER 93 -12.361 17.509 6.400 690 HG SER 93 HG SER 93 -14.573 17.787 4.701 691 H GLY 94 H GLY 94 -10.499 18.593 6.131 692 HA2 GLY 94 1HA GLY 94 -9.365 20.870 5.942 693 HA3 GLY 94 2HA GLY 94 -11.008 21.492 5.941 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 3.041 1.454 -25.873 2 HA2 GLY 1 1HA GLY 1 3.738 4.123 -25.958 3 HA3 GLY 1 2HA GLY 1 4.194 3.028 -24.661 4 H SER 2 H SER 2 5.270 4.848 -27.341 5 HA SER 2 HA SER 2 7.870 3.523 -27.417 6 HB2 SER 2 1HB SER 2 8.337 4.900 -29.353 7 HB3 SER 2 2HB SER 2 6.731 4.195 -29.539 8 HG SER 2 HG SER 2 6.770 6.633 -28.262 9 H SER 3 H SER 3 9.751 5.224 -27.710 10 HA SER 3 HA SER 3 9.620 6.970 -25.349 11 HB2 SER 3 1HB SER 3 11.974 6.705 -25.113 12 HB3 SER 3 2HB SER 3 11.341 5.096 -25.461 13 HG SER 3 HG SER 3 12.599 5.075 -27.129 14 H GLY 4 H GLY 4 9.883 9.117 -25.528 15 HA2 GLY 4 1HA GLY 4 11.403 10.577 -27.252 16 HA3 GLY 4 2HA GLY 4 9.927 10.283 -28.160 17 H SER 5 H SER 5 7.875 10.711 -26.736 18 HA SER 5 HA SER 5 7.961 13.486 -26.068 19 HB2 SER 5 1HB SER 5 6.001 12.228 -27.109 20 HB3 SER 5 2HB SER 5 5.675 11.598 -25.494 21 HG SER 5 HG SER 5 5.260 14.119 -26.528 22 H SER 6 H SER 6 7.389 10.524 -24.185 23 HA SER 6 HA SER 6 7.176 11.869 -21.690 24 HB2 SER 6 1HB SER 6 7.808 8.966 -22.274 25 HB3 SER 6 2HB SER 6 7.341 9.615 -20.702 26 HG SER 6 HG SER 6 5.611 10.286 -22.714 27 H GLY 7 H GLY 7 8.669 12.181 -20.074 28 HA2 GLY 7 1HA GLY 7 11.482 11.849 -20.897 29 HA3 GLY 7 2HA GLY 7 10.897 13.088 -19.797 30 H ASN 8 H ASN 8 10.424 12.544 -17.643 31 HA ASN 8 HA ASN 8 12.120 10.603 -16.505 32 HB2 ASN 8 1HB ASN 8 9.732 11.877 -15.161 33 HB3 ASN 8 2HB ASN 8 11.183 11.240 -14.391 34 HD21 ASN 8 1HD2 ASN 8 9.716 13.921 -15.907 35 HD22 ASN 8 2HD2 ASN 8 11.049 15.012 -15.784 36 H ASP 9 H ASP 9 8.553 10.711 -16.584 37 HA ASP 9 HA ASP 9 8.376 7.905 -17.137 38 HB2 ASP 9 1HB ASP 9 6.930 7.590 -14.973 39 HB3 ASP 9 2HB ASP 9 8.683 7.433 -14.892 40 H ALA 10 H ALA 10 5.998 7.186 -16.999 41 HA ALA 10 HA ALA 10 4.461 8.853 -18.640 42 HB1 ALA 10 1HB ALA 10 4.310 6.238 -17.782 43 HB2 ALA 10 2HB ALA 10 2.866 6.980 -17.091 44 HB3 ALA 10 3HB ALA 10 3.152 7.058 -18.830 45 H VAL 11 H VAL 11 2.071 9.368 -17.977 46 HA VAL 11 HA VAL 11 2.252 11.242 -15.771 47 HB VAL 11 HB VAL 11 -0.018 11.959 -16.511 48 HG11 VAL 11 1HG1 VAL 11 1.342 12.118 -19.056 49 HG12 VAL 11 2HG1 VAL 11 1.005 13.388 -17.878 50 HG13 VAL 11 3HG1 VAL 11 2.453 12.393 -17.714 51 HG21 VAL 11 1HG2 VAL 11 0.144 10.535 -19.058 52 HG22 VAL 11 2HG2 VAL 11 -0.160 9.484 -17.675 53 HG23 VAL 11 3HG2 VAL 11 -1.244 10.833 -18.011 54 H ASP 12 H ASP 12 0.844 8.154 -16.453 55 HA ASP 12 HA ASP 12 -1.213 8.110 -14.547 56 HB2 ASP 12 1HB ASP 12 0.460 5.728 -15.351 57 HB3 ASP 12 2HB ASP 12 -1.214 5.733 -14.804 58 H PHE 13 H PHE 13 2.142 8.229 -14.134 59 HA PHE 13 HA PHE 13 2.329 6.779 -11.679 60 HB2 PHE 13 1HB PHE 13 4.150 8.739 -13.068 61 HB3 PHE 13 2HB PHE 13 4.545 8.045 -11.499 62 HD1 PHE 13 HD2 PHE 13 4.812 5.566 -11.296 63 HD2 PHE 13 HD1 PHE 13 4.481 7.533 -15.056 64 HE1 PHE 13 HE2 PHE 13 5.763 3.589 -12.410 65 HE2 PHE 13 HE1 PHE 13 5.431 5.559 -16.176 66 HZ PHE 13 HZ PHE 13 6.074 3.584 -14.853 67 H SER 14 H SER 14 1.398 9.982 -12.560 68 HA SER 14 HA SER 14 1.920 11.293 -10.112 69 HB2 SER 14 1HB SER 14 1.488 12.873 -11.701 70 HB3 SER 14 2HB SER 14 0.323 11.855 -12.547 71 HG SER 14 HG SER 14 -0.599 13.704 -11.457 72 HA PRO 15 HA PRO 15 -2.699 10.407 -9.017 73 HB2 PRO 15 1HB PRO 15 -4.052 8.676 -10.611 74 HB3 PRO 15 2HB PRO 15 -3.999 10.417 -10.912 75 HG2 PRO 15 1HG PRO 15 -2.400 8.226 -12.179 76 HG3 PRO 15 2HG PRO 15 -3.172 9.631 -12.938 77 HD2 PRO 15 1HD PRO 15 -0.523 9.548 -12.383 78 HD3 PRO 15 2HD PRO 15 -1.462 11.054 -12.337 79 H THR 16 H THR 16 -0.214 8.339 -9.591 80 HA THR 16 HA THR 16 -1.379 6.277 -7.840 81 HB THR 16 HB THR 16 -0.127 4.543 -8.992 82 HG1 THR 16 HG1 THR 16 1.572 5.222 -10.058 83 HG21 THR 16 1HG2 THR 16 -1.642 6.189 -11.019 84 HG22 THR 16 2HG2 THR 16 -2.400 5.159 -9.805 85 HG23 THR 16 3HG2 THR 16 -1.375 4.447 -11.050 86 H LEU 17 H LEU 17 0.016 5.332 -6.333 87 HA LEU 17 HA LEU 17 2.709 6.478 -6.121 88 HB2 LEU 17 1HB LEU 17 0.813 6.242 -3.786 89 HB3 LEU 17 2HB LEU 17 2.433 6.911 -3.761 90 HG LEU 17 HG LEU 17 0.141 8.110 -5.315 91 HD11 LEU 17 1HD1 LEU 17 0.415 8.068 -2.565 92 HD12 LEU 17 2HD1 LEU 17 1.113 9.617 -3.038 93 HD13 LEU 17 3HD1 LEU 17 -0.538 9.214 -3.507 94 HD21 LEU 17 1HD2 LEU 17 3.008 8.713 -5.022 95 HD22 LEU 17 2HD2 LEU 17 1.896 9.084 -6.339 96 HD23 LEU 17 3HD2 LEU 17 1.918 10.093 -4.893 97 HA PRO 18 HA PRO 18 3.849 2.287 -5.379 98 HB2 PRO 18 1HB PRO 18 6.283 2.718 -4.258 99 HB3 PRO 18 2HB PRO 18 5.972 2.921 -5.986 100 HG2 PRO 18 1HG PRO 18 6.110 4.994 -3.831 101 HG3 PRO 18 2HG PRO 18 6.785 5.037 -5.470 102 HD2 PRO 18 1HD PRO 18 4.481 6.296 -4.810 103 HD3 PRO 18 2HD PRO 18 4.766 5.610 -6.422 104 H VAL 19 H VAL 19 2.998 1.063 -3.826 105 HA VAL 19 HA VAL 19 3.422 1.856 -1.017 106 HB VAL 19 HB VAL 19 1.290 0.771 -0.458 107 HG11 VAL 19 1HG1 VAL 19 0.644 2.901 -0.616 108 HG12 VAL 19 2HG1 VAL 19 1.576 3.161 -2.091 109 HG13 VAL 19 3HG1 VAL 19 -0.041 2.461 -2.180 110 HG21 VAL 19 1HG2 VAL 19 1.105 -0.858 -2.199 111 HG22 VAL 19 2HG2 VAL 19 -0.282 0.224 -2.323 112 HG23 VAL 19 3HG2 VAL 19 1.072 0.394 -3.440 113 H THR 20 H THR 20 3.709 0.171 0.505 114 HA THR 20 HA THR 20 4.065 -2.540 -0.491 115 HB THR 20 HB THR 20 6.340 -2.685 0.598 116 HG1 THR 20 HG1 THR 20 6.972 -0.949 1.615 117 HG21 THR 20 1HG2 THR 20 7.490 -1.464 -1.330 118 HG22 THR 20 2HG2 THR 20 5.868 -1.008 -1.854 119 HG23 THR 20 3HG2 THR 20 6.318 -2.710 -1.756 120 H CYS 21 H CYS 21 3.418 -3.988 0.973 121 HA CYS 21 HA CYS 21 3.326 -3.174 3.801 122 HB2 CYS 21 1HB CYS 21 1.070 -3.128 2.710 123 HB3 CYS 21 2HB CYS 21 1.236 -4.853 2.404 124 HG CYS 21 HG CYS 21 1.806 -4.807 5.480 125 H GLY 22 H GLY 22 4.845 -4.362 4.772 126 HA2 GLY 22 1HA GLY 22 6.042 -6.185 5.488 127 HA3 GLY 22 2HA GLY 22 4.593 -7.117 5.141 128 H LYS 23 H LYS 23 4.656 -8.557 3.532 129 HA LYS 23 HA LYS 23 7.060 -8.586 1.842 130 HB2 LYS 23 1HB LYS 23 6.550 -10.971 1.481 131 HB3 LYS 23 2HB LYS 23 6.753 -10.589 3.186 132 HG2 LYS 23 1HG LYS 23 4.406 -10.683 3.568 133 HG3 LYS 23 2HG LYS 23 4.071 -10.785 1.838 134 HD2 LYS 23 1HD LYS 23 3.869 -12.991 2.471 135 HD3 LYS 23 2HD LYS 23 5.562 -12.929 1.974 136 HE2 LYS 23 1HE LYS 23 6.335 -12.961 4.165 137 HE3 LYS 23 2HE LYS 23 4.793 -12.410 4.820 138 HZ1 LYS 23 1HZ LYS 23 3.829 -14.534 4.384 139 HZ2 LYS 23 2HZ LYS 23 5.268 -14.786 5.236 140 HZ3 LYS 23 3HZ LYS 23 5.212 -15.069 3.570 141 H ALA 24 H ALA 24 4.261 -7.221 1.563 142 HA ALA 24 HA ALA 24 3.630 -8.247 -1.121 143 HB1 ALA 24 1HB ALA 24 1.864 -6.344 0.359 144 HB2 ALA 24 2HB ALA 24 1.443 -7.550 -0.857 145 HB3 ALA 24 3HB ALA 24 1.867 -8.057 0.778 146 H LYS 25 H LYS 25 3.207 -6.730 -2.822 147 HA LYS 25 HA LYS 25 4.141 -3.996 -2.423 148 HB2 LYS 25 1HB LYS 25 5.328 -5.808 -4.532 149 HB3 LYS 25 2HB LYS 25 5.707 -4.107 -4.292 150 HG2 LYS 25 1HG LYS 25 6.935 -4.509 -2.386 151 HG3 LYS 25 2HG LYS 25 6.121 -6.041 -2.058 152 HD2 LYS 25 1HD LYS 25 7.233 -6.986 -4.079 153 HD3 LYS 25 2HD LYS 25 8.139 -5.479 -4.229 154 HE2 LYS 25 1HE LYS 25 9.629 -6.780 -3.057 155 HE3 LYS 25 2HE LYS 25 8.784 -5.963 -1.743 156 HZ1 LYS 25 1HZ LYS 25 7.360 -8.279 -2.355 157 HZ2 LYS 25 2HZ LYS 25 8.229 -7.935 -0.946 158 HZ3 LYS 25 3HZ LYS 25 8.990 -8.718 -2.238 159 H GLY 26 H GLY 26 3.044 -2.552 -3.628 160 HA2 GLY 26 1HA GLY 26 1.802 -3.300 -6.127 161 HA3 GLY 26 2HA GLY 26 0.660 -3.028 -4.820 162 H THR 27 H THR 27 -0.238 -1.270 -5.976 163 HA THR 27 HA THR 27 1.203 1.218 -5.528 164 HB THR 27 HB THR 27 0.128 0.488 -8.259 165 HG1 THR 27 HG1 THR 27 2.779 0.940 -7.310 166 HG21 THR 27 1HG2 THR 27 1.125 3.052 -7.071 167 HG22 THR 27 2HG2 THR 27 -0.289 2.768 -8.087 168 HG23 THR 27 3HG2 THR 27 1.326 2.730 -8.793 169 H LEU 28 H LEU 28 -0.121 2.770 -4.809 170 HA LEU 28 HA LEU 28 -2.980 2.214 -4.739 171 HB2 LEU 28 1HB LEU 28 -2.094 2.845 -2.641 172 HB3 LEU 28 2HB LEU 28 -1.207 4.192 -3.330 173 HG LEU 28 HG LEU 28 -3.676 5.009 -3.931 174 HD11 LEU 28 1HD1 LEU 28 -4.020 2.885 -1.941 175 HD12 LEU 28 2HD1 LEU 28 -4.810 4.410 -1.539 176 HD13 LEU 28 3HD1 LEU 28 -5.182 3.598 -3.059 177 HD21 LEU 28 1HD2 LEU 28 -2.947 6.651 -2.630 178 HD22 LEU 28 2HD2 LEU 28 -3.329 5.693 -1.201 179 HD23 LEU 28 3HD2 LEU 28 -1.732 5.576 -1.939 180 H PHE 29 H PHE 29 -4.503 3.339 -5.815 181 HA PHE 29 HA PHE 29 -3.571 5.513 -7.568 182 HB2 PHE 29 1HB PHE 29 -5.812 3.519 -7.928 183 HB3 PHE 29 2HB PHE 29 -5.584 4.919 -8.970 184 HD1 PHE 29 HD2 PHE 29 -3.375 2.263 -7.548 185 HD2 PHE 29 HD1 PHE 29 -4.667 4.397 -10.997 186 HE1 PHE 29 HE2 PHE 29 -1.805 0.970 -8.932 187 HE2 PHE 29 HE1 PHE 29 -3.099 3.106 -12.386 188 HZ PHE 29 HZ PHE 29 -1.665 1.391 -11.354 189 H GLN 30 H GLN 30 -4.003 7.358 -6.498 190 HA GLN 30 HA GLN 30 -5.853 7.941 -4.612 191 HB2 GLN 30 1HB GLN 30 -5.449 9.955 -6.787 192 HB3 GLN 30 2HB GLN 30 -5.494 10.191 -5.045 193 HG2 GLN 30 1HG GLN 30 -3.303 8.840 -5.024 194 HG3 GLN 30 2HG GLN 30 -3.251 9.192 -6.751 195 HE21 GLN 30 1HE2 GLN 30 -2.624 10.337 -3.631 196 HE22 GLN 30 2HE2 GLN 30 -2.175 11.952 -4.048 197 H GLU 31 H GLU 31 -6.402 8.098 -8.119 198 HA GLU 31 HA GLU 31 -9.004 9.045 -8.115 199 HB2 GLU 31 1HB GLU 31 -9.245 7.926 -10.307 200 HB3 GLU 31 2HB GLU 31 -7.740 8.823 -10.167 201 HG2 GLU 31 1HG GLU 31 -7.694 5.947 -9.460 202 HG3 GLU 31 2HG GLU 31 -7.846 6.374 -11.163 203 H LYS 32 H LYS 32 -7.804 5.787 -7.572 204 HA LYS 32 HA LYS 32 -10.490 4.689 -7.435 205 HB2 LYS 32 1HB LYS 32 -7.724 3.565 -7.356 206 HB3 LYS 32 2HB LYS 32 -9.036 2.620 -6.663 207 HG2 LYS 32 1HG LYS 32 -10.014 2.233 -8.684 208 HG3 LYS 32 2HG LYS 32 -9.410 3.734 -9.389 209 HD2 LYS 32 1HD LYS 32 -7.114 2.719 -9.339 210 HD3 LYS 32 2HD LYS 32 -7.871 1.193 -8.875 211 HE2 LYS 32 1HE LYS 32 -7.653 1.014 -11.186 212 HE3 LYS 32 2HE LYS 32 -9.327 1.522 -10.970 213 HZ1 LYS 32 1HZ LYS 32 -8.318 2.792 -12.719 214 HZ2 LYS 32 2HZ LYS 32 -7.038 3.260 -11.718 215 HZ3 LYS 32 3HZ LYS 32 -8.604 3.818 -11.404 216 H LEU 33 H LEU 33 -8.286 6.183 -5.352 217 HA LEU 33 HA LEU 33 -9.219 4.828 -2.957 218 HB2 LEU 33 1HB LEU 33 -6.835 5.599 -3.314 219 HB3 LEU 33 2HB LEU 33 -7.423 7.241 -3.129 220 HG LEU 33 HG LEU 33 -8.297 6.533 -0.849 221 HD11 LEU 33 1HD1 LEU 33 -6.778 4.089 -1.646 222 HD12 LEU 33 2HD1 LEU 33 -6.837 4.578 0.048 223 HD13 LEU 33 3HD1 LEU 33 -8.331 4.230 -0.822 224 HD21 LEU 33 1HD2 LEU 33 -6.064 7.740 -1.493 225 HD22 LEU 33 2HD2 LEU 33 -6.339 7.184 0.158 226 HD23 LEU 33 3HD2 LEU 33 -5.332 6.236 -0.936 227 H LYS 34 H LYS 34 -9.699 7.830 -4.677 228 HA LYS 34 HA LYS 34 -10.868 9.421 -2.747 229 HB2 LYS 34 1HB LYS 34 -11.461 9.157 -5.693 230 HB3 LYS 34 2HB LYS 34 -12.208 10.388 -4.682 231 HG2 LYS 34 1HG LYS 34 -10.019 11.306 -4.153 232 HG3 LYS 34 2HG LYS 34 -9.248 10.052 -5.127 233 HD2 LYS 34 1HD LYS 34 -9.313 11.738 -6.666 234 HD3 LYS 34 2HD LYS 34 -10.885 10.999 -6.981 235 HE2 LYS 34 1HE LYS 34 -11.743 12.671 -5.193 236 HE3 LYS 34 2HE LYS 34 -10.238 13.530 -5.518 237 HZ1 LYS 34 1HZ LYS 34 -12.496 13.014 -7.345 238 HZ2 LYS 34 2HZ LYS 34 -10.956 13.360 -7.952 239 HZ3 LYS 34 3HZ LYS 34 -11.750 14.486 -6.970 240 H GLN 35 H GLN 35 -12.506 7.107 -4.905 241 HA GLN 35 HA GLN 35 -15.098 7.419 -4.063 242 HB2 GLN 35 1HB GLN 35 -13.757 4.795 -4.735 243 HB3 GLN 35 2HB GLN 35 -15.487 5.109 -4.769 244 HG2 GLN 35 1HG GLN 35 -14.722 7.023 -6.435 245 HG3 GLN 35 2HG GLN 35 -13.370 5.917 -6.674 246 HE21 GLN 35 1HE2 GLN 35 -14.737 3.502 -6.327 247 HE22 GLN 35 2HE2 GLN 35 -15.811 3.285 -7.662 248 H GLY 36 H GLY 36 -12.600 5.357 -2.602 249 HA2 GLY 36 1HA GLY 36 -13.372 5.724 0.028 250 HA3 GLY 36 2HA GLY 36 -14.293 4.344 -0.550 251 H ALA 37 H ALA 37 -12.305 4.362 1.532 252 HA ALA 37 HA ALA 37 -9.916 3.161 0.455 253 HB1 ALA 37 1HB ALA 37 -9.516 4.384 2.396 254 HB2 ALA 37 2HB ALA 37 -10.917 3.706 3.227 255 HB3 ALA 37 3HB ALA 37 -9.489 2.709 2.950 256 H SER 38 H SER 38 -12.782 1.966 0.285 257 HA SER 38 HA SER 38 -12.161 -0.681 1.404 258 HB2 SER 38 1HB SER 38 -14.721 0.740 0.777 259 HB3 SER 38 2HB SER 38 -14.693 -1.023 0.754 260 HG SER 38 HG SER 38 -13.520 0.212 2.947 261 H LYS 39 H LYS 39 -12.792 1.063 -1.539 262 HA LYS 39 HA LYS 39 -13.162 -1.250 -3.187 263 HB2 LYS 39 1HB LYS 39 -12.574 1.640 -3.836 264 HB3 LYS 39 2HB LYS 39 -12.827 0.405 -5.063 265 HG2 LYS 39 1HG LYS 39 -14.904 1.406 -4.881 266 HG3 LYS 39 2HG LYS 39 -15.062 -0.027 -3.861 267 HD2 LYS 39 1HD LYS 39 -14.663 1.308 -1.875 268 HD3 LYS 39 2HD LYS 39 -14.395 2.744 -2.866 269 HE2 LYS 39 1HE LYS 39 -16.584 3.056 -2.265 270 HE3 LYS 39 2HE LYS 39 -16.791 2.169 -3.774 271 HZ1 LYS 39 1HZ LYS 39 -17.461 1.394 -1.090 272 HZ2 LYS 39 2HZ LYS 39 -16.604 0.201 -1.927 273 HZ3 LYS 39 3HZ LYS 39 -18.050 0.806 -2.563 274 H LYS 40 H LYS 40 -11.717 -2.131 -4.693 275 HA LYS 40 HA LYS 40 -9.061 -2.417 -3.827 276 HB2 LYS 40 1HB LYS 40 -10.070 -2.974 -6.617 277 HB3 LYS 40 2HB LYS 40 -8.709 -3.731 -5.801 278 HG2 LYS 40 1HG LYS 40 -11.377 -3.983 -4.536 279 HG3 LYS 40 2HG LYS 40 -11.071 -4.907 -6.008 280 HD2 LYS 40 1HD LYS 40 -8.948 -5.723 -4.885 281 HD3 LYS 40 2HD LYS 40 -9.583 -5.024 -3.394 282 HE2 LYS 40 1HE LYS 40 -10.387 -7.146 -3.178 283 HE3 LYS 40 2HE LYS 40 -11.720 -6.429 -4.081 284 HZ1 LYS 40 1HZ LYS 40 -10.160 -8.612 -4.801 285 HZ2 LYS 40 2HZ LYS 40 -9.767 -7.369 -5.879 286 HZ3 LYS 40 3HZ LYS 40 -11.375 -7.865 -5.711 287 H CYS 41 H CYS 41 -7.699 -0.737 -3.769 288 HA CYS 41 HA CYS 41 -7.443 0.909 -6.200 289 HB2 CYS 41 1HB CYS 41 -6.583 2.706 -4.696 290 HB3 CYS 41 2HB CYS 41 -8.261 2.276 -4.390 291 HG CYS 41 HG CYS 41 -7.913 1.992 -1.872 292 H ILE 42 H ILE 42 -5.826 -0.986 -3.780 293 HA ILE 42 HA ILE 42 -3.176 -0.236 -4.675 294 HB ILE 42 HB ILE 42 -4.084 -2.329 -2.698 295 HG12 ILE 42 1HG1 ILE 42 -2.653 0.286 -2.204 296 HG13 ILE 42 2HG1 ILE 42 -4.402 0.108 -2.111 297 HG21 ILE 42 1HG2 ILE 42 -1.401 -1.639 -3.777 298 HG22 ILE 42 2HG2 ILE 42 -1.536 -2.059 -2.070 299 HG23 ILE 42 3HG2 ILE 42 -2.062 -3.204 -3.304 300 HD11 ILE 42 1HD1 ILE 42 -2.753 -1.758 -0.512 301 HD12 ILE 42 2HD1 ILE 42 -2.844 -0.077 0.015 302 HD13 ILE 42 3HD1 ILE 42 -4.318 -1.030 -0.154 303 H GLN 43 H GLN 43 -2.380 -1.035 -6.497 304 HA GLN 43 HA GLN 43 -3.260 -3.674 -7.417 305 HB2 GLN 43 1HB GLN 43 -3.212 -1.451 -8.838 306 HB3 GLN 43 2HB GLN 43 -1.521 -1.882 -9.057 307 HG2 GLN 43 1HG GLN 43 -2.278 -4.110 -9.888 308 HG3 GLN 43 2HG GLN 43 -3.931 -3.500 -9.837 309 HE21 GLN 43 1HE2 GLN 43 -4.249 -3.674 -12.031 310 HE22 GLN 43 2HE2 GLN 43 -3.467 -2.644 -13.176 311 H ASN 44 H ASN 44 -2.000 -5.382 -7.134 312 HA ASN 44 HA ASN 44 0.651 -5.117 -6.085 313 HB2 ASN 44 1HB ASN 44 0.661 -7.534 -5.986 314 HB3 ASN 44 2HB ASN 44 -0.906 -6.951 -5.434 315 HD21 ASN 44 1HD2 ASN 44 -1.012 -9.431 -6.037 316 HD22 ASN 44 2HD2 ASN 44 -1.689 -9.737 -7.597 317 H GLU 45 H GLU 45 2.421 -6.579 -7.077 318 HA GLU 45 HA GLU 45 3.216 -5.484 -9.514 319 HB2 GLU 45 1HB GLU 45 4.128 -8.102 -8.309 320 HB3 GLU 45 2HB GLU 45 4.991 -7.158 -9.514 321 HG2 GLU 45 1HG GLU 45 4.790 -5.288 -7.650 322 HG3 GLU 45 2HG GLU 45 4.688 -6.703 -6.604 323 H ALA 46 H ALA 46 1.204 -8.214 -8.822 324 HA ALA 46 HA ALA 46 1.440 -9.408 -11.430 325 HB1 ALA 46 1HB ALA 46 -0.193 -9.937 -8.994 326 HB2 ALA 46 2HB ALA 46 -0.690 -10.641 -10.533 327 HB3 ALA 46 3HB ALA 46 0.903 -11.005 -9.871 328 H GLY 47 H GLY 47 -0.187 -6.732 -10.201 329 HA2 GLY 47 1HA GLY 47 -1.392 -5.244 -11.607 330 HA3 GLY 47 2HA GLY 47 -1.838 -6.607 -12.622 331 H ASP 48 H ASP 48 -2.487 -8.106 -10.038 332 HA ASP 48 HA ASP 48 -5.267 -7.600 -10.063 333 HB2 ASP 48 1HB ASP 48 -3.504 -9.198 -8.207 334 HB3 ASP 48 2HB ASP 48 -5.251 -9.108 -8.007 335 H TRP 49 H TRP 49 -6.416 -6.104 -9.046 336 HA TRP 49 HA TRP 49 -5.166 -4.252 -7.256 337 HB2 TRP 49 1HB TRP 49 -8.075 -4.547 -8.037 338 HB3 TRP 49 2HB TRP 49 -7.382 -3.177 -7.174 339 HD1 TRP 49 HD1 TRP 49 -7.288 -4.859 -10.642 340 HE1 TRP 49 HE1 TRP 49 -6.559 -3.097 -12.371 341 HE3 TRP 49 HE3 TRP 49 -6.211 -1.000 -7.466 342 HZ2 TRP 49 HZ2 TRP 49 -5.648 -0.425 -12.387 343 HZ3 TRP 49 HZ3 TRP 49 -5.416 1.125 -8.419 344 HH2 TRP 49 HH2 TRP 49 -5.141 1.404 -10.828 345 H LEU 50 H LEU 50 -5.855 -3.775 -5.094 346 HA LEU 50 HA LEU 50 -7.349 -5.858 -3.699 347 HB2 LEU 50 1HB LEU 50 -4.581 -4.996 -2.853 348 HB3 LEU 50 2HB LEU 50 -5.626 -6.097 -1.976 349 HG LEU 50 HG LEU 50 -4.826 -6.755 -4.783 350 HD11 LEU 50 1HD1 LEU 50 -3.123 -7.015 -2.322 351 HD12 LEU 50 2HD1 LEU 50 -2.915 -8.052 -3.734 352 HD13 LEU 50 3HD1 LEU 50 -2.703 -6.308 -3.882 353 HD21 LEU 50 1HD2 LEU 50 -6.458 -8.201 -3.885 354 HD22 LEU 50 2HD2 LEU 50 -4.928 -9.067 -3.752 355 HD23 LEU 50 3HD2 LEU 50 -5.630 -8.296 -2.330 356 H THR 51 H THR 51 -8.408 -5.151 -1.884 357 HA THR 51 HA THR 51 -8.822 -2.338 -1.649 358 HB THR 51 HB THR 51 -10.447 -2.839 0.026 359 HG1 THR 51 HG1 THR 51 -9.692 -4.281 1.421 360 HG21 THR 51 1HG2 THR 51 -11.915 -4.132 -1.199 361 HG22 THR 51 2HG2 THR 51 -10.668 -5.287 -1.673 362 HG23 THR 51 3HG2 THR 51 -10.735 -3.698 -2.435 363 H VAL 52 H VAL 52 -8.296 -0.953 0.032 364 HA VAL 52 HA VAL 52 -5.863 -0.842 1.100 365 HB VAL 52 HB VAL 52 -8.360 -0.104 2.632 366 HG11 VAL 52 1HG1 VAL 52 -5.993 -0.241 3.779 367 HG12 VAL 52 2HG1 VAL 52 -5.761 1.307 2.964 368 HG13 VAL 52 3HG1 VAL 52 -7.090 1.101 4.106 369 HG21 VAL 52 1HG2 VAL 52 -6.778 1.257 0.492 370 HG22 VAL 52 2HG2 VAL 52 -8.526 1.102 0.665 371 HG23 VAL 52 3HG2 VAL 52 -7.633 2.215 1.702 372 H LYS 53 H LYS 53 -8.490 -2.794 2.400 373 HA LYS 53 HA LYS 53 -6.992 -3.656 4.697 374 HB2 LYS 53 1HB LYS 53 -9.660 -4.300 3.519 375 HB3 LYS 53 2HB LYS 53 -8.959 -5.423 4.677 376 HG2 LYS 53 1HG LYS 53 -8.669 -3.385 6.195 377 HG3 LYS 53 2HG LYS 53 -9.782 -2.573 5.092 378 HD2 LYS 53 1HD LYS 53 -11.257 -4.693 5.477 379 HD3 LYS 53 2HD LYS 53 -10.272 -4.880 6.929 380 HE2 LYS 53 1HE LYS 53 -11.501 -2.228 6.332 381 HE3 LYS 53 2HE LYS 53 -12.513 -3.515 6.986 382 HZ1 LYS 53 1HZ LYS 53 -10.147 -3.411 8.477 383 HZ2 LYS 53 2HZ LYS 53 -11.722 -3.069 8.989 384 HZ3 LYS 53 3HZ LYS 53 -10.750 -1.835 8.361 385 H GLU 54 H GLU 54 -8.032 -5.175 1.652 386 HA GLU 54 HA GLU 54 -7.000 -7.700 1.996 387 HB2 GLU 54 1HB GLU 54 -7.385 -5.967 -0.413 388 HB3 GLU 54 2HB GLU 54 -6.558 -7.508 -0.587 389 HG2 GLU 54 1HG GLU 54 -9.157 -7.470 0.844 390 HG3 GLU 54 2HG GLU 54 -9.163 -7.278 -0.908 391 H PHE 55 H PHE 55 -5.307 -5.066 0.282 392 HA PHE 55 HA PHE 55 -2.898 -6.093 -0.212 393 HB2 PHE 55 1HB PHE 55 -3.556 -3.698 -0.534 394 HB3 PHE 55 2HB PHE 55 -3.210 -3.422 1.170 395 HD1 PHE 55 HD1 PHE 55 -1.488 -5.106 -1.686 396 HD2 PHE 55 HD2 PHE 55 -1.228 -2.350 1.548 397 HE1 PHE 55 HE1 PHE 55 0.872 -4.682 -2.241 398 HE2 PHE 55 HE2 PHE 55 1.131 -1.921 0.997 399 HZ PHE 55 HZ PHE 55 2.184 -3.087 -0.899 400 H LEU 56 H LEU 56 -3.934 -5.001 2.997 401 HA LEU 56 HA LEU 56 -1.522 -5.472 4.345 402 HB2 LEU 56 1HB LEU 56 -4.264 -5.783 5.551 403 HB3 LEU 56 2HB LEU 56 -2.779 -5.332 6.368 404 HG LEU 56 HG LEU 56 -4.181 -3.631 4.305 405 HD11 LEU 56 1HD1 LEU 56 -4.750 -2.203 6.260 406 HD12 LEU 56 2HD1 LEU 56 -5.569 -3.765 6.250 407 HD13 LEU 56 3HD1 LEU 56 -4.188 -3.501 7.313 408 HD21 LEU 56 1HD2 LEU 56 -2.640 -1.902 5.509 409 HD22 LEU 56 2HD2 LEU 56 -1.690 -3.329 5.919 410 HD23 LEU 56 3HD2 LEU 56 -1.991 -2.927 4.229 411 H ASN 57 H ASN 57 -4.414 -7.539 4.090 412 HA ASN 57 HA ASN 57 -3.525 -9.721 5.521 413 HB2 ASN 57 1HB ASN 57 -5.429 -9.388 3.240 414 HB3 ASN 57 2HB ASN 57 -4.986 -11.019 3.739 415 HD21 ASN 57 1HD2 ASN 57 -6.550 -8.056 4.678 416 HD22 ASN 57 2HD2 ASN 57 -7.400 -8.702 6.036 417 H GLU 58 H GLU 58 -2.885 -8.885 2.151 418 HA GLU 58 HA GLU 58 -1.693 -11.222 1.275 419 HB2 GLU 58 1HB GLU 58 -1.443 -8.350 0.547 420 HB3 GLU 58 2HB GLU 58 -0.207 -9.444 -0.058 421 HG2 GLU 58 1HG GLU 58 -3.170 -9.599 -0.540 422 HG3 GLU 58 2HG GLU 58 -1.909 -9.226 -1.714 423 H GLY 59 H GLY 59 -0.312 -8.589 3.176 424 HA2 GLY 59 1HA GLY 59 2.323 -9.810 3.170 425 HA3 GLY 59 2HA GLY 59 1.863 -8.321 3.982 426 H GLY 60 H GLY 60 -0.353 -9.363 5.438 427 HA2 GLY 60 1HA GLY 60 -0.710 -11.216 7.021 428 HA3 GLY 60 2HA GLY 60 1.031 -11.234 7.260 429 H ARG 61 H ARG 61 -0.744 -8.244 6.999 430 HA ARG 61 HA ARG 61 -0.305 -7.798 9.879 431 HB2 ARG 61 1HB ARG 61 0.075 -6.009 7.510 432 HB3 ARG 61 2HB ARG 61 -0.339 -5.301 9.065 433 HG2 ARG 61 1HG ARG 61 1.668 -6.833 9.872 434 HG3 ARG 61 2HG ARG 61 2.155 -6.633 8.188 435 HD2 ARG 61 1HD ARG 61 3.173 -4.802 9.083 436 HD3 ARG 61 2HD ARG 61 1.599 -4.099 8.714 437 HE ARG 61 HE ARG 61 1.154 -3.958 10.973 438 HH11 ARG 61 1HH1 ARG 61 4.044 -5.825 10.436 439 HH12 ARG 61 2HH1 ARG 61 4.505 -5.834 12.106 440 HH21 ARG 61 1HH2 ARG 61 1.751 -3.963 13.174 441 HH22 ARG 61 2HH2 ARG 61 3.199 -4.775 13.663 442 H ALA 62 H ALA 62 -2.675 -8.743 8.147 443 HA ALA 62 HA ALA 62 -4.726 -6.971 7.953 444 HB1 ALA 62 1HB ALA 62 -5.334 -9.057 7.248 445 HB2 ALA 62 2HB ALA 62 -4.623 -9.860 8.649 446 HB3 ALA 62 3HB ALA 62 -6.161 -9.011 8.805 447 H THR 63 H THR 63 -3.613 -8.565 10.912 448 HA THR 63 HA THR 63 -5.557 -7.854 12.702 449 HB THR 63 HB THR 63 -3.751 -7.750 14.439 450 HG1 THR 63 HG1 THR 63 -2.205 -7.644 12.122 451 HG21 THR 63 1HG2 THR 63 -4.667 -9.919 12.953 452 HG22 THR 63 2HG2 THR 63 -3.857 -9.980 14.518 453 HG23 THR 63 3HG2 THR 63 -2.920 -10.142 13.034 454 H SER 64 H SER 64 -2.900 -5.845 11.512 455 HA SER 64 HA SER 64 -3.204 -3.651 13.189 456 HB2 SER 64 1HB SER 64 -1.473 -4.195 11.254 457 HB3 SER 64 2HB SER 64 -2.562 -3.179 10.309 458 HG SER 64 HG SER 64 -0.670 -2.379 11.924 459 H LYS 65 H LYS 65 -4.332 -1.702 13.016 460 HA LYS 65 HA LYS 65 -6.848 -1.917 11.534 461 HB2 LYS 65 1HB LYS 65 -6.703 -1.409 14.054 462 HB3 LYS 65 2HB LYS 65 -6.178 0.198 13.569 463 HG2 LYS 65 1HG LYS 65 -8.449 0.470 13.874 464 HG3 LYS 65 2HG LYS 65 -8.322 0.215 12.132 465 HD2 LYS 65 1HD LYS 65 -10.046 -1.213 12.657 466 HD3 LYS 65 2HD LYS 65 -8.662 -2.301 12.789 467 HE2 LYS 65 1HE LYS 65 -8.638 -1.583 15.273 468 HE3 LYS 65 2HE LYS 65 -10.282 -1.025 14.964 469 HZ1 LYS 65 1HZ LYS 65 -9.534 -3.751 14.174 470 HZ2 LYS 65 2HZ LYS 65 -11.041 -3.145 14.644 471 HZ3 LYS 65 3HZ LYS 65 -9.845 -3.432 15.806 472 H ASP 66 H ASP 66 -4.264 0.447 12.168 473 HA ASP 66 HA ASP 66 -5.213 2.241 10.132 474 HB2 ASP 66 1HB ASP 66 -2.669 2.192 11.764 475 HB3 ASP 66 2HB ASP 66 -3.074 3.466 10.616 476 H TRP 67 H TRP 67 -5.007 1.772 8.049 477 HA TRP 67 HA TRP 67 -3.033 -0.062 7.072 478 HB2 TRP 67 1HB TRP 67 -3.986 0.503 4.838 479 HB3 TRP 67 2HB TRP 67 -5.201 -0.005 6.008 480 HD1 TRP 67 HD1 TRP 67 -6.806 1.957 7.019 481 HE1 TRP 67 HE1 TRP 67 -7.559 4.190 5.982 482 HE3 TRP 67 HE3 TRP 67 -3.282 2.371 3.338 483 HZ2 TRP 67 HZ2 TRP 67 -6.764 5.899 3.881 484 HZ3 TRP 67 HZ3 TRP 67 -3.348 4.335 1.858 485 HH2 TRP 67 HH2 TRP 67 -5.054 6.061 2.125 486 H LYS 68 H LYS 68 -3.353 3.405 7.275 487 HA LYS 68 HA LYS 68 -1.360 4.100 5.394 488 HB2 LYS 68 1HB LYS 68 -2.449 5.571 7.796 489 HB3 LYS 68 2HB LYS 68 -1.311 6.281 6.659 490 HG2 LYS 68 1HG LYS 68 -2.903 6.064 4.862 491 HG3 LYS 68 2HG LYS 68 -4.033 5.222 5.926 492 HD2 LYS 68 1HD LYS 68 -4.391 7.174 7.231 493 HD3 LYS 68 2HD LYS 68 -3.040 8.014 6.465 494 HE2 LYS 68 1HE LYS 68 -4.213 8.196 4.407 495 HE3 LYS 68 2HE LYS 68 -5.471 7.088 4.951 496 HZ1 LYS 68 1HZ LYS 68 -6.149 9.438 5.013 497 HZ2 LYS 68 2HZ LYS 68 -4.942 9.750 6.155 498 HZ3 LYS 68 3HZ LYS 68 -6.217 8.705 6.536 499 H GLY 69 H GLY 69 -1.223 2.939 8.649 500 HA2 GLY 69 1HA GLY 69 1.501 3.829 9.089 501 HA3 GLY 69 2HA GLY 69 0.534 2.845 10.177 502 H VAL 70 H VAL 70 -0.149 0.739 8.512 503 HA VAL 70 HA VAL 70 2.200 -0.843 8.646 504 HB VAL 70 HB VAL 70 0.842 -2.593 7.523 505 HG11 VAL 70 1HG1 VAL 70 0.746 -2.436 9.916 506 HG12 VAL 70 2HG1 VAL 70 -0.446 -1.138 9.828 507 HG13 VAL 70 3HG1 VAL 70 -0.877 -2.769 9.312 508 HG21 VAL 70 1HG2 VAL 70 -1.681 -1.887 7.377 509 HG22 VAL 70 2HG2 VAL 70 -1.000 -0.278 7.141 510 HG23 VAL 70 3HG2 VAL 70 -0.584 -1.583 6.030 511 H ILE 71 H ILE 71 0.389 0.558 5.936 512 HA ILE 71 HA ILE 71 2.134 -0.507 3.939 513 HB ILE 71 HB ILE 71 0.191 1.794 3.702 514 HG12 ILE 71 1HG1 ILE 71 -0.223 -1.130 3.043 515 HG13 ILE 71 2HG1 ILE 71 -0.841 -0.338 4.488 516 HG21 ILE 71 1HG2 ILE 71 2.133 0.953 1.927 517 HG22 ILE 71 2HG2 ILE 71 0.664 0.173 1.343 518 HG23 ILE 71 3HG2 ILE 71 0.713 1.924 1.539 519 HD11 ILE 71 1HD1 ILE 71 -1.603 1.103 2.115 520 HD12 ILE 71 2HD1 ILE 71 -2.111 -0.584 2.036 521 HD13 ILE 71 3HD1 ILE 71 -2.607 0.424 3.395 522 H ARG 72 H ARG 72 3.969 0.302 3.135 523 HA ARG 72 HA ARG 72 4.782 2.996 4.010 524 HB2 ARG 72 1HB ARG 72 6.568 0.652 3.334 525 HB3 ARG 72 2HB ARG 72 7.094 2.228 3.911 526 HG2 ARG 72 1HG ARG 72 5.513 1.644 5.932 527 HG3 ARG 72 2HG ARG 72 5.816 -0.008 5.391 528 HD2 ARG 72 1HD ARG 72 8.187 0.290 5.631 529 HD3 ARG 72 2HD ARG 72 7.979 2.006 5.979 530 HE ARG 72 HE ARG 72 7.350 1.475 8.137 531 HH11 ARG 72 1HH1 ARG 72 7.610 -1.411 6.206 532 HH12 ARG 72 2HH1 ARG 72 7.522 -2.484 7.564 533 HH21 ARG 72 1HH2 ARG 72 7.233 0.072 9.932 534 HH22 ARG 72 2HH2 ARG 72 7.307 -1.639 9.683 535 H CYS 73 H CYS 73 5.583 4.418 2.525 536 HA CYS 73 HA CYS 73 5.607 3.517 -0.281 537 HB2 CYS 73 1HB CYS 73 3.678 4.913 0.025 538 HB3 CYS 73 2HB CYS 73 4.623 6.126 0.880 539 HG CYS 73 HG CYS 73 4.432 5.527 -2.449 540 H ASN 74 H ASN 74 7.670 3.416 -0.891 541 HA ASN 74 HA ASN 74 9.816 4.018 -1.345 542 HB2 ASN 74 1HB ASN 74 8.661 6.756 -0.800 543 HB3 ASN 74 2HB ASN 74 10.317 6.504 -1.343 544 HD21 ASN 74 1HD2 ASN 74 7.858 7.761 -2.554 545 HD22 ASN 74 2HD2 ASN 74 7.743 7.041 -4.120 546 H GLY 75 H GLY 75 9.051 3.230 1.344 547 HA2 GLY 75 1HA GLY 75 10.421 2.836 3.204 548 HA3 GLY 75 2HA GLY 75 11.444 4.175 2.707 549 H GLU 76 H GLU 76 8.508 5.465 2.462 550 HA GLU 76 HA GLU 76 8.434 6.298 5.288 551 HB2 GLU 76 1HB GLU 76 8.069 7.927 2.780 552 HB3 GLU 76 2HB GLU 76 7.501 8.486 4.347 553 HG2 GLU 76 1HG GLU 76 9.550 9.490 4.234 554 HG3 GLU 76 2HG GLU 76 9.950 8.004 5.093 555 H THR 77 H THR 77 6.590 5.911 6.311 556 HA THR 77 HA THR 77 4.430 4.573 5.186 557 HB THR 77 HB THR 77 3.168 5.215 7.242 558 HG1 THR 77 HG1 THR 77 3.973 6.685 8.605 559 HG21 THR 77 1HG2 THR 77 4.810 3.300 7.126 560 HG22 THR 77 2HG2 THR 77 4.503 3.937 8.742 561 HG23 THR 77 3HG2 THR 77 5.986 4.367 7.891 562 H LEU 78 H LEU 78 2.414 5.182 4.459 563 HA LEU 78 HA LEU 78 2.120 7.420 2.919 564 HB2 LEU 78 1HB LEU 78 -0.069 5.959 4.399 565 HB3 LEU 78 2HB LEU 78 -0.316 7.041 3.042 566 HG LEU 78 HG LEU 78 1.269 4.476 2.900 567 HD11 LEU 78 1HD1 LEU 78 -0.588 3.399 2.008 568 HD12 LEU 78 2HD1 LEU 78 -1.256 4.319 3.356 569 HD13 LEU 78 3HD1 LEU 78 -1.442 4.912 1.706 570 HD21 LEU 78 1HD2 LEU 78 1.345 6.664 1.239 571 HD22 LEU 78 2HD2 LEU 78 1.791 5.016 0.798 572 HD23 LEU 78 3HD2 LEU 78 0.167 5.611 0.455 573 H ARG 79 H ARG 79 1.148 7.034 6.308 574 HA ARG 79 HA ARG 79 -0.094 9.494 6.679 575 HB2 ARG 79 1HB ARG 79 -0.290 7.854 8.390 576 HB3 ARG 79 2HB ARG 79 1.455 7.735 8.575 577 HG2 ARG 79 1HG ARG 79 0.544 8.936 10.438 578 HG3 ARG 79 2HG ARG 79 1.481 10.050 9.440 579 HD2 ARG 79 1HD ARG 79 -0.406 11.299 9.815 580 HD3 ARG 79 2HD ARG 79 -0.840 10.494 8.307 581 HE ARG 79 HE ARG 79 -2.429 9.266 9.441 582 HH11 ARG 79 1HH1 ARG 79 -0.426 11.006 11.694 583 HH12 ARG 79 2HH1 ARG 79 -1.452 10.689 13.053 584 HH21 ARG 79 1HH2 ARG 79 -3.789 8.841 11.223 585 HH22 ARG 79 2HH2 ARG 79 -3.364 9.456 12.784 586 H HIS 80 H HIS 80 3.326 8.629 6.869 587 HA HIS 80 HA HIS 80 4.273 11.085 7.862 588 HB2 HIS 80 1HB HIS 80 5.579 8.953 7.782 589 HB3 HIS 80 2HB HIS 80 5.746 9.170 6.043 590 HD1 HIS 80 HD1 HIS 80 7.272 10.084 9.228 591 HD2 HIS 80 HD2 HIS 80 7.287 11.541 5.337 592 HE1 HIS 80 HE1 HIS 80 9.254 11.626 9.095 593 HE2 HIS 80 HE2 HIS 80 9.193 12.561 6.757 594 H LEU 81 H LEU 81 3.922 9.886 4.537 595 HA LEU 81 HA LEU 81 5.001 12.112 3.229 596 HB2 LEU 81 1HB LEU 81 2.822 10.258 2.264 597 HB3 LEU 81 2HB LEU 81 3.782 11.321 1.253 598 HG LEU 81 HG LEU 81 5.012 9.127 2.908 599 HD11 LEU 81 1HD1 LEU 81 5.141 8.036 0.537 600 HD12 LEU 81 2HD1 LEU 81 3.701 7.838 1.535 601 HD13 LEU 81 3HD1 LEU 81 3.712 9.022 0.229 602 HD21 LEU 81 1HD2 LEU 81 6.944 9.488 1.663 603 HD22 LEU 81 2HD2 LEU 81 6.081 10.351 0.391 604 HD23 LEU 81 3HD2 LEU 81 6.340 11.118 1.957 605 H GLU 82 H GLU 82 1.679 11.402 4.229 606 HA GLU 82 HA GLU 82 0.426 13.605 3.053 607 HB2 GLU 82 1HB GLU 82 -0.696 11.615 4.118 608 HB3 GLU 82 2HB GLU 82 -0.351 12.340 5.682 609 HG2 GLU 82 1HG GLU 82 -2.613 12.829 5.061 610 HG3 GLU 82 2HG GLU 82 -1.667 14.316 5.028 611 H GLN 83 H GLN 83 1.967 13.257 6.222 612 HA GLN 83 HA GLN 83 1.276 15.744 7.285 613 HB2 GLN 83 1HB GLN 83 3.642 13.939 7.751 614 HB3 GLN 83 2HB GLN 83 3.426 15.442 8.638 615 HG2 GLN 83 1HG GLN 83 1.223 14.607 9.411 616 HG3 GLN 83 2HG GLN 83 1.579 13.069 8.627 617 HE21 GLN 83 1HE2 GLN 83 2.664 11.586 9.736 618 HE22 GLN 83 2HE2 GLN 83 3.462 11.848 11.246 619 H LYS 84 H LYS 84 3.877 14.810 5.115 620 HA LYS 84 HA LYS 84 5.069 17.451 5.177 621 HB2 LYS 84 1HB LYS 84 5.697 14.961 3.589 622 HB3 LYS 84 2HB LYS 84 6.576 16.472 3.404 623 HG2 LYS 84 1HG LYS 84 7.603 16.288 5.443 624 HG3 LYS 84 2HG LYS 84 6.319 15.284 6.121 625 HD2 LYS 84 1HD LYS 84 7.926 13.689 5.836 626 HD3 LYS 84 2HD LYS 84 7.153 13.602 4.251 627 HE2 LYS 84 1HE LYS 84 9.384 13.727 3.680 628 HE3 LYS 84 2HE LYS 84 8.900 15.420 3.603 629 HZ1 LYS 84 1HZ LYS 84 9.982 14.337 6.113 630 HZ2 LYS 84 2HZ LYS 84 10.024 15.922 5.525 631 HZ3 LYS 84 3HZ LYS 84 11.044 14.747 4.862 632 H GLY 85 H GLY 85 2.285 16.609 4.007 633 HA2 GLY 85 1HA GLY 85 0.919 17.416 2.347 634 HA3 GLY 85 2HA GLY 85 2.139 18.652 2.076 635 H LEU 86 H LEU 86 2.657 15.185 1.760 636 HA LEU 86 HA LEU 86 3.307 15.620 -1.068 637 HB2 LEU 86 1HB LEU 86 3.962 13.220 0.638 638 HB3 LEU 86 2HB LEU 86 4.610 13.600 -0.947 639 HG LEU 86 HG LEU 86 5.089 15.330 1.474 640 HD11 LEU 86 1HD1 LEU 86 6.594 12.951 0.449 641 HD12 LEU 86 2HD1 LEU 86 7.410 14.244 1.327 642 HD13 LEU 86 3HD1 LEU 86 6.111 13.336 2.100 643 HD21 LEU 86 1HD2 LEU 86 7.145 15.827 -0.095 644 HD22 LEU 86 2HD2 LEU 86 6.028 15.291 -1.349 645 HD23 LEU 86 3HD2 LEU 86 5.605 16.657 -0.316 646 H LEU 87 H LEU 87 1.291 13.719 1.082 647 HA LEU 87 HA LEU 87 0.064 12.394 -1.237 648 HB2 LEU 87 1HB LEU 87 0.933 10.981 0.632 649 HB3 LEU 87 2HB LEU 87 -0.250 11.726 1.690 650 HG LEU 87 HG LEU 87 -1.929 10.861 -0.183 651 HD11 LEU 87 1HD1 LEU 87 -0.247 8.478 -0.276 652 HD12 LEU 87 2HD1 LEU 87 -1.209 9.242 -1.541 653 HD13 LEU 87 3HD1 LEU 87 0.407 9.846 -1.176 654 HD21 LEU 87 1HD2 LEU 87 -2.616 9.809 1.646 655 HD22 LEU 87 2HD2 LEU 87 -1.416 8.553 1.342 656 HD23 LEU 87 3HD2 LEU 87 -1.009 9.932 2.362 657 H PHE 88 H PHE 88 -2.229 12.299 -1.409 658 HA PHE 88 HA PHE 88 -3.515 14.718 -0.417 659 HB2 PHE 88 1HB PHE 88 -4.994 14.536 -2.182 660 HB3 PHE 88 2HB PHE 88 -3.571 13.757 -2.865 661 HD1 PHE 88 HD1 PHE 88 -3.506 11.113 -2.054 662 HD2 PHE 88 HD2 PHE 88 -6.954 13.511 -2.747 663 HE1 PHE 88 HE1 PHE 88 -4.826 9.082 -2.492 664 HE2 PHE 88 HE2 PHE 88 -8.280 11.485 -3.184 665 HZ PHE 88 HZ PHE 88 -7.216 9.267 -3.056 666 H SER 89 H SER 89 -3.793 11.223 -0.193 667 HA SER 89 HA SER 89 -5.108 9.855 1.074 668 HB2 SER 89 1HB SER 89 -5.113 10.328 3.375 669 HB3 SER 89 2HB SER 89 -3.711 11.214 2.775 670 HG SER 89 HG SER 89 -4.700 13.064 3.142 671 H GLY 90 H GLY 90 -6.568 11.246 -0.825 672 HA2 GLY 90 1HA GLY 90 -8.865 11.284 -1.275 673 HA3 GLY 90 2HA GLY 90 -9.181 11.251 0.454 674 HA PRO 91 HA PRO 91 -9.535 15.609 -1.471 675 HB2 PRO 91 1HB PRO 91 -12.236 15.754 -1.703 676 HB3 PRO 91 2HB PRO 91 -11.189 15.180 -3.007 677 HG2 PRO 91 1HG PRO 91 -12.795 13.603 -1.032 678 HG3 PRO 91 2HG PRO 91 -12.594 13.341 -2.774 679 HD2 PRO 91 1HD PRO 91 -11.228 11.917 -0.920 680 HD3 PRO 91 2HD PRO 91 -10.548 12.313 -2.512 681 H SER 92 H SER 92 -9.471 17.131 0.049 682 HA SER 92 HA SER 92 -10.932 16.682 2.557 683 HB2 SER 92 1HB SER 92 -8.475 18.286 1.874 684 HB3 SER 92 2HB SER 92 -9.358 18.554 3.376 685 HG SER 92 HG SER 92 -9.077 16.001 3.294 686 H SER 93 H SER 93 -12.909 17.564 2.375 687 HA SER 93 HA SER 93 -13.062 20.443 1.927 688 HB2 SER 93 1HB SER 93 -14.316 18.367 0.196 689 HB3 SER 93 2HB SER 93 -15.266 19.807 0.562 690 HG SER 93 HG SER 93 -13.232 19.526 -1.164 691 H GLY 94 H GLY 94 -15.041 21.398 2.719 692 HA2 GLY 94 1HA GLY 94 -17.249 20.447 3.819 693 HA3 GLY 94 2HA GLY 94 -16.075 19.910 5.011 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 2.117 16.718 -38.017 2 HA2 GLY 1 1HA GLY 1 1.187 18.765 -36.777 3 HA3 GLY 1 2HA GLY 1 0.411 17.556 -35.765 4 H SER 2 H SER 2 2.030 19.385 -34.590 5 HA SER 2 HA SER 2 4.671 18.205 -34.264 6 HB2 SER 2 1HB SER 2 4.055 20.759 -34.351 7 HB3 SER 2 2HB SER 2 3.694 20.528 -32.641 8 HG SER 2 HG SER 2 6.128 19.597 -33.688 9 H SER 3 H SER 3 4.937 16.593 -32.883 10 HA SER 3 HA SER 3 3.039 15.901 -30.892 11 HB2 SER 3 1HB SER 3 4.837 14.441 -32.145 12 HB3 SER 3 2HB SER 3 5.860 14.899 -30.784 13 HG SER 3 HG SER 3 4.398 13.949 -29.392 14 H GLY 4 H GLY 4 2.973 16.299 -28.740 15 HA2 GLY 4 1HA GLY 4 4.181 18.572 -27.679 16 HA3 GLY 4 2HA GLY 4 3.440 17.295 -26.726 17 H SER 5 H SER 5 5.705 18.795 -25.933 18 HA SER 5 HA SER 5 7.975 16.993 -26.279 19 HB2 SER 5 1HB SER 5 9.330 18.718 -25.371 20 HB3 SER 5 2HB SER 5 8.166 19.538 -26.411 21 HG SER 5 HG SER 5 8.360 20.569 -24.383 22 H SER 6 H SER 6 9.001 15.935 -24.585 23 HA SER 6 HA SER 6 7.347 15.604 -22.176 24 HB2 SER 6 1HB SER 6 9.111 13.757 -23.727 25 HB3 SER 6 2HB SER 6 8.923 13.482 -21.995 26 HG SER 6 HG SER 6 7.003 12.730 -22.365 27 H GLY 7 H GLY 7 8.225 15.781 -20.144 28 HA2 GLY 7 1HA GLY 7 11.022 16.730 -20.029 29 HA3 GLY 7 2HA GLY 7 9.738 17.453 -19.072 30 H ASN 8 H ASN 8 9.474 16.737 -17.061 31 HA ASN 8 HA ASN 8 9.997 13.994 -16.349 32 HB2 ASN 8 1HB ASN 8 12.266 14.951 -16.273 33 HB3 ASN 8 2HB ASN 8 11.704 16.190 -15.154 34 HD21 ASN 8 1HD2 ASN 8 11.908 15.791 -13.071 35 HD22 ASN 8 2HD2 ASN 8 12.172 14.240 -12.358 36 H ASP 9 H ASP 9 8.335 13.501 -15.096 37 HA ASP 9 HA ASP 9 7.340 15.535 -13.208 38 HB2 ASP 9 1HB ASP 9 5.860 13.415 -14.762 39 HB3 ASP 9 2HB ASP 9 5.153 14.226 -13.367 40 H ALA 10 H ALA 10 6.998 14.963 -11.104 41 HA ALA 10 HA ALA 10 8.251 12.492 -10.232 42 HB1 ALA 10 1HB ALA 10 8.475 13.457 -8.157 43 HB2 ALA 10 2HB ALA 10 8.507 14.879 -9.200 44 HB3 ALA 10 3HB ALA 10 7.028 14.448 -8.341 45 H VAL 11 H VAL 11 7.246 11.007 -8.782 46 HA VAL 11 HA VAL 11 4.839 9.976 -9.519 47 HB VAL 11 HB VAL 11 4.710 8.899 -7.277 48 HG11 VAL 11 1HG1 VAL 11 5.991 7.480 -8.434 49 HG12 VAL 11 2HG1 VAL 11 6.944 8.784 -9.146 50 HG13 VAL 11 3HG1 VAL 11 7.345 8.171 -7.541 51 HG21 VAL 11 1HG2 VAL 11 6.547 11.069 -6.634 52 HG22 VAL 11 2HG2 VAL 11 5.538 10.088 -5.572 53 HG23 VAL 11 3HG2 VAL 11 7.115 9.491 -6.089 54 H ASP 12 H ASP 12 5.409 12.615 -7.291 55 HA ASP 12 HA ASP 12 3.033 12.812 -5.941 56 HB2 ASP 12 1HB ASP 12 4.885 14.915 -7.029 57 HB3 ASP 12 2HB ASP 12 3.424 15.365 -6.154 58 H PHE 13 H PHE 13 3.719 13.795 -9.259 59 HA PHE 13 HA PHE 13 1.192 15.024 -9.712 60 HB2 PHE 13 1HB PHE 13 3.282 15.455 -11.046 61 HB3 PHE 13 2HB PHE 13 3.065 13.873 -11.787 62 HD1 PHE 13 HD2 PHE 13 1.238 13.466 -13.339 63 HD2 PHE 13 HD1 PHE 13 1.865 17.308 -11.618 64 HE1 PHE 13 HE2 PHE 13 -0.243 14.463 -15.032 65 HE2 PHE 13 HE1 PHE 13 0.384 18.311 -13.308 66 HZ PHE 13 HZ PHE 13 -0.671 16.888 -15.019 67 H SER 14 H SER 14 2.543 11.933 -10.875 68 HA SER 14 HA SER 14 0.260 10.938 -12.081 69 HB2 SER 14 1HB SER 14 1.274 8.755 -11.928 70 HB3 SER 14 2HB SER 14 2.559 9.933 -12.199 71 HG SER 14 HG SER 14 2.141 8.272 -10.081 72 HA PRO 15 HA PRO 15 -2.531 10.220 -8.740 73 HB2 PRO 15 1HB PRO 15 -4.235 8.544 -10.028 74 HB3 PRO 15 2HB PRO 15 -4.192 10.285 -10.327 75 HG2 PRO 15 1HG PRO 15 -2.954 8.062 -11.903 76 HG3 PRO 15 2HG PRO 15 -3.823 9.495 -12.482 77 HD2 PRO 15 1HD PRO 15 -1.120 9.330 -12.483 78 HD3 PRO 15 2HD PRO 15 -1.983 10.863 -12.241 79 H THR 16 H THR 16 -0.294 8.072 -9.841 80 HA THR 16 HA THR 16 -1.216 5.953 -8.010 81 HB THR 16 HB THR 16 0.100 4.350 -9.335 82 HG1 THR 16 HG1 THR 16 1.454 5.058 -10.793 83 HG21 THR 16 1HG2 THR 16 -2.069 5.947 -10.641 84 HG22 THR 16 2HG2 THR 16 -2.120 4.306 -9.998 85 HG23 THR 16 3HG2 THR 16 -1.294 4.630 -11.521 86 H LEU 17 H LEU 17 0.192 5.172 -6.498 87 HA LEU 17 HA LEU 17 2.921 6.257 -6.477 88 HB2 LEU 17 1HB LEU 17 1.146 6.125 -4.041 89 HB3 LEU 17 2HB LEU 17 2.775 6.769 -4.121 90 HG LEU 17 HG LEU 17 0.384 7.952 -5.536 91 HD11 LEU 17 1HD1 LEU 17 -0.135 8.693 -3.489 92 HD12 LEU 17 2HD1 LEU 17 1.449 8.281 -2.832 93 HD13 LEU 17 3HD1 LEU 17 1.226 9.791 -3.715 94 HD21 LEU 17 1HD2 LEU 17 2.601 9.722 -5.167 95 HD22 LEU 17 2HD2 LEU 17 3.143 8.262 -5.993 96 HD23 LEU 17 3HD2 LEU 17 1.818 9.214 -6.663 97 HA PRO 18 HA PRO 18 3.974 2.040 -5.711 98 HB2 PRO 18 1HB PRO 18 6.537 2.434 -4.906 99 HB3 PRO 18 2HB PRO 18 6.030 2.562 -6.595 100 HG2 PRO 18 1HG PRO 18 6.489 4.732 -4.584 101 HG3 PRO 18 2HG PRO 18 6.967 4.669 -6.291 102 HD2 PRO 18 1HD PRO 18 4.798 6.046 -5.434 103 HD3 PRO 18 2HD PRO 18 4.868 5.271 -7.030 104 H VAL 19 H VAL 19 3.029 1.114 -3.987 105 HA VAL 19 HA VAL 19 3.916 1.947 -1.302 106 HB VAL 19 HB VAL 19 1.792 1.044 -0.445 107 HG11 VAL 19 1HG1 VAL 19 0.288 2.770 -1.638 108 HG12 VAL 19 2HG1 VAL 19 1.705 3.346 -0.758 109 HG13 VAL 19 3HG1 VAL 19 1.753 3.208 -2.516 110 HG21 VAL 19 1HG2 VAL 19 1.199 -0.624 -1.995 111 HG22 VAL 19 2HG2 VAL 19 -0.024 0.632 -2.180 112 HG23 VAL 19 3HG2 VAL 19 1.283 0.495 -3.356 113 H THR 20 H THR 20 3.993 0.237 0.330 114 HA THR 20 HA THR 20 4.189 -2.498 -0.621 115 HB THR 20 HB THR 20 6.479 -2.801 0.319 116 HG1 THR 20 HG1 THR 20 6.871 -1.082 1.596 117 HG21 THR 20 1HG2 THR 20 6.269 -2.630 -2.062 118 HG22 THR 20 2HG2 THR 20 7.667 -1.672 -1.576 119 HG23 THR 20 3HG2 THR 20 6.148 -0.873 -1.977 120 H CYS 21 H CYS 21 3.650 -3.931 0.925 121 HA CYS 21 HA CYS 21 3.663 -3.033 3.724 122 HB2 CYS 21 1HB CYS 21 1.367 -2.907 2.640 123 HB3 CYS 21 2HB CYS 21 1.423 -4.662 2.525 124 HG CYS 21 HG CYS 21 2.036 -3.455 5.593 125 H GLY 22 H GLY 22 5.242 -4.280 4.550 126 HA2 GLY 22 1HA GLY 22 6.297 -6.169 5.318 127 HA3 GLY 22 2HA GLY 22 4.800 -7.030 4.991 128 H LYS 23 H LYS 23 4.813 -8.510 3.428 129 HA LYS 23 HA LYS 23 7.154 -8.599 1.652 130 HB2 LYS 23 1HB LYS 23 6.751 -10.971 1.431 131 HB3 LYS 23 2HB LYS 23 6.791 -10.552 3.139 132 HG2 LYS 23 1HG LYS 23 4.479 -10.807 3.375 133 HG3 LYS 23 2HG LYS 23 4.207 -10.751 1.632 134 HD2 LYS 23 1HD LYS 23 5.748 -12.888 1.662 135 HD3 LYS 23 2HD LYS 23 5.198 -12.988 3.337 136 HE2 LYS 23 1HE LYS 23 2.973 -13.271 2.716 137 HE3 LYS 23 2HE LYS 23 3.237 -12.607 1.105 138 HZ1 LYS 23 1HZ LYS 23 2.967 -14.959 0.935 139 HZ2 LYS 23 2HZ LYS 23 4.148 -15.246 2.111 140 HZ3 LYS 23 3HZ LYS 23 4.588 -14.600 0.611 141 H ALA 24 H ALA 24 4.436 -7.158 1.407 142 HA ALA 24 HA ALA 24 3.693 -8.258 -1.224 143 HB1 ALA 24 1HB ALA 24 1.809 -6.366 -0.054 144 HB2 ALA 24 2HB ALA 24 1.531 -7.968 -0.740 145 HB3 ALA 24 3HB ALA 24 2.059 -7.805 0.934 146 H LYS 25 H LYS 25 3.260 -6.790 -2.934 147 HA LYS 25 HA LYS 25 4.091 -4.016 -2.557 148 HB2 LYS 25 1HB LYS 25 5.291 -5.783 -4.696 149 HB3 LYS 25 2HB LYS 25 5.641 -4.080 -4.428 150 HG2 LYS 25 1HG LYS 25 6.845 -4.507 -2.482 151 HG3 LYS 25 2HG LYS 25 6.142 -6.115 -2.289 152 HD2 LYS 25 1HD LYS 25 8.232 -6.644 -3.089 153 HD3 LYS 25 2HD LYS 25 7.310 -6.566 -4.592 154 HE2 LYS 25 1HE LYS 25 8.674 -4.120 -3.547 155 HE3 LYS 25 2HE LYS 25 9.608 -5.347 -4.400 156 HZ1 LYS 25 1HZ LYS 25 8.986 -4.061 -6.144 157 HZ2 LYS 25 2HZ LYS 25 7.553 -3.537 -5.416 158 HZ3 LYS 25 3HZ LYS 25 7.636 -5.080 -6.105 159 H GLY 26 H GLY 26 2.988 -2.599 -3.809 160 HA2 GLY 26 1HA GLY 26 1.672 -3.453 -6.240 161 HA3 GLY 26 2HA GLY 26 0.575 -3.099 -4.913 162 H THR 27 H THR 27 -0.359 -1.366 -6.029 163 HA THR 27 HA THR 27 1.173 1.102 -5.832 164 HB THR 27 HB THR 27 -0.182 0.294 -8.413 165 HG1 THR 27 HG1 THR 27 2.578 0.801 -7.928 166 HG21 THR 27 1HG2 THR 27 1.385 2.523 -8.877 167 HG22 THR 27 2HG2 THR 27 0.635 2.866 -7.318 168 HG23 THR 27 3HG2 THR 27 -0.371 2.504 -8.721 169 H LEU 28 H LEU 28 -0.042 2.641 -4.950 170 HA LEU 28 HA LEU 28 -2.907 2.201 -4.686 171 HB2 LEU 28 1HB LEU 28 -1.787 2.792 -2.667 172 HB3 LEU 28 2HB LEU 28 -0.995 4.159 -3.428 173 HG LEU 28 HG LEU 28 -3.534 4.924 -3.779 174 HD11 LEU 28 1HD1 LEU 28 -5.055 3.969 -2.460 175 HD12 LEU 28 2HD1 LEU 28 -3.891 2.661 -2.250 176 HD13 LEU 28 3HD1 LEU 28 -3.969 3.970 -1.071 177 HD21 LEU 28 1HD2 LEU 28 -1.402 5.539 -2.002 178 HD22 LEU 28 2HD2 LEU 28 -2.698 6.588 -2.576 179 HD23 LEU 28 3HD2 LEU 28 -2.919 5.637 -1.108 180 H PHE 29 H PHE 29 -4.437 3.302 -5.745 181 HA PHE 29 HA PHE 29 -3.562 5.466 -7.534 182 HB2 PHE 29 1HB PHE 29 -5.875 3.535 -7.715 183 HB3 PHE 29 2HB PHE 29 -5.722 4.944 -8.760 184 HD1 PHE 29 HD2 PHE 29 -3.444 2.231 -7.570 185 HD2 PHE 29 HD1 PHE 29 -4.985 4.444 -10.863 186 HE1 PHE 29 HE2 PHE 29 -2.024 0.933 -9.103 187 HE2 PHE 29 HE1 PHE 29 -3.567 3.149 -12.402 188 HZ PHE 29 HZ PHE 29 -2.083 1.391 -11.522 189 H GLN 30 H GLN 30 -3.837 7.329 -6.439 190 HA GLN 30 HA GLN 30 -5.529 7.989 -4.433 191 HB2 GLN 30 1HB GLN 30 -5.117 9.947 -6.671 192 HB3 GLN 30 2HB GLN 30 -5.168 10.247 -4.939 193 HG2 GLN 30 1HG GLN 30 -3.025 8.725 -4.947 194 HG3 GLN 30 2HG GLN 30 -2.939 9.246 -6.629 195 HE21 GLN 30 1HE2 GLN 30 -1.992 9.948 -3.555 196 HE22 GLN 30 2HE2 GLN 30 -1.619 11.624 -3.746 197 H GLU 31 H GLU 31 -6.327 7.847 -7.861 198 HA GLU 31 HA GLU 31 -8.884 9.011 -7.701 199 HB2 GLU 31 1HB GLU 31 -9.300 7.972 -9.873 200 HB3 GLU 31 2HB GLU 31 -7.701 8.699 -9.823 201 HG2 GLU 31 1HG GLU 31 -6.684 6.531 -9.500 202 HG3 GLU 31 2HG GLU 31 -8.273 5.770 -9.436 203 H LYS 32 H LYS 32 -7.818 5.636 -7.497 204 HA LYS 32 HA LYS 32 -10.501 4.670 -7.063 205 HB2 LYS 32 1HB LYS 32 -7.784 3.432 -7.221 206 HB3 LYS 32 2HB LYS 32 -9.087 2.524 -6.465 207 HG2 LYS 32 1HG LYS 32 -10.212 2.234 -8.422 208 HG3 LYS 32 2HG LYS 32 -9.605 3.735 -9.124 209 HD2 LYS 32 1HD LYS 32 -7.331 2.600 -9.202 210 HD3 LYS 32 2HD LYS 32 -8.186 1.096 -8.848 211 HE2 LYS 32 1HE LYS 32 -8.786 2.912 -11.181 212 HE3 LYS 32 2HE LYS 32 -7.784 1.463 -11.269 213 HZ1 LYS 32 1HZ LYS 32 -10.382 1.045 -10.085 214 HZ2 LYS 32 2HZ LYS 32 -9.568 0.138 -11.258 215 HZ3 LYS 32 3HZ LYS 32 -10.434 1.520 -11.708 216 H LEU 33 H LEU 33 -8.283 6.219 -5.150 217 HA LEU 33 HA LEU 33 -9.015 4.789 -2.704 218 HB2 LEU 33 1HB LEU 33 -6.633 5.379 -3.147 219 HB3 LEU 33 2HB LEU 33 -7.076 7.074 -3.065 220 HG LEU 33 HG LEU 33 -7.770 6.771 -0.718 221 HD11 LEU 33 1HD1 LEU 33 -7.242 3.953 -1.388 222 HD12 LEU 33 2HD1 LEU 33 -6.664 4.492 0.188 223 HD13 LEU 33 3HD1 LEU 33 -8.369 4.657 -0.229 224 HD21 LEU 33 1HD2 LEU 33 -5.641 6.931 0.142 225 HD22 LEU 33 2HD2 LEU 33 -5.004 5.668 -0.911 226 HD23 LEU 33 3HD2 LEU 33 -5.351 7.269 -1.564 227 H LYS 34 H LYS 34 -9.242 7.972 -4.213 228 HA LYS 34 HA LYS 34 -10.324 9.447 -2.146 229 HB2 LYS 34 1HB LYS 34 -11.522 10.724 -4.009 230 HB3 LYS 34 2HB LYS 34 -9.769 10.620 -4.108 231 HG2 LYS 34 1HG LYS 34 -9.811 9.258 -5.936 232 HG3 LYS 34 2HG LYS 34 -11.374 8.554 -5.514 233 HD2 LYS 34 1HD LYS 34 -11.961 9.867 -7.307 234 HD3 LYS 34 2HD LYS 34 -12.241 10.988 -5.972 235 HE2 LYS 34 1HE LYS 34 -9.705 11.590 -6.427 236 HE3 LYS 34 2HE LYS 34 -10.093 10.968 -8.031 237 HZ1 LYS 34 1HZ LYS 34 -11.866 12.947 -6.770 238 HZ2 LYS 34 2HZ LYS 34 -11.602 12.641 -8.412 239 HZ3 LYS 34 3HZ LYS 34 -10.433 13.463 -7.507 240 H GLN 35 H GLN 35 -11.921 7.184 -4.324 241 HA GLN 35 HA GLN 35 -14.576 7.748 -3.649 242 HB2 GLN 35 1HB GLN 35 -13.444 5.045 -4.386 243 HB3 GLN 35 2HB GLN 35 -15.115 5.569 -4.555 244 HG2 GLN 35 1HG GLN 35 -14.380 7.267 -6.188 245 HG3 GLN 35 2HG GLN 35 -12.740 6.633 -6.065 246 HE21 GLN 35 1HE2 GLN 35 -15.937 5.115 -6.311 247 HE22 GLN 35 2HE2 GLN 35 -15.560 4.144 -7.689 248 H GLY 36 H GLY 36 -12.398 5.252 -2.324 249 HA2 GLY 36 1HA GLY 36 -13.266 5.581 0.332 250 HA3 GLY 36 2HA GLY 36 -14.176 4.263 -0.393 251 H ALA 37 H ALA 37 -12.243 4.199 1.802 252 HA ALA 37 HA ALA 37 -9.836 2.998 0.817 253 HB1 ALA 37 1HB ALA 37 -10.985 3.646 3.447 254 HB2 ALA 37 2HB ALA 37 -9.898 2.256 3.412 255 HB3 ALA 37 3HB ALA 37 -9.336 3.830 2.848 256 H SER 38 H SER 38 -12.824 1.884 0.585 257 HA SER 38 HA SER 38 -12.209 -0.872 1.388 258 HB2 SER 38 1HB SER 38 -14.646 -1.275 1.049 259 HB3 SER 38 2HB SER 38 -14.315 -0.037 2.260 260 HG SER 38 HG SER 38 -15.710 1.027 1.066 261 H LYS 39 H LYS 39 -12.778 1.167 -1.358 262 HA LYS 39 HA LYS 39 -13.248 -0.939 -3.236 263 HB2 LYS 39 1HB LYS 39 -12.296 1.869 -3.813 264 HB3 LYS 39 2HB LYS 39 -13.095 0.769 -4.929 265 HG2 LYS 39 1HG LYS 39 -14.525 1.511 -2.435 266 HG3 LYS 39 2HG LYS 39 -14.399 2.714 -3.721 267 HD2 LYS 39 1HD LYS 39 -15.421 -0.093 -4.133 268 HD3 LYS 39 2HD LYS 39 -16.461 1.297 -3.811 269 HE2 LYS 39 1HE LYS 39 -15.274 2.376 -5.826 270 HE3 LYS 39 2HE LYS 39 -14.745 0.738 -6.208 271 HZ1 LYS 39 1HZ LYS 39 -16.752 0.211 -6.972 272 HZ2 LYS 39 2HZ LYS 39 -17.106 1.865 -6.952 273 HZ3 LYS 39 3HZ LYS 39 -17.549 0.890 -5.643 274 H LYS 40 H LYS 40 -11.845 -1.933 -4.625 275 HA LYS 40 HA LYS 40 -9.180 -2.283 -3.821 276 HB2 LYS 40 1HB LYS 40 -10.275 -2.845 -6.577 277 HB3 LYS 40 2HB LYS 40 -8.911 -3.627 -5.790 278 HG2 LYS 40 1HG LYS 40 -11.552 -3.794 -4.453 279 HG3 LYS 40 2HG LYS 40 -11.301 -4.751 -5.916 280 HD2 LYS 40 1HD LYS 40 -9.143 -5.554 -4.800 281 HD3 LYS 40 2HD LYS 40 -9.805 -4.874 -3.312 282 HE2 LYS 40 1HE LYS 40 -10.459 -7.112 -3.245 283 HE3 LYS 40 2HE LYS 40 -11.892 -6.271 -3.836 284 HZ1 LYS 40 1HZ LYS 40 -11.459 -8.268 -5.114 285 HZ2 LYS 40 2HZ LYS 40 -9.913 -7.713 -5.518 286 HZ3 LYS 40 3HZ LYS 40 -11.281 -6.898 -6.090 287 H CYS 41 H CYS 41 -7.771 -0.640 -3.813 288 HA CYS 41 HA CYS 41 -7.516 0.962 -6.273 289 HB2 CYS 41 1HB CYS 41 -6.615 2.774 -4.846 290 HB3 CYS 41 2HB CYS 41 -8.269 2.348 -4.425 291 HG CYS 41 HG CYS 41 -7.832 1.810 -1.951 292 H ILE 42 H ILE 42 -5.907 -0.946 -3.858 293 HA ILE 42 HA ILE 42 -3.252 -0.282 -4.798 294 HB ILE 42 HB ILE 42 -4.204 -2.337 -2.802 295 HG12 ILE 42 1HG1 ILE 42 -2.623 0.191 -2.326 296 HG13 ILE 42 2HG1 ILE 42 -4.381 0.136 -2.245 297 HG21 ILE 42 1HG2 ILE 42 -1.733 -2.389 -2.187 298 HG22 ILE 42 2HG2 ILE 42 -2.212 -3.231 -3.660 299 HG23 ILE 42 3HG2 ILE 42 -1.444 -1.647 -3.761 300 HD11 ILE 42 1HD1 ILE 42 -2.833 -1.809 -0.623 301 HD12 ILE 42 2HD1 ILE 42 -2.899 -0.126 -0.098 302 HD13 ILE 42 3HD1 ILE 42 -4.390 -1.047 -0.299 303 H GLN 43 H GLN 43 -2.527 -1.093 -6.646 304 HA GLN 43 HA GLN 43 -3.475 -3.721 -7.533 305 HB2 GLN 43 1HB GLN 43 -3.516 -1.564 -8.988 306 HB3 GLN 43 2HB GLN 43 -1.798 -1.871 -9.198 307 HG2 GLN 43 1HG GLN 43 -2.362 -4.129 -10.054 308 HG3 GLN 43 2HG GLN 43 -4.067 -3.690 -9.965 309 HE21 GLN 43 1HE2 GLN 43 -4.634 -3.616 -12.048 310 HE22 GLN 43 2HE2 GLN 43 -3.896 -2.606 -13.240 311 H ASN 44 H ASN 44 -2.213 -5.450 -7.389 312 HA ASN 44 HA ASN 44 0.469 -5.215 -6.388 313 HB2 ASN 44 1HB ASN 44 0.461 -7.644 -6.335 314 HB3 ASN 44 2HB ASN 44 -1.060 -7.039 -5.685 315 HD21 ASN 44 1HD2 ASN 44 -1.350 -9.467 -6.271 316 HD22 ASN 44 2HD2 ASN 44 -2.083 -9.754 -7.810 317 H GLU 45 H GLU 45 2.163 -6.749 -7.460 318 HA GLU 45 HA GLU 45 2.904 -5.623 -9.908 319 HB2 GLU 45 1HB GLU 45 3.816 -8.266 -8.758 320 HB3 GLU 45 2HB GLU 45 4.654 -7.321 -9.981 321 HG2 GLU 45 1HG GLU 45 4.542 -5.469 -8.093 322 HG3 GLU 45 2HG GLU 45 4.448 -6.892 -7.057 323 H ALA 46 H ALA 46 0.852 -8.304 -9.177 324 HA ALA 46 HA ALA 46 0.996 -9.513 -11.780 325 HB1 ALA 46 1HB ALA 46 0.309 -11.166 -10.432 326 HB2 ALA 46 2HB ALA 46 -0.374 -10.050 -9.249 327 HB3 ALA 46 3HB ALA 46 -1.299 -10.487 -10.685 328 H GLY 47 H GLY 47 -0.572 -6.803 -10.495 329 HA2 GLY 47 1HA GLY 47 -1.727 -5.266 -11.903 330 HA3 GLY 47 2HA GLY 47 -2.224 -6.614 -12.916 331 H ASP 48 H ASP 48 -2.858 -8.052 -10.260 332 HA ASP 48 HA ASP 48 -5.636 -7.451 -10.271 333 HB2 ASP 48 1HB ASP 48 -3.871 -9.225 -8.612 334 HB3 ASP 48 2HB ASP 48 -5.550 -8.961 -8.147 335 H TRP 49 H TRP 49 -6.775 -6.051 -9.093 336 HA TRP 49 HA TRP 49 -5.399 -4.233 -7.339 337 HB2 TRP 49 1HB TRP 49 -8.344 -4.443 -8.004 338 HB3 TRP 49 2HB TRP 49 -7.574 -3.101 -7.162 339 HD1 TRP 49 HD1 TRP 49 -7.662 -4.759 -10.645 340 HE1 TRP 49 HE1 TRP 49 -6.976 -2.997 -12.391 341 HE3 TRP 49 HE3 TRP 49 -6.395 -0.941 -7.490 342 HZ2 TRP 49 HZ2 TRP 49 -6.024 -0.340 -12.426 343 HZ3 TRP 49 HZ3 TRP 49 -5.605 1.178 -8.461 344 HH2 TRP 49 HH2 TRP 49 -5.424 1.470 -10.878 345 H LEU 50 H LEU 50 -6.016 -3.786 -5.144 346 HA LEU 50 HA LEU 50 -7.478 -5.895 -3.749 347 HB2 LEU 50 1HB LEU 50 -4.678 -5.038 -3.009 348 HB3 LEU 50 2HB LEU 50 -5.696 -6.097 -2.052 349 HG LEU 50 HG LEU 50 -5.103 -6.878 -4.868 350 HD11 LEU 50 1HD1 LEU 50 -2.906 -6.919 -4.566 351 HD12 LEU 50 2HD1 LEU 50 -3.076 -6.383 -2.895 352 HD13 LEU 50 3HD1 LEU 50 -3.153 -8.101 -3.282 353 HD21 LEU 50 1HD2 LEU 50 -5.826 -8.891 -4.203 354 HD22 LEU 50 2HD2 LEU 50 -4.942 -8.813 -2.679 355 HD23 LEU 50 3HD2 LEU 50 -6.510 -8.020 -2.830 356 H THR 51 H THR 51 -8.473 -5.235 -1.872 357 HA THR 51 HA THR 51 -8.950 -2.441 -1.596 358 HB THR 51 HB THR 51 -10.374 -3.041 0.299 359 HG1 THR 51 HG1 THR 51 -10.161 -4.906 1.309 360 HG21 THR 51 1HG2 THR 51 -10.912 -5.223 -1.657 361 HG22 THR 51 2HG2 THR 51 -10.923 -3.556 -2.233 362 HG23 THR 51 3HG2 THR 51 -12.019 -4.051 -0.943 363 H VAL 52 H VAL 52 -8.399 -1.049 0.080 364 HA VAL 52 HA VAL 52 -5.886 -0.922 1.022 365 HB VAL 52 HB VAL 52 -8.341 -0.077 2.566 366 HG11 VAL 52 1HG1 VAL 52 -5.433 0.623 2.906 367 HG12 VAL 52 2HG1 VAL 52 -6.746 1.589 3.583 368 HG13 VAL 52 3HG1 VAL 52 -6.527 -0.085 4.095 369 HG21 VAL 52 1HG2 VAL 52 -7.953 0.800 0.194 370 HG22 VAL 52 2HG2 VAL 52 -8.207 1.989 1.470 371 HG23 VAL 52 3HG2 VAL 52 -6.578 1.669 0.876 372 H LYS 53 H LYS 53 -8.440 -2.919 2.327 373 HA LYS 53 HA LYS 53 -6.915 -3.674 4.666 374 HB2 LYS 53 1HB LYS 53 -9.343 -3.528 4.825 375 HB3 LYS 53 2HB LYS 53 -9.521 -4.729 3.553 376 HG2 LYS 53 1HG LYS 53 -8.124 -6.226 5.176 377 HG3 LYS 53 2HG LYS 53 -8.694 -5.082 6.393 378 HD2 LYS 53 1HD LYS 53 -11.024 -5.533 5.275 379 HD3 LYS 53 2HD LYS 53 -10.241 -7.017 4.727 380 HE2 LYS 53 1HE LYS 53 -10.043 -6.226 7.598 381 HE3 LYS 53 2HE LYS 53 -11.536 -6.950 7.004 382 HZ1 LYS 53 1HZ LYS 53 -9.054 -8.297 6.290 383 HZ2 LYS 53 2HZ LYS 53 -10.558 -8.949 6.710 384 HZ3 LYS 53 3HZ LYS 53 -9.516 -8.382 7.916 385 H GLU 54 H GLU 54 -7.973 -5.214 1.646 386 HA GLU 54 HA GLU 54 -6.957 -7.756 2.053 387 HB2 GLU 54 1HB GLU 54 -7.484 -6.093 -0.366 388 HB3 GLU 54 2HB GLU 54 -6.571 -7.582 -0.566 389 HG2 GLU 54 1HG GLU 54 -9.110 -7.696 0.965 390 HG3 GLU 54 2HG GLU 54 -9.195 -7.515 -0.787 391 H PHE 55 H PHE 55 -5.324 -5.061 0.380 392 HA PHE 55 HA PHE 55 -2.918 -6.142 -0.206 393 HB2 PHE 55 1HB PHE 55 -3.593 -3.773 -0.624 394 HB3 PHE 55 2HB PHE 55 -3.239 -3.416 1.063 395 HD1 PHE 55 HD1 PHE 55 -1.531 -5.163 -1.763 396 HD2 PHE 55 HD2 PHE 55 -1.251 -2.348 1.418 397 HE1 PHE 55 HE1 PHE 55 0.820 -4.737 -2.352 398 HE2 PHE 55 HE2 PHE 55 1.099 -1.916 0.833 399 HZ PHE 55 HZ PHE 55 2.138 -3.110 -1.054 400 H LEU 56 H LEU 56 -3.980 -5.074 2.983 401 HA LEU 56 HA LEU 56 -1.515 -5.396 4.311 402 HB2 LEU 56 1HB LEU 56 -4.144 -5.854 5.672 403 HB3 LEU 56 2HB LEU 56 -2.694 -5.095 6.302 404 HG LEU 56 HG LEU 56 -4.642 -3.910 4.326 405 HD11 LEU 56 1HD1 LEU 56 -5.650 -3.483 6.308 406 HD12 LEU 56 2HD1 LEU 56 -4.153 -3.630 7.228 407 HD13 LEU 56 3HD1 LEU 56 -4.492 -2.153 6.328 408 HD21 LEU 56 1HD2 LEU 56 -3.183 -2.295 3.787 409 HD22 LEU 56 2HD2 LEU 56 -2.522 -2.210 5.419 410 HD23 LEU 56 3HD2 LEU 56 -1.959 -3.454 4.304 411 H ASN 57 H ASN 57 -4.301 -7.580 3.976 412 HA ASN 57 HA ASN 57 -3.369 -9.698 5.504 413 HB2 ASN 57 1HB ASN 57 -5.269 -9.443 3.221 414 HB3 ASN 57 2HB ASN 57 -4.745 -11.061 3.675 415 HD21 ASN 57 1HD2 ASN 57 -6.697 -8.373 4.477 416 HD22 ASN 57 2HD2 ASN 57 -7.416 -9.033 5.903 417 H GLU 58 H GLU 58 -2.598 -8.794 2.200 418 HA GLU 58 HA GLU 58 -1.346 -11.127 1.339 419 HB2 GLU 58 1HB GLU 58 -1.168 -8.250 0.611 420 HB3 GLU 58 2HB GLU 58 0.122 -9.303 0.047 421 HG2 GLU 58 1HG GLU 58 -1.748 -10.804 -0.844 422 HG3 GLU 58 2HG GLU 58 -2.800 -9.412 -0.596 423 H GLY 59 H GLY 59 -0.090 -8.440 3.255 424 HA2 GLY 59 1HA GLY 59 2.576 -9.587 3.331 425 HA3 GLY 59 2HA GLY 59 2.050 -8.108 4.124 426 H GLY 60 H GLY 60 -0.207 -9.291 5.476 427 HA2 GLY 60 1HA GLY 60 -0.525 -11.138 7.062 428 HA3 GLY 60 2HA GLY 60 1.204 -11.064 7.372 429 H ARG 61 H ARG 61 -0.692 -8.164 7.019 430 HA ARG 61 HA ARG 61 -0.420 -7.696 9.917 431 HB2 ARG 61 1HB ARG 61 0.041 -5.909 7.565 432 HB3 ARG 61 2HB ARG 61 -0.522 -5.200 9.073 433 HG2 ARG 61 1HG ARG 61 1.485 -6.630 10.053 434 HG3 ARG 61 2HG ARG 61 2.089 -6.428 8.407 435 HD2 ARG 61 1HD ARG 61 2.953 -4.541 9.343 436 HD3 ARG 61 2HD ARG 61 1.378 -3.915 8.856 437 HE ARG 61 HE ARG 61 0.933 -3.561 11.057 438 HH11 ARG 61 1HH1 ARG 61 3.320 -6.084 10.817 439 HH12 ARG 61 2HH1 ARG 61 3.515 -6.242 12.532 440 HH21 ARG 61 1HH2 ARG 61 1.181 -3.759 13.316 441 HH22 ARG 61 2HH2 ARG 61 2.297 -4.920 13.952 442 H ALA 62 H ALA 62 -2.658 -8.757 8.106 443 HA ALA 62 HA ALA 62 -4.768 -7.101 7.746 444 HB1 ALA 62 1HB ALA 62 -4.809 -9.506 7.265 445 HB2 ALA 62 2HB ALA 62 -4.946 -9.842 8.991 446 HB3 ALA 62 3HB ALA 62 -6.242 -8.989 8.153 447 H THR 63 H THR 63 -3.884 -8.617 10.839 448 HA THR 63 HA THR 63 -5.923 -7.748 12.447 449 HB THR 63 HB THR 63 -4.153 -9.204 13.281 450 HG1 THR 63 HG1 THR 63 -3.940 -8.196 15.331 451 HG21 THR 63 1HG2 THR 63 -1.952 -8.431 13.796 452 HG22 THR 63 2HG2 THR 63 -2.382 -6.766 13.402 453 HG23 THR 63 3HG2 THR 63 -2.288 -7.978 12.125 454 H SER 64 H SER 64 -3.152 -5.908 11.296 455 HA SER 64 HA SER 64 -3.288 -3.674 12.911 456 HB2 SER 64 1HB SER 64 -2.035 -2.536 11.267 457 HB3 SER 64 2HB SER 64 -1.609 -4.233 11.042 458 HG SER 64 HG SER 64 -3.183 -4.289 9.350 459 H LYS 65 H LYS 65 -4.404 -1.743 12.871 460 HA LYS 65 HA LYS 65 -6.963 -1.829 11.452 461 HB2 LYS 65 1HB LYS 65 -6.703 -1.421 13.996 462 HB3 LYS 65 2HB LYS 65 -6.205 0.201 13.535 463 HG2 LYS 65 1HG LYS 65 -8.386 0.330 12.233 464 HG3 LYS 65 2HG LYS 65 -8.863 -1.124 13.114 465 HD2 LYS 65 1HD LYS 65 -8.140 0.267 15.208 466 HD3 LYS 65 2HD LYS 65 -8.383 1.644 14.131 467 HE2 LYS 65 1HE LYS 65 -10.418 1.259 15.335 468 HE3 LYS 65 2HE LYS 65 -10.670 0.788 13.655 469 HZ1 LYS 65 1HZ LYS 65 -10.429 -1.503 14.251 470 HZ2 LYS 65 2HZ LYS 65 -11.586 -0.810 15.271 471 HZ3 LYS 65 3HZ LYS 65 -10.023 -1.109 15.846 472 H ASP 66 H ASP 66 -4.176 0.290 11.978 473 HA ASP 66 HA ASP 66 -5.168 2.230 10.064 474 HB2 ASP 66 1HB ASP 66 -3.873 2.800 12.193 475 HB3 ASP 66 2HB ASP 66 -2.441 2.215 11.350 476 H TRP 67 H TRP 67 -4.951 1.873 7.964 477 HA TRP 67 HA TRP 67 -2.984 0.032 6.942 478 HB2 TRP 67 1HB TRP 67 -3.994 0.579 4.733 479 HB3 TRP 67 2HB TRP 67 -5.178 0.049 5.924 480 HD1 TRP 67 HD1 TRP 67 -6.841 1.948 6.920 481 HE1 TRP 67 HE1 TRP 67 -7.634 4.181 5.917 482 HE3 TRP 67 HE3 TRP 67 -3.290 2.510 3.285 483 HZ2 TRP 67 HZ2 TRP 67 -6.857 5.947 3.856 484 HZ3 TRP 67 HZ3 TRP 67 -3.387 4.499 1.840 485 HH2 TRP 67 HH2 TRP 67 -5.134 6.181 2.121 486 H LYS 68 H LYS 68 -3.346 3.476 7.239 487 HA LYS 68 HA LYS 68 -1.422 4.242 5.304 488 HB2 LYS 68 1HB LYS 68 -2.523 5.648 7.736 489 HB3 LYS 68 2HB LYS 68 -1.383 6.403 6.630 490 HG2 LYS 68 1HG LYS 68 -2.970 6.144 4.800 491 HG3 LYS 68 2HG LYS 68 -4.111 5.359 5.893 492 HD2 LYS 68 1HD LYS 68 -4.193 7.408 7.251 493 HD3 LYS 68 2HD LYS 68 -3.084 8.189 6.120 494 HE2 LYS 68 1HE LYS 68 -4.672 8.204 4.400 495 HE3 LYS 68 2HE LYS 68 -5.677 6.994 5.196 496 HZ1 LYS 68 1HZ LYS 68 -6.230 9.574 5.246 497 HZ2 LYS 68 2HZ LYS 68 -5.262 9.494 6.630 498 HZ3 LYS 68 3HZ LYS 68 -6.647 8.531 6.511 499 H GLY 69 H GLY 69 -1.192 3.042 8.539 500 HA2 GLY 69 1HA GLY 69 1.538 3.969 8.902 501 HA3 GLY 69 2HA GLY 69 0.603 3.004 10.035 502 H VAL 70 H VAL 70 -0.130 0.888 8.363 503 HA VAL 70 HA VAL 70 2.231 -0.695 8.475 504 HB VAL 70 HB VAL 70 0.853 -2.478 7.469 505 HG11 VAL 70 1HG1 VAL 70 0.800 -2.070 9.889 506 HG12 VAL 70 2HG1 VAL 70 -0.563 -0.970 9.666 507 HG13 VAL 70 3HG1 VAL 70 -0.741 -2.685 9.292 508 HG21 VAL 70 1HG2 VAL 70 -0.615 -1.609 5.958 509 HG22 VAL 70 2HG2 VAL 70 -1.690 -1.731 7.351 510 HG23 VAL 70 3HG2 VAL 70 -0.954 -0.183 6.939 511 H ILE 71 H ILE 71 0.341 0.695 5.819 512 HA ILE 71 HA ILE 71 2.033 -0.408 3.782 513 HB ILE 71 HB ILE 71 -0.035 1.788 3.617 514 HG12 ILE 71 1HG1 ILE 71 -0.223 -1.114 2.784 515 HG13 ILE 71 2HG1 ILE 71 -0.861 -0.478 4.296 516 HG21 ILE 71 1HG2 ILE 71 0.098 1.660 1.270 517 HG22 ILE 71 2HG2 ILE 71 1.767 1.750 1.830 518 HG23 ILE 71 3HG2 ILE 71 1.089 0.203 1.325 519 HD11 ILE 71 1HD1 ILE 71 -1.857 1.123 2.180 520 HD12 ILE 71 2HD1 ILE 71 -2.099 -0.573 1.760 521 HD13 ILE 71 3HD1 ILE 71 -2.740 0.060 3.276 522 H ARG 72 H ARG 72 3.847 0.407 2.952 523 HA ARG 72 HA ARG 72 4.553 3.189 3.622 524 HB2 ARG 72 1HB ARG 72 6.361 0.776 3.412 525 HB3 ARG 72 2HB ARG 72 6.933 2.430 3.580 526 HG2 ARG 72 1HG ARG 72 5.449 2.462 5.705 527 HG3 ARG 72 2HG ARG 72 5.531 0.705 5.571 528 HD2 ARG 72 1HD ARG 72 7.992 0.849 5.560 529 HD3 ARG 72 2HD ARG 72 7.872 2.596 5.765 530 HE ARG 72 HE ARG 72 7.307 2.280 7.981 531 HH11 ARG 72 1HH1 ARG 72 7.332 -0.767 6.297 532 HH12 ARG 72 2HH1 ARG 72 7.236 -1.716 7.744 533 HH21 ARG 72 1HH2 ARG 72 7.180 1.042 9.892 534 HH22 ARG 72 2HH2 ARG 72 7.149 -0.685 9.788 535 H CYS 73 H CYS 73 5.351 4.473 2.021 536 HA CYS 73 HA CYS 73 4.998 3.520 -0.692 537 HB2 CYS 73 1HB CYS 73 4.127 5.722 -0.076 538 HB3 CYS 73 2HB CYS 73 5.743 6.254 0.369 539 HG CYS 73 HG CYS 73 4.422 6.956 -2.326 540 H ASN 74 H ASN 74 7.579 5.482 0.795 541 HA ASN 74 HA ASN 74 9.522 3.945 -0.801 542 HB2 ASN 74 1HB ASN 74 9.295 6.869 -0.230 543 HB3 ASN 74 2HB ASN 74 10.901 6.173 -0.426 544 HD21 ASN 74 1HD2 ASN 74 7.865 6.866 -1.974 545 HD22 ASN 74 2HD2 ASN 74 8.413 6.642 -3.597 546 H GLY 75 H GLY 75 8.443 3.739 2.067 547 HA2 GLY 75 1HA GLY 75 9.988 2.465 3.579 548 HA3 GLY 75 2HA GLY 75 11.068 3.842 3.421 549 H GLU 76 H GLU 76 8.209 5.291 3.420 550 HA GLU 76 HA GLU 76 8.110 5.488 6.360 551 HB2 GLU 76 1HB GLU 76 7.795 7.589 4.230 552 HB3 GLU 76 2HB GLU 76 7.153 7.827 5.849 553 HG2 GLU 76 1HG GLU 76 9.325 8.869 5.622 554 HG3 GLU 76 2HG GLU 76 9.387 7.545 6.784 555 H THR 77 H THR 77 5.942 6.391 7.130 556 HA THR 77 HA THR 77 3.868 4.683 6.052 557 HB THR 77 HB THR 77 2.523 5.433 7.973 558 HG1 THR 77 HG1 THR 77 3.356 6.930 9.410 559 HG21 THR 77 1HG2 THR 77 4.188 3.571 8.176 560 HG22 THR 77 2HG2 THR 77 3.815 4.384 9.696 561 HG23 THR 77 3HG2 THR 77 5.323 4.738 8.853 562 H LEU 78 H LEU 78 2.199 5.298 4.819 563 HA LEU 78 HA LEU 78 2.084 7.493 3.272 564 HB2 LEU 78 1HB LEU 78 -0.322 6.156 4.513 565 HB3 LEU 78 2HB LEU 78 -0.348 7.170 3.083 566 HG LEU 78 HG LEU 78 1.124 4.544 3.299 567 HD11 LEU 78 1HD1 LEU 78 -1.094 3.896 3.291 568 HD12 LEU 78 2HD1 LEU 78 -1.598 5.266 2.301 569 HD13 LEU 78 3HD1 LEU 78 -0.707 3.931 1.571 570 HD21 LEU 78 1HD2 LEU 78 1.506 4.748 0.951 571 HD22 LEU 78 2HD2 LEU 78 0.521 6.207 0.861 572 HD23 LEU 78 3HD2 LEU 78 2.062 6.236 1.717 573 H ARG 79 H ARG 79 0.862 7.275 6.576 574 HA ARG 79 HA ARG 79 -0.453 9.724 6.733 575 HB2 ARG 79 1HB ARG 79 -0.704 8.130 8.502 576 HB3 ARG 79 2HB ARG 79 1.023 8.139 8.834 577 HG2 ARG 79 1HG ARG 79 -0.439 10.706 9.079 578 HG3 ARG 79 2HG ARG 79 -0.705 9.478 10.318 579 HD2 ARG 79 1HD ARG 79 2.000 10.497 9.461 580 HD3 ARG 79 2HD ARG 79 1.113 11.077 10.869 581 HE ARG 79 HE ARG 79 1.350 8.292 11.047 582 HH11 ARG 79 1HH1 ARG 79 3.339 11.147 11.177 583 HH12 ARG 79 2HH1 ARG 79 4.520 10.435 12.225 584 HH21 ARG 79 1HH2 ARG 79 2.899 7.344 12.427 585 HH22 ARG 79 2HH2 ARG 79 4.269 8.271 12.935 586 H HIS 80 H HIS 80 2.936 8.949 7.492 587 HA HIS 80 HA HIS 80 3.709 11.547 8.224 588 HB2 HIS 80 1HB HIS 80 5.028 9.495 8.700 589 HB3 HIS 80 2HB HIS 80 5.434 9.390 6.990 590 HD1 HIS 80 HD1 HIS 80 6.439 11.004 10.130 591 HD2 HIS 80 HD2 HIS 80 7.140 11.528 6.069 592 HE1 HIS 80 HE1 HIS 80 8.446 12.512 9.983 593 HE2 HIS 80 HE2 HIS 80 8.799 12.884 7.517 594 H LEU 81 H LEU 81 3.826 9.869 5.103 595 HA LEU 81 HA LEU 81 5.134 11.869 3.646 596 HB2 LEU 81 1HB LEU 81 3.041 9.950 2.624 597 HB3 LEU 81 2HB LEU 81 4.244 10.787 1.661 598 HG LEU 81 HG LEU 81 4.945 8.791 3.810 599 HD11 LEU 81 1HD1 LEU 81 3.585 7.789 1.976 600 HD12 LEU 81 2HD1 LEU 81 4.831 8.308 0.841 601 HD13 LEU 81 3HD1 LEU 81 5.221 7.143 2.106 602 HD21 LEU 81 1HD2 LEU 81 6.889 9.924 3.475 603 HD22 LEU 81 2HD2 LEU 81 7.014 8.770 2.148 604 HD23 LEU 81 3HD2 LEU 81 6.454 10.413 1.838 605 H GLU 82 H GLU 82 1.678 11.314 4.213 606 HA GLU 82 HA GLU 82 0.638 13.299 2.575 607 HB2 GLU 82 1HB GLU 82 -0.728 11.601 3.728 608 HB3 GLU 82 2HB GLU 82 -0.412 12.398 5.263 609 HG2 GLU 82 1HG GLU 82 -1.420 14.475 3.970 610 HG3 GLU 82 2HG GLU 82 -2.199 13.196 3.039 611 H GLN 83 H GLN 83 1.853 13.521 5.886 612 HA GLN 83 HA GLN 83 1.094 16.163 6.414 613 HB2 GLN 83 1HB GLN 83 3.326 14.435 7.456 614 HB3 GLN 83 2HB GLN 83 3.112 16.091 8.010 615 HG2 GLN 83 1HG GLN 83 0.747 15.442 8.618 616 HG3 GLN 83 2HG GLN 83 1.234 13.772 8.333 617 HE21 GLN 83 1HE2 GLN 83 1.732 12.736 10.112 618 HE22 GLN 83 2HE2 GLN 83 2.467 13.412 11.522 619 H LYS 84 H LYS 84 3.900 14.841 4.758 620 HA LYS 84 HA LYS 84 5.177 17.418 4.498 621 HB2 LYS 84 1HB LYS 84 5.805 14.700 3.342 622 HB3 LYS 84 2HB LYS 84 6.769 16.134 3.018 623 HG2 LYS 84 1HG LYS 84 7.656 16.185 5.116 624 HG3 LYS 84 2HG LYS 84 6.247 15.417 5.852 625 HD2 LYS 84 1HD LYS 84 7.916 13.782 5.964 626 HD3 LYS 84 2HD LYS 84 6.955 13.320 4.558 627 HE2 LYS 84 1HE LYS 84 9.082 13.131 3.712 628 HE3 LYS 84 2HE LYS 84 8.695 14.793 3.268 629 HZ1 LYS 84 1HZ LYS 84 10.677 13.796 5.103 630 HZ2 LYS 84 2HZ LYS 84 9.758 15.068 5.733 631 HZ3 LYS 84 3HZ LYS 84 10.607 15.276 4.285 632 H GLY 85 H GLY 85 2.448 16.580 3.254 633 HA2 GLY 85 1HA GLY 85 1.257 17.216 1.397 634 HA3 GLY 85 2HA GLY 85 2.602 18.278 1.008 635 H LEU 86 H LEU 86 2.859 14.790 1.326 636 HA LEU 86 HA LEU 86 3.659 14.666 -1.493 637 HB2 LEU 86 1HB LEU 86 4.056 12.567 0.636 638 HB3 LEU 86 2HB LEU 86 4.807 12.625 -0.948 639 HG LEU 86 HG LEU 86 5.293 14.692 1.194 640 HD11 LEU 86 1HD1 LEU 86 6.745 12.140 0.564 641 HD12 LEU 86 2HD1 LEU 86 7.529 13.499 1.369 642 HD13 LEU 86 3HD1 LEU 86 6.143 12.710 2.120 643 HD21 LEU 86 1HD2 LEU 86 5.861 15.644 -0.852 644 HD22 LEU 86 2HD2 LEU 86 7.387 14.976 -0.274 645 HD23 LEU 86 3HD2 LEU 86 6.461 14.120 -1.505 646 H LEU 87 H LEU 87 1.428 13.296 0.845 647 HA LEU 87 HA LEU 87 0.132 11.792 -1.331 648 HB2 LEU 87 1HB LEU 87 1.017 10.458 0.589 649 HB3 LEU 87 2HB LEU 87 -0.104 11.305 1.638 650 HG LEU 87 HG LEU 87 -1.934 10.410 0.036 651 HD11 LEU 87 1HD1 LEU 87 -0.613 7.981 -0.521 652 HD12 LEU 87 2HD1 LEU 87 -1.273 9.153 -1.662 653 HD13 LEU 87 3HD1 LEU 87 0.406 9.281 -1.138 654 HD21 LEU 87 1HD2 LEU 87 -1.475 8.036 1.268 655 HD22 LEU 87 2HD2 LEU 87 -0.491 9.125 2.244 656 HD23 LEU 87 3HD2 LEU 87 -2.214 9.439 2.041 657 H PHE 88 H PHE 88 -1.965 12.173 -1.806 658 HA PHE 88 HA PHE 88 -3.171 14.558 -0.784 659 HB2 PHE 88 1HB PHE 88 -4.741 14.327 -2.485 660 HB3 PHE 88 2HB PHE 88 -3.336 13.515 -3.167 661 HD1 PHE 88 HD1 PHE 88 -3.289 10.900 -2.191 662 HD2 PHE 88 HD2 PHE 88 -6.700 13.296 -3.049 663 HE1 PHE 88 HE1 PHE 88 -4.630 8.864 -2.529 664 HE2 PHE 88 HE2 PHE 88 -8.047 11.265 -3.388 665 HZ PHE 88 HZ PHE 88 -7.012 9.046 -3.127 666 H SER 89 H SER 89 -3.661 11.107 -0.342 667 HA SER 89 HA SER 89 -5.014 9.902 1.041 668 HB2 SER 89 1HB SER 89 -4.952 10.527 3.300 669 HB3 SER 89 2HB SER 89 -3.532 11.325 2.625 670 HG SER 89 HG SER 89 -6.048 12.469 3.243 671 H GLY 90 H GLY 90 -6.405 11.300 -0.942 672 HA2 GLY 90 1HA GLY 90 -8.550 11.874 -1.522 673 HA3 GLY 90 2HA GLY 90 -9.043 11.128 -0.009 674 HA PRO 91 HA PRO 91 -9.624 15.838 0.003 675 HB2 PRO 91 1HB PRO 91 -12.336 15.870 -0.113 676 HB3 PRO 91 2HB PRO 91 -11.312 15.914 -1.553 677 HG2 PRO 91 1HG PRO 91 -12.738 13.593 -0.313 678 HG3 PRO 91 2HG PRO 91 -12.595 14.033 -2.025 679 HD2 PRO 91 1HD PRO 91 -11.072 12.107 -0.883 680 HD3 PRO 91 2HD PRO 91 -10.483 13.129 -2.210 681 H SER 92 H SER 92 -11.180 13.116 1.570 682 HA SER 92 HA SER 92 -11.918 12.762 3.695 683 HB2 SER 92 1HB SER 92 -9.480 13.456 4.063 684 HB3 SER 92 2HB SER 92 -10.115 15.032 4.534 685 HG SER 92 HG SER 92 -10.004 12.744 5.957 686 H SER 93 H SER 93 -13.573 14.384 2.177 687 HA SER 93 HA SER 93 -14.870 15.923 4.284 688 HB2 SER 93 1HB SER 93 -14.216 17.112 1.577 689 HB3 SER 93 2HB SER 93 -15.213 17.875 2.815 690 HG SER 93 HG SER 93 -12.515 17.094 3.213 691 H GLY 94 H GLY 94 -17.006 15.599 4.289 692 HA2 GLY 94 1HA GLY 94 -18.214 14.447 1.849 693 HA3 GLY 94 2HA GLY 94 -18.663 13.952 3.474 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 6.004 11.525 -28.010 2 HA2 GLY 1 1HA GLY 1 6.795 10.666 -30.360 3 HA3 GLY 1 2HA GLY 1 5.952 12.119 -30.878 4 H SER 2 H SER 2 7.030 13.995 -30.885 5 HA SER 2 HA SER 2 9.738 13.988 -29.746 6 HB2 SER 2 1HB SER 2 8.487 15.537 -32.011 7 HB3 SER 2 2HB SER 2 10.030 16.008 -31.299 8 HG SER 2 HG SER 2 10.945 14.173 -32.029 9 H SER 3 H SER 3 10.269 15.317 -28.130 10 HA SER 3 HA SER 3 8.215 17.152 -27.137 11 HB2 SER 3 1HB SER 3 10.743 16.171 -25.791 12 HB3 SER 3 2HB SER 3 9.480 17.143 -25.038 13 HG SER 3 HG SER 3 9.589 14.559 -25.091 14 H GLY 4 H GLY 4 8.810 19.285 -26.396 15 HA2 GLY 4 1HA GLY 4 11.258 20.359 -27.635 16 HA3 GLY 4 2HA GLY 4 9.707 21.122 -27.953 17 H SER 5 H SER 5 8.595 20.911 -25.371 18 HA SER 5 HA SER 5 10.270 22.869 -23.956 19 HB2 SER 5 1HB SER 5 7.940 23.526 -24.721 20 HB3 SER 5 2HB SER 5 7.318 22.384 -23.530 21 HG SER 5 HG SER 5 7.564 24.658 -22.852 22 H SER 6 H SER 6 10.823 22.594 -21.840 23 HA SER 6 HA SER 6 10.159 19.979 -20.661 24 HB2 SER 6 1HB SER 6 12.618 20.716 -21.240 25 HB3 SER 6 2HB SER 6 12.488 21.617 -19.730 26 HG SER 6 HG SER 6 12.083 19.697 -18.652 27 H GLY 7 H GLY 7 8.933 19.962 -18.898 28 HA2 GLY 7 1HA GLY 7 8.599 22.492 -17.420 29 HA3 GLY 7 2HA GLY 7 7.390 21.221 -17.521 30 H ASN 8 H ASN 8 7.877 22.108 -15.076 31 HA ASN 8 HA ASN 8 9.984 20.610 -13.790 32 HB2 ASN 8 1HB ASN 8 9.167 21.622 -11.723 33 HB3 ASN 8 2HB ASN 8 9.337 22.848 -12.975 34 HD21 ASN 8 1HD2 ASN 8 7.660 24.112 -13.386 35 HD22 ASN 8 2HD2 ASN 8 6.046 23.853 -12.826 36 H ASP 9 H ASP 9 9.826 18.596 -13.073 37 HA ASP 9 HA ASP 9 7.363 17.148 -13.263 38 HB2 ASP 9 1HB ASP 9 10.175 16.482 -12.488 39 HB3 ASP 9 2HB ASP 9 8.885 15.359 -12.065 40 H ALA 10 H ALA 10 6.017 16.452 -11.670 41 HA ALA 10 HA ALA 10 6.650 17.283 -8.915 42 HB1 ALA 10 1HB ALA 10 5.049 18.852 -9.530 43 HB2 ALA 10 2HB ALA 10 4.126 17.685 -10.477 44 HB3 ALA 10 3HB ALA 10 4.101 17.608 -8.715 45 H VAL 11 H VAL 11 5.678 16.021 -7.238 46 HA VAL 11 HA VAL 11 5.516 13.223 -7.919 47 HB VAL 11 HB VAL 11 6.707 13.921 -5.896 48 HG11 VAL 11 1HG1 VAL 11 5.159 15.850 -5.418 49 HG12 VAL 11 2HG1 VAL 11 4.034 14.675 -4.734 50 HG13 VAL 11 3HG1 VAL 11 5.631 14.889 -4.016 51 HG21 VAL 11 1HG2 VAL 11 4.389 12.458 -4.773 52 HG22 VAL 11 2HG2 VAL 11 5.192 11.741 -6.170 53 HG23 VAL 11 3HG2 VAL 11 6.111 12.081 -4.703 54 H ASP 12 H ASP 12 3.323 15.777 -6.962 55 HA ASP 12 HA ASP 12 1.100 13.991 -6.527 56 HB2 ASP 12 1HB ASP 12 -0.199 15.991 -6.128 57 HB3 ASP 12 2HB ASP 12 1.349 16.145 -5.300 58 H PHE 13 H PHE 13 2.616 14.468 -9.218 59 HA PHE 13 HA PHE 13 0.476 15.333 -10.957 60 HB2 PHE 13 1HB PHE 13 2.754 15.914 -11.560 61 HB3 PHE 13 2HB PHE 13 3.223 14.217 -11.554 62 HD1 PHE 13 HD1 PHE 13 0.606 16.358 -13.141 63 HD2 PHE 13 HD2 PHE 13 3.462 13.236 -13.605 64 HE1 PHE 13 HE1 PHE 13 0.038 16.199 -15.530 65 HE2 PHE 13 HE2 PHE 13 2.899 13.072 -15.995 66 HZ PHE 13 HZ PHE 13 1.186 14.555 -16.960 67 H SER 14 H SER 14 2.242 12.307 -10.354 68 HA SER 14 HA SER 14 0.487 10.796 -12.070 69 HB2 SER 14 1HB SER 14 2.885 10.212 -11.806 70 HB3 SER 14 2HB SER 14 2.580 9.808 -10.117 71 HG SER 14 HG SER 14 2.251 8.276 -12.268 72 HA PRO 15 HA PRO 15 -2.579 10.161 -8.916 73 HB2 PRO 15 1HB PRO 15 -4.120 8.445 -10.348 74 HB3 PRO 15 2HB PRO 15 -4.112 10.190 -10.627 75 HG2 PRO 15 1HG PRO 15 -2.681 8.027 -12.122 76 HG3 PRO 15 2HG PRO 15 -3.550 9.437 -12.754 77 HD2 PRO 15 1HD PRO 15 -0.851 9.362 -12.546 78 HD3 PRO 15 2HD PRO 15 -1.782 10.862 -12.357 79 H THR 16 H THR 16 -0.191 8.101 -9.860 80 HA THR 16 HA THR 16 -1.172 5.943 -8.105 81 HB THR 16 HB THR 16 0.277 4.385 -9.358 82 HG1 THR 16 HG1 THR 16 0.557 6.314 -11.393 83 HG21 THR 16 1HG2 THR 16 -1.445 5.741 -11.398 84 HG22 THR 16 2HG2 THR 16 -2.179 4.993 -9.978 85 HG23 THR 16 3HG2 THR 16 -1.219 4.019 -11.091 86 H LEU 17 H LEU 17 0.173 5.183 -6.523 87 HA LEU 17 HA LEU 17 2.867 6.336 -6.344 88 HB2 LEU 17 1HB LEU 17 0.958 6.153 -4.014 89 HB3 LEU 17 2HB LEU 17 2.577 6.828 -3.996 90 HG LEU 17 HG LEU 17 0.312 7.982 -5.620 91 HD11 LEU 17 1HD1 LEU 17 1.020 9.680 -3.486 92 HD12 LEU 17 2HD1 LEU 17 -0.516 8.860 -3.765 93 HD13 LEU 17 3HD1 LEU 17 0.738 8.080 -2.802 94 HD21 LEU 17 1HD2 LEU 17 2.375 8.659 -6.538 95 HD22 LEU 17 2HD2 LEU 17 1.843 9.998 -5.522 96 HD23 LEU 17 3HD2 LEU 17 3.094 8.898 -4.945 97 HA PRO 18 HA PRO 18 4.032 2.175 -5.484 98 HB2 PRO 18 1HB PRO 18 6.461 2.654 -4.370 99 HB3 PRO 18 2HB PRO 18 6.153 2.806 -6.104 100 HG2 PRO 18 1HG PRO 18 6.272 4.940 -4.007 101 HG3 PRO 18 2HG PRO 18 6.951 4.941 -5.646 102 HD2 PRO 18 1HD PRO 18 4.636 6.203 -5.026 103 HD3 PRO 18 2HD PRO 18 4.930 5.473 -6.618 104 H VAL 19 H VAL 19 3.232 0.964 -3.895 105 HA VAL 19 HA VAL 19 3.714 1.788 -1.109 106 HB VAL 19 HB VAL 19 1.514 0.892 -0.480 107 HG11 VAL 19 1HG1 VAL 19 1.502 3.211 -0.735 108 HG12 VAL 19 2HG1 VAL 19 1.655 3.113 -2.491 109 HG13 VAL 19 3HG1 VAL 19 0.134 2.675 -1.711 110 HG21 VAL 19 1HG2 VAL 19 1.166 -0.719 -2.232 111 HG22 VAL 19 2HG2 VAL 19 -0.154 0.450 -2.268 112 HG23 VAL 19 3HG2 VAL 19 1.147 0.552 -3.454 113 H THR 20 H THR 20 4.007 0.123 0.394 114 HA THR 20 HA THR 20 4.050 -2.628 -0.573 115 HB THR 20 HB THR 20 6.349 -2.977 0.370 116 HG1 THR 20 HG1 THR 20 7.415 -1.324 1.175 117 HG21 THR 20 1HG2 THR 20 5.919 -1.187 -2.010 118 HG22 THR 20 2HG2 THR 20 6.216 -2.926 -1.982 119 HG23 THR 20 3HG2 THR 20 7.514 -1.803 -1.577 120 H CYS 21 H CYS 21 3.353 -3.999 0.942 121 HA CYS 21 HA CYS 21 3.448 -3.136 3.756 122 HB2 CYS 21 1HB CYS 21 1.157 -2.962 2.776 123 HB3 CYS 21 2HB CYS 21 1.201 -4.692 2.461 124 HG CYS 21 HG CYS 21 1.865 -4.810 5.475 125 H GLY 22 H GLY 22 5.058 -4.379 4.542 126 HA2 GLY 22 1HA GLY 22 6.223 -6.255 5.173 127 HA3 GLY 22 2HA GLY 22 4.657 -7.052 5.171 128 H LYS 23 H LYS 23 4.302 -8.614 3.721 129 HA LYS 23 HA LYS 23 6.386 -9.104 1.724 130 HB2 LYS 23 1HB LYS 23 4.148 -10.996 2.390 131 HB3 LYS 23 2HB LYS 23 5.735 -11.361 1.725 132 HG2 LYS 23 1HG LYS 23 5.354 -10.276 4.500 133 HG3 LYS 23 2HG LYS 23 5.344 -12.003 4.135 134 HD2 LYS 23 1HD LYS 23 7.609 -10.254 3.242 135 HD3 LYS 23 2HD LYS 23 7.558 -10.902 4.883 136 HE2 LYS 23 1HE LYS 23 7.439 -13.167 3.998 137 HE3 LYS 23 2HE LYS 23 7.432 -12.538 2.351 138 HZ1 LYS 23 1HZ LYS 23 9.639 -12.875 4.189 139 HZ2 LYS 23 2HZ LYS 23 9.641 -11.405 3.351 140 HZ3 LYS 23 3HZ LYS 23 9.630 -12.865 2.497 141 H ALA 24 H ALA 24 3.993 -7.184 1.589 142 HA ALA 24 HA ALA 24 2.897 -8.189 -0.957 143 HB1 ALA 24 1HB ALA 24 0.832 -7.572 -0.361 144 HB2 ALA 24 2HB ALA 24 1.470 -7.527 1.283 145 HB3 ALA 24 3HB ALA 24 1.386 -6.046 0.328 146 H LYS 25 H LYS 25 2.949 -6.881 -2.730 147 HA LYS 25 HA LYS 25 3.924 -4.137 -2.427 148 HB2 LYS 25 1HB LYS 25 5.131 -6.094 -4.389 149 HB3 LYS 25 2HB LYS 25 5.606 -4.418 -4.148 150 HG2 LYS 25 1HG LYS 25 6.425 -4.923 -1.937 151 HG3 LYS 25 2HG LYS 25 5.845 -6.585 -2.071 152 HD2 LYS 25 1HD LYS 25 7.473 -7.157 -3.633 153 HD3 LYS 25 2HD LYS 25 7.776 -5.475 -4.076 154 HE2 LYS 25 1HE LYS 25 8.864 -5.068 -1.965 155 HE3 LYS 25 2HE LYS 25 8.438 -6.680 -1.392 156 HZ1 LYS 25 1HZ LYS 25 9.776 -7.501 -3.374 157 HZ2 LYS 25 2HZ LYS 25 10.644 -6.854 -2.074 158 HZ3 LYS 25 3HZ LYS 25 10.400 -5.932 -3.471 159 H GLY 26 H GLY 26 2.953 -2.724 -3.766 160 HA2 GLY 26 1HA GLY 26 1.874 -3.511 -6.313 161 HA3 GLY 26 2HA GLY 26 0.630 -3.234 -5.103 162 H THR 27 H THR 27 -0.245 -1.452 -6.133 163 HA THR 27 HA THR 27 1.261 1.015 -5.763 164 HB THR 27 HB THR 27 0.000 0.318 -8.422 165 HG1 THR 27 HG1 THR 27 2.072 0.139 -9.162 166 HG21 THR 27 1HG2 THR 27 1.635 2.580 -8.644 167 HG22 THR 27 2HG2 THR 27 0.673 2.835 -7.189 168 HG23 THR 27 3HG2 THR 27 -0.125 2.523 -8.730 169 H LEU 28 H LEU 28 0.009 2.644 -5.058 170 HA LEU 28 HA LEU 28 -2.855 2.131 -4.805 171 HB2 LEU 28 1HB LEU 28 -1.856 2.744 -2.755 172 HB3 LEU 28 2HB LEU 28 -0.966 4.064 -3.489 173 HG LEU 28 HG LEU 28 -3.441 4.945 -3.974 174 HD11 LEU 28 1HD1 LEU 28 -3.976 2.710 -2.438 175 HD12 LEU 28 2HD1 LEU 28 -4.086 4.049 -1.295 176 HD13 LEU 28 3HD1 LEU 28 -5.074 4.053 -2.756 177 HD21 LEU 28 1HD2 LEU 28 -2.529 6.565 -2.762 178 HD22 LEU 28 2HD2 LEU 28 -2.990 5.689 -1.304 179 HD23 LEU 28 3HD2 LEU 28 -1.401 5.430 -2.022 180 H PHE 29 H PHE 29 -4.393 3.257 -5.843 181 HA PHE 29 HA PHE 29 -3.502 5.408 -7.644 182 HB2 PHE 29 1HB PHE 29 -5.811 3.472 -7.854 183 HB3 PHE 29 2HB PHE 29 -5.623 4.867 -8.912 184 HD1 PHE 29 HD2 PHE 29 -3.508 2.055 -7.657 185 HD2 PHE 29 HD1 PHE 29 -4.724 4.438 -10.968 186 HE1 PHE 29 HE2 PHE 29 -2.059 0.729 -9.139 187 HE2 PHE 29 HE1 PHE 29 -3.277 3.115 -12.456 188 HZ PHE 29 HZ PHE 29 -1.942 1.259 -11.541 189 H GLN 30 H GLN 30 -3.808 7.271 -6.558 190 HA GLN 30 HA GLN 30 -5.560 7.908 -4.583 191 HB2 GLN 30 1HB GLN 30 -5.096 9.912 -6.762 192 HB3 GLN 30 2HB GLN 30 -5.134 10.155 -5.021 193 HG2 GLN 30 1HG GLN 30 -3.006 8.699 -5.001 194 HG3 GLN 30 2HG GLN 30 -2.934 9.066 -6.724 195 HE21 GLN 30 1HE2 GLN 30 -2.343 10.182 -3.567 196 HE22 GLN 30 2HE2 GLN 30 -1.792 11.767 -3.976 197 H GLU 31 H GLU 31 -6.229 7.872 -8.048 198 HA GLU 31 HA GLU 31 -8.783 9.030 -7.965 199 HB2 GLU 31 1HB GLU 31 -9.139 7.858 -10.146 200 HB3 GLU 31 2HB GLU 31 -7.659 8.804 -10.069 201 HG2 GLU 31 1HG GLU 31 -6.540 6.579 -9.403 202 HG3 GLU 31 2HG GLU 31 -8.000 5.836 -10.054 203 H LYS 32 H LYS 32 -7.763 5.638 -7.775 204 HA LYS 32 HA LYS 32 -10.472 4.706 -7.424 205 HB2 LYS 32 1HB LYS 32 -7.775 3.441 -7.583 206 HB3 LYS 32 2HB LYS 32 -9.070 2.536 -6.811 207 HG2 LYS 32 1HG LYS 32 -10.266 2.317 -8.759 208 HG3 LYS 32 2HG LYS 32 -9.544 3.752 -9.490 209 HD2 LYS 32 1HD LYS 32 -7.362 2.459 -9.530 210 HD3 LYS 32 2HD LYS 32 -8.313 1.029 -9.124 211 HE2 LYS 32 1HE LYS 32 -9.177 2.716 -11.421 212 HE3 LYS 32 2HE LYS 32 -7.778 1.663 -11.629 213 HZ1 LYS 32 1HZ LYS 32 -9.264 0.090 -12.090 214 HZ2 LYS 32 2HZ LYS 32 -10.561 0.990 -11.484 215 HZ3 LYS 32 3HZ LYS 32 -9.615 0.058 -10.436 216 H LEU 33 H LEU 33 -8.255 6.168 -5.432 217 HA LEU 33 HA LEU 33 -9.071 4.711 -3.030 218 HB2 LEU 33 1HB LEU 33 -6.675 5.261 -3.392 219 HB3 LEU 33 2HB LEU 33 -7.084 6.965 -3.325 220 HG LEU 33 HG LEU 33 -7.919 6.600 -0.988 221 HD11 LEU 33 1HD1 LEU 33 -7.194 4.574 0.176 222 HD12 LEU 33 2HD1 LEU 33 -8.332 4.209 -1.121 223 HD13 LEU 33 3HD1 LEU 33 -6.610 3.910 -1.350 224 HD21 LEU 33 1HD2 LEU 33 -5.824 7.607 -1.119 225 HD22 LEU 33 2HD2 LEU 33 -5.549 6.221 -0.065 226 HD23 LEU 33 3HD2 LEU 33 -5.058 6.152 -1.757 227 H LYS 34 H LYS 34 -9.314 7.871 -4.551 228 HA LYS 34 HA LYS 34 -10.405 9.333 -2.449 229 HB2 LYS 34 1HB LYS 34 -11.508 10.683 -4.311 230 HB3 LYS 34 2HB LYS 34 -9.756 10.539 -4.368 231 HG2 LYS 34 1HG LYS 34 -9.788 9.183 -6.216 232 HG3 LYS 34 2HG LYS 34 -11.412 8.579 -5.878 233 HD2 LYS 34 1HD LYS 34 -11.708 9.977 -7.724 234 HD3 LYS 34 2HD LYS 34 -12.186 10.983 -6.354 235 HE2 LYS 34 1HE LYS 34 -9.345 11.053 -7.233 236 HE3 LYS 34 2HE LYS 34 -10.546 11.867 -8.235 237 HZ1 LYS 34 1HZ LYS 34 -9.652 13.409 -6.656 238 HZ2 LYS 34 2HZ LYS 34 -9.998 12.378 -5.362 239 HZ3 LYS 34 3HZ LYS 34 -11.259 13.091 -6.235 240 H GLN 35 H GLN 35 -11.920 7.088 -4.687 241 HA GLN 35 HA GLN 35 -14.603 7.690 -4.088 242 HB2 GLN 35 1HB GLN 35 -13.376 5.086 -5.010 243 HB3 GLN 35 2HB GLN 35 -15.096 5.449 -5.017 244 HG2 GLN 35 1HG GLN 35 -14.257 7.526 -6.441 245 HG3 GLN 35 2HG GLN 35 -12.943 6.409 -6.806 246 HE21 GLN 35 1HE2 GLN 35 -14.420 4.022 -6.729 247 HE22 GLN 35 2HE2 GLN 35 -15.483 4.001 -8.092 248 H GLY 36 H GLY 36 -12.306 5.420 -2.642 249 HA2 GLY 36 1HA GLY 36 -13.166 5.521 -0.066 250 HA3 GLY 36 2HA GLY 36 -14.255 4.357 -0.804 251 H ALA 37 H ALA 37 -11.501 4.629 0.936 252 HA ALA 37 HA ALA 37 -9.554 3.036 -0.065 253 HB1 ALA 37 1HB ALA 37 -9.040 3.807 2.025 254 HB2 ALA 37 2HB ALA 37 -10.622 3.394 2.689 255 HB3 ALA 37 3HB ALA 37 -9.427 2.128 2.404 256 H SER 38 H SER 38 -12.611 1.937 1.337 257 HA SER 38 HA SER 38 -12.189 -0.776 1.471 258 HB2 SER 38 1HB SER 38 -14.713 0.660 0.615 259 HB3 SER 38 2HB SER 38 -14.635 -1.028 1.120 260 HG SER 38 HG SER 38 -15.124 -0.002 2.957 261 H LYS 39 H LYS 39 -13.005 1.170 -1.357 262 HA LYS 39 HA LYS 39 -13.382 -0.995 -3.142 263 HB2 LYS 39 1HB LYS 39 -12.669 1.900 -3.620 264 HB3 LYS 39 2HB LYS 39 -13.011 0.759 -4.914 265 HG2 LYS 39 1HG LYS 39 -15.214 0.389 -3.475 266 HG3 LYS 39 2HG LYS 39 -14.844 2.042 -2.977 267 HD2 LYS 39 1HD LYS 39 -14.637 2.589 -5.444 268 HD3 LYS 39 2HD LYS 39 -15.352 1.005 -5.757 269 HE2 LYS 39 1HE LYS 39 -17.042 2.771 -5.789 270 HE3 LYS 39 2HE LYS 39 -17.327 1.630 -4.476 271 HZ1 LYS 39 1HZ LYS 39 -17.437 4.190 -4.067 272 HZ2 LYS 39 2HZ LYS 39 -15.758 4.045 -3.924 273 HZ3 LYS 39 3HZ LYS 39 -16.773 3.164 -2.897 274 H LYS 40 H LYS 40 -12.001 -1.963 -4.596 275 HA LYS 40 HA LYS 40 -9.327 -2.313 -3.830 276 HB2 LYS 40 1HB LYS 40 -10.455 -2.847 -6.580 277 HB3 LYS 40 2HB LYS 40 -9.077 -3.633 -5.821 278 HG2 LYS 40 1HG LYS 40 -11.699 -3.825 -4.450 279 HG3 LYS 40 2HG LYS 40 -11.464 -4.764 -5.926 280 HD2 LYS 40 1HD LYS 40 -9.308 -5.600 -4.870 281 HD3 LYS 40 2HD LYS 40 -9.897 -4.898 -3.361 282 HE2 LYS 40 1HE LYS 40 -10.516 -7.189 -3.342 283 HE3 LYS 40 2HE LYS 40 -11.984 -6.267 -3.662 284 HZ1 LYS 40 1HZ LYS 40 -11.624 -8.290 -5.081 285 HZ2 LYS 40 2HZ LYS 40 -10.346 -7.465 -5.821 286 HZ3 LYS 40 3HZ LYS 40 -11.921 -6.855 -5.927 287 H CYS 41 H CYS 41 -7.915 -0.673 -3.822 288 HA CYS 41 HA CYS 41 -7.693 0.961 -6.265 289 HB2 CYS 41 1HB CYS 41 -6.739 2.739 -4.801 290 HB3 CYS 41 2HB CYS 41 -8.413 2.349 -4.426 291 HG CYS 41 HG CYS 41 -8.011 1.945 -1.932 292 H ILE 42 H ILE 42 -6.067 -1.012 -3.927 293 HA ILE 42 HA ILE 42 -3.416 -0.318 -4.855 294 HB ILE 42 HB ILE 42 -4.317 -2.503 -2.974 295 HG12 ILE 42 1HG1 ILE 42 -2.961 0.125 -2.348 296 HG13 ILE 42 2HG1 ILE 42 -4.698 -0.130 -2.231 297 HG21 ILE 42 1HG2 ILE 42 -2.122 -2.842 -4.214 298 HG22 ILE 42 2HG2 ILE 42 -1.520 -1.459 -3.301 299 HG23 ILE 42 3HG2 ILE 42 -2.060 -2.907 -2.453 300 HD11 ILE 42 1HD1 ILE 42 -3.496 -0.293 -0.072 301 HD12 ILE 42 2HD1 ILE 42 -4.404 -1.745 -0.495 302 HD13 ILE 42 3HD1 ILE 42 -2.652 -1.710 -0.696 303 H GLN 43 H GLN 43 -2.883 -0.984 -6.840 304 HA GLN 43 HA GLN 43 -3.786 -3.589 -7.796 305 HB2 GLN 43 1HB GLN 43 -3.876 -1.431 -9.178 306 HB3 GLN 43 2HB GLN 43 -2.133 -1.604 -9.342 307 HG2 GLN 43 1HG GLN 43 -2.506 -3.851 -10.327 308 HG3 GLN 43 2HG GLN 43 -4.240 -3.536 -10.278 309 HE21 GLN 43 1HE2 GLN 43 -4.819 -3.298 -12.328 310 HE22 GLN 43 2HE2 GLN 43 -4.086 -2.218 -13.460 311 H ASN 44 H ASN 44 -2.564 -5.320 -7.499 312 HA ASN 44 HA ASN 44 0.166 -5.118 -6.653 313 HB2 ASN 44 1HB ASN 44 0.103 -7.494 -6.414 314 HB3 ASN 44 2HB ASN 44 -1.469 -6.891 -5.898 315 HD21 ASN 44 1HD2 ASN 44 -1.752 -9.318 -6.341 316 HD22 ASN 44 2HD2 ASN 44 -2.345 -9.721 -7.913 317 H GLU 45 H GLU 45 1.780 -6.720 -7.748 318 HA GLU 45 HA GLU 45 2.442 -5.684 -10.256 319 HB2 GLU 45 1HB GLU 45 3.334 -8.321 -9.077 320 HB3 GLU 45 2HB GLU 45 4.145 -7.425 -10.355 321 HG2 GLU 45 1HG GLU 45 3.687 -6.054 -7.764 322 HG3 GLU 45 2HG GLU 45 4.933 -7.299 -7.843 323 H ALA 46 H ALA 46 0.353 -8.287 -9.366 324 HA ALA 46 HA ALA 46 0.332 -9.484 -12.001 325 HB1 ALA 46 1HB ALA 46 -1.774 -10.156 -10.033 326 HB2 ALA 46 2HB ALA 46 -0.816 -11.208 -11.075 327 HB3 ALA 46 3HB ALA 46 -0.111 -10.550 -9.598 328 H GLY 47 H GLY 47 -0.846 -6.675 -10.915 329 HA2 GLY 47 1HA GLY 47 -2.315 -5.216 -11.962 330 HA3 GLY 47 2HA GLY 47 -2.827 -6.532 -13.009 331 H ASP 48 H ASP 48 -3.210 -8.093 -10.355 332 HA ASP 48 HA ASP 48 -6.008 -7.676 -10.184 333 HB2 ASP 48 1HB ASP 48 -4.120 -9.211 -8.387 334 HB3 ASP 48 2HB ASP 48 -5.876 -9.259 -8.253 335 H TRP 49 H TRP 49 -6.944 -5.976 -9.278 336 HA TRP 49 HA TRP 49 -5.641 -4.247 -7.449 337 HB2 TRP 49 1HB TRP 49 -8.585 -4.466 -8.116 338 HB3 TRP 49 2HB TRP 49 -7.821 -3.118 -7.279 339 HD1 TRP 49 HD1 TRP 49 -7.933 -4.781 -10.753 340 HE1 TRP 49 HE1 TRP 49 -7.230 -3.033 -12.507 341 HE3 TRP 49 HE3 TRP 49 -6.590 -0.977 -7.613 342 HZ2 TRP 49 HZ2 TRP 49 -6.237 -0.391 -12.553 343 HZ3 TRP 49 HZ3 TRP 49 -5.773 1.127 -8.592 344 HH2 TRP 49 HH2 TRP 49 -5.600 1.412 -11.011 345 H LEU 50 H LEU 50 -6.078 -3.862 -5.250 346 HA LEU 50 HA LEU 50 -7.630 -5.894 -3.825 347 HB2 LEU 50 1HB LEU 50 -4.783 -5.152 -3.142 348 HB3 LEU 50 2HB LEU 50 -5.821 -6.183 -2.175 349 HG LEU 50 HG LEU 50 -5.302 -6.950 -5.012 350 HD11 LEU 50 1HD1 LEU 50 -3.123 -6.304 -3.765 351 HD12 LEU 50 2HD1 LEU 50 -3.402 -7.796 -2.867 352 HD13 LEU 50 3HD1 LEU 50 -3.210 -7.844 -4.619 353 HD21 LEU 50 1HD2 LEU 50 -5.802 -8.415 -2.429 354 HD22 LEU 50 2HD2 LEU 50 -6.871 -8.289 -3.825 355 HD23 LEU 50 3HD2 LEU 50 -5.376 -9.217 -3.941 356 H THR 51 H THR 51 -8.608 -5.177 -1.978 357 HA THR 51 HA THR 51 -8.938 -2.373 -1.670 358 HB THR 51 HB THR 51 -10.396 -2.889 0.189 359 HG1 THR 51 HG1 THR 51 -9.736 -4.497 1.403 360 HG21 THR 51 1HG2 THR 51 -10.914 -5.177 -1.657 361 HG22 THR 51 2HG2 THR 51 -10.959 -3.533 -2.294 362 HG23 THR 51 3HG2 THR 51 -12.040 -4.001 -0.982 363 H VAL 52 H VAL 52 -8.233 -0.989 -0.073 364 HA VAL 52 HA VAL 52 -5.731 -0.957 0.838 365 HB VAL 52 HB VAL 52 -8.134 -0.056 2.429 366 HG11 VAL 52 1HG1 VAL 52 -6.693 1.273 3.763 367 HG12 VAL 52 2HG1 VAL 52 -6.017 -0.357 3.766 368 HG13 VAL 52 3HG1 VAL 52 -5.298 0.896 2.753 369 HG21 VAL 52 1HG2 VAL 52 -6.631 1.033 0.153 370 HG22 VAL 52 2HG2 VAL 52 -8.287 1.344 0.674 371 HG23 VAL 52 3HG2 VAL 52 -6.945 2.179 1.456 372 H LYS 53 H LYS 53 -8.314 -2.868 2.231 373 HA LYS 53 HA LYS 53 -6.779 -3.690 4.522 374 HB2 LYS 53 1HB LYS 53 -9.391 -3.560 4.175 375 HB3 LYS 53 2HB LYS 53 -9.179 -5.196 3.568 376 HG2 LYS 53 1HG LYS 53 -7.998 -5.720 5.732 377 HG3 LYS 53 2HG LYS 53 -8.555 -4.150 6.314 378 HD2 LYS 53 1HD LYS 53 -10.815 -4.786 6.188 379 HD3 LYS 53 2HD LYS 53 -10.450 -6.186 5.176 380 HE2 LYS 53 1HE LYS 53 -9.520 -7.375 6.981 381 HE3 LYS 53 2HE LYS 53 -9.405 -5.928 7.982 382 HZ1 LYS 53 1HZ LYS 53 -11.836 -7.446 7.243 383 HZ2 LYS 53 2HZ LYS 53 -11.912 -5.876 7.869 384 HZ3 LYS 53 3HZ LYS 53 -11.234 -7.122 8.791 385 H GLU 54 H GLU 54 -8.005 -5.376 1.626 386 HA GLU 54 HA GLU 54 -6.895 -7.843 1.970 387 HB2 GLU 54 1HB GLU 54 -7.390 -6.193 -0.479 388 HB3 GLU 54 2HB GLU 54 -6.576 -7.744 -0.631 389 HG2 GLU 54 1HG GLU 54 -8.589 -8.635 0.749 390 HG3 GLU 54 2HG GLU 54 -9.374 -7.150 0.213 391 H PHE 55 H PHE 55 -5.293 -5.024 0.510 392 HA PHE 55 HA PHE 55 -2.882 -6.111 -0.195 393 HB2 PHE 55 1HB PHE 55 -3.584 -3.740 -0.558 394 HB3 PHE 55 2HB PHE 55 -3.219 -3.416 1.133 395 HD1 PHE 55 HD1 PHE 55 -1.448 -5.254 -1.590 396 HD2 PHE 55 HD2 PHE 55 -1.310 -2.171 1.340 397 HE1 PHE 55 HE1 PHE 55 0.894 -4.794 -2.190 398 HE2 PHE 55 HE2 PHE 55 1.032 -1.705 0.745 399 HZ PHE 55 HZ PHE 55 2.137 -3.017 -1.022 400 H LEU 56 H LEU 56 -3.874 -5.002 3.018 401 HA LEU 56 HA LEU 56 -1.414 -5.383 4.315 402 HB2 LEU 56 1HB LEU 56 -4.097 -5.767 5.621 403 HB3 LEU 56 2HB LEU 56 -2.609 -5.199 6.354 404 HG LEU 56 HG LEU 56 -4.249 -3.678 4.326 405 HD11 LEU 56 1HD1 LEU 56 -5.059 -2.360 6.064 406 HD12 LEU 56 2HD1 LEU 56 -5.152 -3.999 6.708 407 HD13 LEU 56 3HD1 LEU 56 -3.835 -2.934 7.197 408 HD21 LEU 56 1HD2 LEU 56 -2.484 -1.985 5.677 409 HD22 LEU 56 2HD2 LEU 56 -1.529 -3.395 5.219 410 HD23 LEU 56 3HD2 LEU 56 -2.406 -2.487 3.988 411 H ASN 57 H ASN 57 -4.257 -7.526 4.148 412 HA ASN 57 HA ASN 57 -3.344 -9.658 5.608 413 HB2 ASN 57 1HB ASN 57 -5.164 -9.435 3.244 414 HB3 ASN 57 2HB ASN 57 -4.697 -11.037 3.809 415 HD21 ASN 57 1HD2 ASN 57 -5.769 -7.942 5.180 416 HD22 ASN 57 2HD2 ASN 57 -6.894 -8.633 6.294 417 H GLU 58 H GLU 58 -2.605 -8.863 2.248 418 HA GLU 58 HA GLU 58 -1.284 -11.192 1.502 419 HB2 GLU 58 1HB GLU 58 -1.191 -8.352 0.626 420 HB3 GLU 58 2HB GLU 58 0.118 -9.400 0.100 421 HG2 GLU 58 1HG GLU 58 -2.817 -9.870 -0.368 422 HG3 GLU 58 2HG GLU 58 -1.653 -9.291 -1.558 423 H GLY 59 H GLY 59 -0.066 -8.348 3.217 424 HA2 GLY 59 1HA GLY 59 2.623 -9.419 3.342 425 HA3 GLY 59 2HA GLY 59 2.060 -7.918 4.063 426 H GLY 60 H GLY 60 -0.147 -9.102 5.498 427 HA2 GLY 60 1HA GLY 60 -0.348 -10.919 7.165 428 HA3 GLY 60 2HA GLY 60 1.360 -10.673 7.497 429 H ARG 61 H ARG 61 -0.829 -8.008 6.950 430 HA ARG 61 HA ARG 61 -0.612 -7.322 9.808 431 HB2 ARG 61 1HB ARG 61 -0.262 -5.696 7.344 432 HB3 ARG 61 2HB ARG 61 -1.047 -4.919 8.712 433 HG2 ARG 61 1HG ARG 61 1.125 -4.374 9.128 434 HG3 ARG 61 2HG ARG 61 1.011 -5.889 10.026 435 HD2 ARG 61 1HD ARG 61 1.818 -7.006 7.866 436 HD3 ARG 61 2HD ARG 61 2.268 -5.381 7.348 437 HE ARG 61 HE ARG 61 4.002 -5.396 8.869 438 HH11 ARG 61 1HH1 ARG 61 1.929 -8.145 9.388 439 HH12 ARG 61 2HH1 ARG 61 3.027 -8.933 10.472 440 HH21 ARG 61 1HH2 ARG 61 5.456 -6.424 10.295 441 HH22 ARG 61 2HH2 ARG 61 5.032 -7.953 10.988 442 H ALA 62 H ALA 62 -2.717 -8.745 8.089 443 HA ALA 62 HA ALA 62 -5.001 -7.327 7.666 444 HB1 ALA 62 1HB ALA 62 -4.880 -10.043 8.972 445 HB2 ALA 62 2HB ALA 62 -6.252 -9.358 8.100 446 HB3 ALA 62 3HB ALA 62 -4.760 -9.737 7.239 447 H THR 63 H THR 63 -3.821 -8.527 10.782 448 HA THR 63 HA THR 63 -6.038 -7.776 12.332 449 HB THR 63 HB THR 63 -4.398 -9.282 13.253 450 HG1 THR 63 HG1 THR 63 -3.798 -7.311 15.008 451 HG21 THR 63 1HG2 THR 63 -2.301 -8.824 12.483 452 HG22 THR 63 2HG2 THR 63 -2.188 -8.008 14.043 453 HG23 THR 63 3HG2 THR 63 -2.528 -7.079 12.583 454 H SER 64 H SER 64 -3.298 -5.962 11.147 455 HA SER 64 HA SER 64 -3.348 -3.756 12.832 456 HB2 SER 64 1HB SER 64 -2.023 -2.674 11.254 457 HB3 SER 64 2HB SER 64 -1.755 -4.368 10.846 458 HG SER 64 HG SER 64 -2.933 -4.147 9.062 459 H LYS 65 H LYS 65 -4.397 -1.774 12.789 460 HA LYS 65 HA LYS 65 -6.998 -1.810 11.443 461 HB2 LYS 65 1HB LYS 65 -6.788 -1.424 13.941 462 HB3 LYS 65 2HB LYS 65 -6.055 0.127 13.557 463 HG2 LYS 65 1HG LYS 65 -8.345 0.519 14.023 464 HG3 LYS 65 2HG LYS 65 -8.129 0.696 12.280 465 HD2 LYS 65 1HD LYS 65 -9.224 -1.296 11.814 466 HD3 LYS 65 2HD LYS 65 -8.951 -1.940 13.434 467 HE2 LYS 65 1HE LYS 65 -11.277 -1.363 13.190 468 HE3 LYS 65 2HE LYS 65 -10.520 -0.249 14.327 469 HZ1 LYS 65 1HZ LYS 65 -11.877 0.337 11.932 470 HZ2 LYS 65 2HZ LYS 65 -10.278 0.868 11.793 471 HZ3 LYS 65 3HZ LYS 65 -11.239 1.410 13.075 472 H ASP 66 H ASP 66 -4.276 0.410 12.024 473 HA ASP 66 HA ASP 66 -5.236 2.227 9.979 474 HB2 ASP 66 1HB ASP 66 -2.638 2.349 11.520 475 HB3 ASP 66 2HB ASP 66 -3.410 3.659 10.630 476 H TRP 67 H TRP 67 -4.909 1.726 7.918 477 HA TRP 67 HA TRP 67 -2.823 -0.042 7.069 478 HB2 TRP 67 1HB TRP 67 -3.664 0.526 4.769 479 HB3 TRP 67 2HB TRP 67 -4.895 -0.099 5.864 480 HD1 TRP 67 HD1 TRP 67 -6.687 1.715 6.836 481 HE1 TRP 67 HE1 TRP 67 -7.547 3.916 5.815 482 HE3 TRP 67 HE3 TRP 67 -3.023 2.481 3.353 483 HZ2 TRP 67 HZ2 TRP 67 -6.775 5.735 3.799 484 HZ3 TRP 67 HZ3 TRP 67 -3.158 4.475 1.918 485 HH2 TRP 67 HH2 TRP 67 -4.996 6.067 2.138 486 H LYS 68 H LYS 68 -3.218 3.399 7.308 487 HA LYS 68 HA LYS 68 -1.194 4.180 5.494 488 HB2 LYS 68 1HB LYS 68 -2.344 5.579 7.913 489 HB3 LYS 68 2HB LYS 68 -1.228 6.333 6.781 490 HG2 LYS 68 1HG LYS 68 -2.794 6.283 5.034 491 HG3 LYS 68 2HG LYS 68 -3.832 5.139 5.889 492 HD2 LYS 68 1HD LYS 68 -4.295 6.868 7.584 493 HD3 LYS 68 2HD LYS 68 -3.306 8.008 6.669 494 HE2 LYS 68 1HE LYS 68 -5.655 6.591 5.444 495 HE3 LYS 68 2HE LYS 68 -5.838 8.102 6.333 496 HZ1 LYS 68 1HZ LYS 68 -3.889 7.881 4.130 497 HZ2 LYS 68 2HZ LYS 68 -4.623 9.267 4.764 498 HZ3 LYS 68 3HZ LYS 68 -5.520 8.198 3.807 499 H GLY 69 H GLY 69 -1.100 2.865 8.673 500 HA2 GLY 69 1HA GLY 69 1.602 3.812 9.202 501 HA3 GLY 69 2HA GLY 69 0.619 2.814 10.264 502 H VAL 70 H VAL 70 -0.024 0.724 8.552 503 HA VAL 70 HA VAL 70 2.337 -0.845 8.717 504 HB VAL 70 HB VAL 70 1.004 -2.600 7.573 505 HG11 VAL 70 1HG1 VAL 70 -0.206 -1.148 9.912 506 HG12 VAL 70 2HG1 VAL 70 -0.809 -2.705 9.341 507 HG13 VAL 70 3HG1 VAL 70 0.848 -2.561 9.928 508 HG21 VAL 70 1HG2 VAL 70 -0.500 -1.772 6.111 509 HG22 VAL 70 2HG2 VAL 70 -1.562 -1.754 7.519 510 HG23 VAL 70 3HG2 VAL 70 -0.727 -0.281 7.025 511 H ILE 71 H ILE 71 0.596 0.661 6.032 512 HA ILE 71 HA ILE 71 2.426 -0.388 4.062 513 HB ILE 71 HB ILE 71 0.258 1.697 3.782 514 HG12 ILE 71 1HG1 ILE 71 0.221 -1.200 2.925 515 HG13 ILE 71 2HG1 ILE 71 -0.456 -0.634 4.448 516 HG21 ILE 71 1HG2 ILE 71 2.335 0.822 1.986 517 HG22 ILE 71 2HG2 ILE 71 0.738 0.473 1.324 518 HG23 ILE 71 3HG2 ILE 71 1.157 2.120 1.794 519 HD11 ILE 71 1HD1 ILE 71 -2.060 0.722 3.282 520 HD12 ILE 71 2HD1 ILE 71 -1.326 0.316 1.730 521 HD13 ILE 71 3HD1 ILE 71 -2.138 -0.932 2.675 522 H ARG 72 H ARG 72 4.296 0.492 3.494 523 HA ARG 72 HA ARG 72 4.802 3.300 4.227 524 HB2 ARG 72 1HB ARG 72 6.850 1.124 3.777 525 HB3 ARG 72 2HB ARG 72 7.149 2.746 4.387 526 HG2 ARG 72 1HG ARG 72 5.780 2.207 6.374 527 HG3 ARG 72 2HG ARG 72 5.618 0.556 5.771 528 HD2 ARG 72 1HD ARG 72 7.939 0.150 5.994 529 HD3 ARG 72 2HD ARG 72 8.286 1.860 6.242 530 HE ARG 72 HE ARG 72 6.572 0.644 8.230 531 HH11 ARG 72 1HH1 ARG 72 9.820 1.485 7.300 532 HH12 ARG 72 2HH1 ARG 72 10.432 1.449 8.921 533 HH21 ARG 72 1HH2 ARG 72 7.366 0.594 10.368 534 HH22 ARG 72 2HH2 ARG 72 9.036 0.941 10.665 535 H CYS 73 H CYS 73 5.607 4.706 2.725 536 HA CYS 73 HA CYS 73 5.913 3.671 -0.016 537 HB2 CYS 73 1HB CYS 73 3.850 4.905 0.086 538 HB3 CYS 73 2HB CYS 73 4.635 6.247 0.910 539 HG CYS 73 HG CYS 73 4.636 5.455 -2.372 540 H ASN 74 H ASN 74 7.971 3.798 -0.602 541 HA ASN 74 HA ASN 74 10.065 4.600 -0.986 542 HB2 ASN 74 1HB ASN 74 8.466 7.080 -0.616 543 HB3 ASN 74 2HB ASN 74 10.218 7.237 -0.538 544 HD21 ASN 74 1HD2 ASN 74 7.503 6.368 -2.537 545 HD22 ASN 74 2HD2 ASN 74 8.335 6.454 -4.049 546 H GLY 75 H GLY 75 9.295 3.624 1.639 547 HA2 GLY 75 1HA GLY 75 10.608 3.249 3.534 548 HA3 GLY 75 2HA GLY 75 11.582 4.648 3.108 549 H GLU 76 H GLU 76 8.727 5.960 2.796 550 HA GLU 76 HA GLU 76 8.531 6.686 5.644 551 HB2 GLU 76 1HB GLU 76 8.353 8.270 3.136 552 HB3 GLU 76 2HB GLU 76 7.290 8.740 4.455 553 HG2 GLU 76 1HG GLU 76 8.999 9.448 5.773 554 HG3 GLU 76 2HG GLU 76 10.151 8.305 5.087 555 H THR 77 H THR 77 6.691 6.278 6.681 556 HA THR 77 HA THR 77 4.631 4.755 5.581 557 HB THR 77 HB THR 77 3.349 5.265 7.621 558 HG1 THR 77 HG1 THR 77 4.272 6.729 9.136 559 HG21 THR 77 1HG2 THR 77 4.684 3.588 8.305 560 HG22 THR 77 2HG2 THR 77 5.551 4.844 9.188 561 HG23 THR 77 3HG2 THR 77 6.124 4.324 7.604 562 H LEU 78 H LEU 78 2.663 5.211 4.711 563 HA LEU 78 HA LEU 78 2.193 7.368 3.158 564 HB2 LEU 78 1HB LEU 78 0.078 5.894 4.730 565 HB3 LEU 78 2HB LEU 78 -0.207 6.868 3.299 566 HG LEU 78 HG LEU 78 1.493 4.374 3.337 567 HD11 LEU 78 1HD1 LEU 78 -1.416 4.806 2.822 568 HD12 LEU 78 2HD1 LEU 78 -0.542 3.551 1.944 569 HD13 LEU 78 3HD1 LEU 78 -0.609 3.509 3.705 570 HD21 LEU 78 1HD2 LEU 78 0.311 5.807 0.973 571 HD22 LEU 78 2HD2 LEU 78 1.927 6.154 1.587 572 HD23 LEU 78 3HD2 LEU 78 1.541 4.543 0.985 573 H ARG 79 H ARG 79 1.292 7.084 6.576 574 HA ARG 79 HA ARG 79 -0.057 9.512 6.840 575 HB2 ARG 79 1HB ARG 79 -0.197 7.896 8.597 576 HB3 ARG 79 2HB ARG 79 1.546 7.906 8.827 577 HG2 ARG 79 1HG ARG 79 0.526 9.117 10.617 578 HG3 ARG 79 2HG ARG 79 1.384 10.261 9.582 579 HD2 ARG 79 1HD ARG 79 -0.590 11.379 9.846 580 HD3 ARG 79 2HD ARG 79 -0.971 10.432 8.408 581 HE ARG 79 HE ARG 79 -1.819 8.809 10.349 582 HH11 ARG 79 1HH1 ARG 79 -2.296 12.221 9.845 583 HH12 ARG 79 2HH1 ARG 79 -3.845 12.252 10.621 584 HH21 ARG 79 1HH2 ARG 79 -3.858 8.837 11.372 585 HH22 ARG 79 2HH2 ARG 79 -4.732 10.326 11.490 586 H HIS 80 H HIS 80 3.385 8.760 7.070 587 HA HIS 80 HA HIS 80 4.271 11.252 8.006 588 HB2 HIS 80 1HB HIS 80 5.567 9.032 7.774 589 HB3 HIS 80 2HB HIS 80 5.872 9.542 6.116 590 HD1 HIS 80 HD1 HIS 80 7.074 9.956 9.539 591 HD2 HIS 80 HD2 HIS 80 7.382 12.026 5.950 592 HE1 HIS 80 HE1 HIS 80 9.001 11.544 9.842 593 HE2 HIS 80 HE2 HIS 80 9.113 12.845 7.688 594 H LEU 81 H LEU 81 4.013 10.009 4.681 595 HA LEU 81 HA LEU 81 4.904 12.374 3.425 596 HB2 LEU 81 1HB LEU 81 3.117 10.190 2.350 597 HB3 LEU 81 2HB LEU 81 3.916 11.412 1.380 598 HG LEU 81 HG LEU 81 5.380 9.383 3.067 599 HD11 LEU 81 1HD1 LEU 81 5.561 7.977 1.275 600 HD12 LEU 81 2HD1 LEU 81 3.941 8.618 1.004 601 HD13 LEU 81 3HD1 LEU 81 5.308 9.265 0.097 602 HD21 LEU 81 1HD2 LEU 81 6.665 10.701 0.774 603 HD22 LEU 81 2HD2 LEU 81 6.299 11.752 2.141 604 HD23 LEU 81 3HD2 LEU 81 7.303 10.321 2.373 605 H GLU 82 H GLU 82 1.690 11.195 4.297 606 HA GLU 82 HA GLU 82 0.166 13.142 2.994 607 HB2 GLU 82 1HB GLU 82 -0.793 11.108 3.985 608 HB3 GLU 82 2HB GLU 82 -0.432 11.719 5.593 609 HG2 GLU 82 1HG GLU 82 -2.166 13.275 3.720 610 HG3 GLU 82 2HG GLU 82 -2.823 11.950 4.678 611 H GLN 83 H GLN 83 1.575 13.125 6.246 612 HA GLN 83 HA GLN 83 0.486 15.549 7.135 613 HB2 GLN 83 1HB GLN 83 2.982 14.042 7.881 614 HB3 GLN 83 2HB GLN 83 2.555 15.561 8.656 615 HG2 GLN 83 1HG GLN 83 0.314 14.462 9.180 616 HG3 GLN 83 2HG GLN 83 1.099 12.945 8.742 617 HE21 GLN 83 1HE2 GLN 83 1.389 11.917 10.601 618 HE22 GLN 83 2HE2 GLN 83 2.173 12.567 11.996 619 H LYS 84 H LYS 84 3.379 14.842 5.260 620 HA LYS 84 HA LYS 84 4.318 17.562 5.307 621 HB2 LYS 84 1HB LYS 84 5.155 15.142 3.706 622 HB3 LYS 84 2HB LYS 84 5.935 16.712 3.566 623 HG2 LYS 84 1HG LYS 84 6.918 16.564 5.630 624 HG3 LYS 84 2HG LYS 84 5.685 15.467 6.259 625 HD2 LYS 84 1HD LYS 84 7.479 14.042 6.006 626 HD3 LYS 84 2HD LYS 84 6.646 13.826 4.465 627 HE2 LYS 84 1HE LYS 84 8.180 15.686 3.598 628 HE3 LYS 84 2HE LYS 84 9.132 15.405 5.055 629 HZ1 LYS 84 1HZ LYS 84 10.081 14.087 3.373 630 HZ2 LYS 84 2HZ LYS 84 8.582 13.504 2.851 631 HZ3 LYS 84 3HZ LYS 84 9.208 13.010 4.343 632 H GLY 85 H GLY 85 1.636 16.514 4.039 633 HA2 GLY 85 1HA GLY 85 0.257 17.259 2.361 634 HA3 GLY 85 2HA GLY 85 1.398 18.575 2.129 635 H LEU 86 H LEU 86 2.190 15.166 1.808 636 HA LEU 86 HA LEU 86 2.833 15.661 -1.013 637 HB2 LEU 86 1HB LEU 86 3.696 13.334 0.701 638 HB3 LEU 86 2HB LEU 86 4.322 13.777 -0.877 639 HG LEU 86 HG LEU 86 4.610 15.531 1.558 640 HD11 LEU 86 1HD1 LEU 86 6.302 13.284 0.551 641 HD12 LEU 86 2HD1 LEU 86 7.048 14.670 1.346 642 HD13 LEU 86 3HD1 LEU 86 5.853 13.699 2.205 643 HD21 LEU 86 1HD2 LEU 86 5.551 17.003 0.186 644 HD22 LEU 86 2HD2 LEU 86 6.617 15.772 -0.489 645 HD23 LEU 86 3HD2 LEU 86 5.006 16.009 -1.166 646 H LEU 87 H LEU 87 1.014 13.549 1.123 647 HA LEU 87 HA LEU 87 -0.093 12.152 -1.215 648 HB2 LEU 87 1HB LEU 87 0.951 10.793 0.606 649 HB3 LEU 87 2HB LEU 87 -0.294 11.377 1.694 650 HG LEU 87 HG LEU 87 -1.919 10.384 -0.124 651 HD11 LEU 87 1HD1 LEU 87 -0.338 8.130 -0.613 652 HD12 LEU 87 2HD1 LEU 87 -0.920 9.311 -1.786 653 HD13 LEU 87 3HD1 LEU 87 0.662 9.519 -1.037 654 HD21 LEU 87 1HD2 LEU 87 -1.035 9.593 2.347 655 HD22 LEU 87 2HD2 LEU 87 -2.351 8.848 1.441 656 HD23 LEU 87 3HD2 LEU 87 -0.726 8.169 1.353 657 H PHE 88 H PHE 88 -2.009 12.801 -1.907 658 HA PHE 88 HA PHE 88 -3.598 14.730 -0.709 659 HB2 PHE 88 1HB PHE 88 -5.114 14.382 -2.432 660 HB3 PHE 88 2HB PHE 88 -3.632 13.731 -3.125 661 HD1 PHE 88 HD1 PHE 88 -3.321 11.113 -2.219 662 HD2 PHE 88 HD2 PHE 88 -6.961 13.171 -3.016 663 HE1 PHE 88 HE1 PHE 88 -4.448 8.961 -2.611 664 HE2 PHE 88 HE2 PHE 88 -8.094 11.023 -3.408 665 HZ PHE 88 HZ PHE 88 -6.838 8.914 -3.205 666 H SER 89 H SER 89 -3.656 11.238 -0.359 667 HA SER 89 HA SER 89 -4.846 9.837 0.988 668 HB2 SER 89 1HB SER 89 -4.787 10.379 3.236 669 HB3 SER 89 2HB SER 89 -3.615 11.532 2.597 670 HG SER 89 HG SER 89 -5.584 12.952 2.405 671 H GLY 90 H GLY 90 -6.394 11.030 -0.991 672 HA2 GLY 90 1HA GLY 90 -8.675 10.869 -1.473 673 HA3 GLY 90 2HA GLY 90 -9.014 10.840 0.251 674 HA PRO 91 HA PRO 91 -10.287 14.977 -1.412 675 HB2 PRO 91 1HB PRO 91 -12.691 15.005 -0.152 676 HB3 PRO 91 2HB PRO 91 -12.446 14.264 -1.738 677 HG2 PRO 91 1HG PRO 91 -12.566 12.970 0.959 678 HG3 PRO 91 2HG PRO 91 -13.299 12.444 -0.568 679 HD2 PRO 91 1HD PRO 91 -11.007 11.369 0.395 680 HD3 PRO 91 2HD PRO 91 -11.330 11.530 -1.343 681 H SER 92 H SER 92 -11.242 16.839 -0.019 682 HA SER 92 HA SER 92 -9.957 16.752 2.633 683 HB2 SER 92 1HB SER 92 -10.213 19.081 0.715 684 HB3 SER 92 2HB SER 92 -9.583 19.204 2.358 685 HG SER 92 HG SER 92 -7.764 18.341 1.725 686 H SER 93 H SER 93 -11.396 16.758 4.215 687 HA SER 93 HA SER 93 -14.004 18.029 3.776 688 HB2 SER 93 1HB SER 93 -13.039 15.815 5.540 689 HB3 SER 93 2HB SER 93 -14.441 16.754 6.052 690 HG SER 93 HG SER 93 -14.890 16.216 3.557 691 H GLY 94 H GLY 94 -14.969 19.238 5.567 692 HA2 GLY 94 1HA GLY 94 -12.905 20.795 6.984 693 HA3 GLY 94 2HA GLY 94 -14.491 21.400 6.532 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 4.460 13.891 -28.897 2 HA2 GLY 1 1HA GLY 1 4.433 16.281 -28.850 3 HA3 GLY 1 2HA GLY 1 5.643 16.236 -27.576 4 H SER 2 H SER 2 5.235 17.136 -30.640 5 HA SER 2 HA SER 2 7.148 16.092 -32.256 6 HB2 SER 2 1HB SER 2 6.083 18.855 -31.905 7 HB3 SER 2 2HB SER 2 7.503 18.647 -32.931 8 HG SER 2 HG SER 2 5.271 18.446 -33.887 9 H SER 3 H SER 3 7.693 18.584 -29.780 10 HA SER 3 HA SER 3 10.386 17.636 -29.366 11 HB2 SER 3 1HB SER 3 9.904 20.427 -30.435 12 HB3 SER 3 2HB SER 3 11.440 19.844 -29.795 13 HG SER 3 HG SER 3 10.827 19.726 -32.227 14 H GLY 4 H GLY 4 10.830 17.769 -27.265 15 HA2 GLY 4 1HA GLY 4 11.038 19.229 -25.300 16 HA3 GLY 4 2HA GLY 4 9.432 19.835 -25.681 17 H SER 5 H SER 5 10.514 18.558 -23.233 18 HA SER 5 HA SER 5 9.502 15.937 -22.981 19 HB2 SER 5 1HB SER 5 9.618 16.415 -20.504 20 HB3 SER 5 2HB SER 5 11.118 16.706 -21.384 21 HG SER 5 HG SER 5 10.858 18.841 -21.163 22 H SER 6 H SER 6 7.432 15.508 -23.436 23 HA SER 6 HA SER 6 5.234 17.060 -23.459 24 HB2 SER 6 1HB SER 6 5.531 14.476 -23.862 25 HB3 SER 6 2HB SER 6 4.929 14.354 -22.209 26 HG SER 6 HG SER 6 3.610 15.043 -24.523 27 H GLY 7 H GLY 7 6.553 15.474 -20.572 28 HA2 GLY 7 1HA GLY 7 5.268 17.500 -18.917 29 HA3 GLY 7 2HA GLY 7 4.778 15.837 -18.627 30 H ASN 8 H ASN 8 5.830 17.145 -16.548 31 HA ASN 8 HA ASN 8 8.674 16.471 -16.415 32 HB2 ASN 8 1HB ASN 8 8.361 17.609 -14.078 33 HB3 ASN 8 2HB ASN 8 8.412 18.601 -15.532 34 HD21 ASN 8 1HD2 ASN 8 6.675 19.793 -16.082 35 HD22 ASN 8 2HD2 ASN 8 5.205 19.847 -15.176 36 H ASP 9 H ASP 9 9.329 15.662 -14.111 37 HA ASP 9 HA ASP 9 7.629 13.333 -13.525 38 HB2 ASP 9 1HB ASP 9 9.851 12.524 -12.416 39 HB3 ASP 9 2HB ASP 9 9.680 12.454 -14.168 40 H ALA 10 H ALA 10 6.653 13.206 -11.616 41 HA ALA 10 HA ALA 10 7.823 14.368 -9.242 42 HB1 ALA 10 1HB ALA 10 6.733 16.326 -10.061 43 HB2 ALA 10 2HB ALA 10 5.244 15.433 -10.378 44 HB3 ALA 10 3HB ALA 10 5.775 15.701 -8.717 45 H VAL 11 H VAL 11 6.153 14.093 -7.351 46 HA VAL 11 HA VAL 11 5.198 11.331 -7.530 47 HB VAL 11 HB VAL 11 5.611 13.080 -5.100 48 HG11 VAL 11 1HG1 VAL 11 5.576 10.439 -4.297 49 HG12 VAL 11 2HG1 VAL 11 4.273 11.610 -4.087 50 HG13 VAL 11 3HG1 VAL 11 4.274 10.530 -5.482 51 HG21 VAL 11 1HG2 VAL 11 7.739 12.432 -5.075 52 HG22 VAL 11 2HG2 VAL 11 7.287 10.740 -5.283 53 HG23 VAL 11 3HG2 VAL 11 7.497 11.777 -6.694 54 H ASP 12 H ASP 12 4.110 14.534 -6.450 55 HA ASP 12 HA ASP 12 1.476 13.735 -5.795 56 HB2 ASP 12 1HB ASP 12 2.331 16.503 -6.647 57 HB3 ASP 12 2HB ASP 12 0.975 16.068 -5.611 58 H PHE 13 H PHE 13 2.940 15.024 -8.737 59 HA PHE 13 HA PHE 13 0.683 15.551 -10.238 60 HB2 PHE 13 1HB PHE 13 3.444 14.628 -10.962 61 HB3 PHE 13 2HB PHE 13 2.215 14.787 -12.212 62 HD1 PHE 13 HD1 PHE 13 3.344 16.800 -9.274 63 HD2 PHE 13 HD2 PHE 13 2.355 16.725 -13.414 64 HE1 PHE 13 HE1 PHE 13 3.818 19.209 -9.428 65 HE2 PHE 13 HE2 PHE 13 2.829 19.134 -13.574 66 HZ PHE 13 HZ PHE 13 3.563 20.379 -11.580 67 H SER 14 H SER 14 2.500 12.487 -10.121 68 HA SER 14 HA SER 14 0.585 11.076 -11.693 69 HB2 SER 14 1HB SER 14 1.887 9.086 -11.143 70 HB3 SER 14 2HB SER 14 2.970 10.414 -11.561 71 HG SER 14 HG SER 14 2.312 10.173 -8.880 72 HA PRO 15 HA PRO 15 -2.366 10.405 -8.440 73 HB2 PRO 15 1HB PRO 15 -4.002 8.768 -9.860 74 HB3 PRO 15 2HB PRO 15 -3.964 10.521 -10.086 75 HG2 PRO 15 1HG PRO 15 -2.645 8.374 -11.702 76 HG3 PRO 15 2HG PRO 15 -3.505 9.822 -12.256 77 HD2 PRO 15 1HD PRO 15 -0.802 9.680 -12.159 78 HD3 PRO 15 2HD PRO 15 -1.689 11.194 -11.888 79 H THR 16 H THR 16 -0.065 8.323 -9.538 80 HA THR 16 HA THR 16 -1.040 6.118 -7.841 81 HB THR 16 HB THR 16 0.391 4.602 -9.170 82 HG1 THR 16 HG1 THR 16 1.213 6.984 -10.237 83 HG21 THR 16 1HG2 THR 16 -1.688 6.197 -10.661 84 HG22 THR 16 2HG2 THR 16 -1.906 4.674 -9.797 85 HG23 THR 16 3HG2 THR 16 -0.969 4.715 -11.290 86 H LEU 17 H LEU 17 0.279 5.333 -6.267 87 HA LEU 17 HA LEU 17 3.004 6.416 -6.084 88 HB2 LEU 17 1HB LEU 17 1.154 6.191 -3.715 89 HB3 LEU 17 2HB LEU 17 2.750 6.916 -3.756 90 HG LEU 17 HG LEU 17 0.389 8.011 -5.281 91 HD11 LEU 17 1HD1 LEU 17 0.558 7.966 -2.567 92 HD12 LEU 17 2HD1 LEU 17 1.365 9.487 -2.949 93 HD13 LEU 17 3HD1 LEU 17 -0.283 9.199 -3.507 94 HD21 LEU 17 1HD2 LEU 17 1.809 10.052 -5.328 95 HD22 LEU 17 2HD2 LEU 17 3.121 9.104 -4.629 96 HD23 LEU 17 3HD2 LEU 17 2.488 8.692 -6.222 97 HA PRO 18 HA PRO 18 4.114 2.230 -5.297 98 HB2 PRO 18 1HB PRO 18 6.513 2.645 -4.096 99 HB3 PRO 18 2HB PRO 18 6.258 2.858 -5.832 100 HG2 PRO 18 1HG PRO 18 6.337 4.919 -3.662 101 HG3 PRO 18 2HG PRO 18 7.064 4.968 -5.279 102 HD2 PRO 18 1HD PRO 18 4.744 6.233 -4.686 103 HD3 PRO 18 2HD PRO 18 5.078 5.554 -6.292 104 H VAL 19 H VAL 19 3.220 0.996 -3.777 105 HA VAL 19 HA VAL 19 3.612 1.733 -0.951 106 HB VAL 19 HB VAL 19 1.402 0.755 -0.446 107 HG11 VAL 19 1HG1 VAL 19 1.777 3.154 -2.132 108 HG12 VAL 19 2HG1 VAL 19 0.119 2.598 -1.900 109 HG13 VAL 19 3HG1 VAL 19 1.118 3.002 -0.504 110 HG21 VAL 19 1HG2 VAL 19 1.601 -0.163 -3.129 111 HG22 VAL 19 2HG2 VAL 19 0.351 -0.515 -1.935 112 HG23 VAL 19 3HG2 VAL 19 0.183 0.878 -3.003 113 H THR 20 H THR 20 3.902 0.044 0.515 114 HA THR 20 HA THR 20 4.015 -2.685 -0.507 115 HB THR 20 HB THR 20 6.298 -3.003 0.521 116 HG1 THR 20 HG1 THR 20 7.480 -0.853 0.484 117 HG21 THR 20 1HG2 THR 20 7.465 -1.738 -1.419 118 HG22 THR 20 2HG2 THR 20 5.825 -1.322 -1.915 119 HG23 THR 20 3HG2 THR 20 6.311 -3.013 -1.805 120 H CYS 21 H CYS 21 3.368 -4.129 0.972 121 HA CYS 21 HA CYS 21 3.389 -3.336 3.805 122 HB2 CYS 21 1HB CYS 21 1.111 -3.096 2.777 123 HB3 CYS 21 2HB CYS 21 1.130 -4.826 2.458 124 HG CYS 21 HG CYS 21 1.837 -4.518 5.596 125 H GLY 22 H GLY 22 4.964 -4.636 4.568 126 HA2 GLY 22 1HA GLY 22 6.084 -6.554 5.152 127 HA3 GLY 22 2HA GLY 22 4.505 -7.323 5.094 128 H LYS 23 H LYS 23 4.169 -8.844 3.603 129 HA LYS 23 HA LYS 23 6.270 -9.286 1.614 130 HB2 LYS 23 1HB LYS 23 3.999 -11.172 2.180 131 HB3 LYS 23 2HB LYS 23 5.592 -11.534 1.530 132 HG2 LYS 23 1HG LYS 23 5.109 -10.588 4.344 133 HG3 LYS 23 2HG LYS 23 5.221 -12.286 3.876 134 HD2 LYS 23 1HD LYS 23 7.483 -11.973 3.104 135 HD3 LYS 23 2HD LYS 23 7.379 -10.234 3.389 136 HE2 LYS 23 1HE LYS 23 6.844 -12.074 5.664 137 HE3 LYS 23 2HE LYS 23 8.513 -11.867 5.134 138 HZ1 LYS 23 1HZ LYS 23 8.127 -10.270 6.803 139 HZ2 LYS 23 2HZ LYS 23 6.656 -9.782 6.125 140 HZ3 LYS 23 3HZ LYS 23 8.110 -9.415 5.343 141 H ALA 24 H ALA 24 3.890 -7.340 1.520 142 HA ALA 24 HA ALA 24 2.827 -8.237 -1.080 143 HB1 ALA 24 1HB ALA 24 0.758 -7.600 -0.506 144 HB2 ALA 24 2HB ALA 24 1.364 -7.664 1.150 145 HB3 ALA 24 3HB ALA 24 1.326 -6.128 0.284 146 H LYS 25 H LYS 25 2.927 -6.870 -2.804 147 HA LYS 25 HA LYS 25 3.924 -4.149 -2.385 148 HB2 LYS 25 1HB LYS 25 5.142 -6.076 -4.371 149 HB3 LYS 25 2HB LYS 25 5.608 -4.398 -4.131 150 HG2 LYS 25 1HG LYS 25 6.202 -5.030 -1.762 151 HG3 LYS 25 2HG LYS 25 5.996 -6.712 -2.255 152 HD2 LYS 25 1HD LYS 25 7.814 -4.821 -3.725 153 HD3 LYS 25 2HD LYS 25 8.360 -5.759 -2.333 154 HE2 LYS 25 1HE LYS 25 7.880 -7.819 -3.456 155 HE3 LYS 25 2HE LYS 25 7.097 -6.969 -4.787 156 HZ1 LYS 25 1HZ LYS 25 9.895 -6.342 -4.175 157 HZ2 LYS 25 2HZ LYS 25 9.085 -6.310 -5.659 158 HZ3 LYS 25 3HZ LYS 25 9.554 -7.788 -4.983 159 H GLY 26 H GLY 26 3.038 -2.668 -3.724 160 HA2 GLY 26 1HA GLY 26 1.985 -3.333 -6.303 161 HA3 GLY 26 2HA GLY 26 0.713 -3.123 -5.109 162 H THR 27 H THR 27 -0.156 -1.288 -6.031 163 HA THR 27 HA THR 27 1.329 1.160 -5.508 164 HB THR 27 HB THR 27 0.207 0.518 -8.241 165 HG1 THR 27 HG1 THR 27 2.445 0.956 -8.819 166 HG21 THR 27 1HG2 THR 27 -0.022 2.703 -8.605 167 HG22 THR 27 2HG2 THR 27 1.665 2.968 -8.161 168 HG23 THR 27 3HG2 THR 27 0.408 3.020 -6.924 169 H LEU 28 H LEU 28 0.047 2.813 -4.863 170 HA LEU 28 HA LEU 28 -2.814 2.247 -4.652 171 HB2 LEU 28 1HB LEU 28 -1.763 2.820 -2.579 172 HB3 LEU 28 2HB LEU 28 -1.023 4.246 -3.281 173 HG LEU 28 HG LEU 28 -3.583 4.894 -3.687 174 HD11 LEU 28 1HD1 LEU 28 -4.048 3.818 -1.025 175 HD12 LEU 28 2HD1 LEU 28 -5.098 3.837 -2.442 176 HD13 LEU 28 3HD1 LEU 28 -3.888 2.568 -2.259 177 HD21 LEU 28 1HD2 LEU 28 -2.766 6.552 -2.456 178 HD22 LEU 28 2HD2 LEU 28 -3.178 5.616 -1.020 179 HD23 LEU 28 3HD2 LEU 28 -1.566 5.488 -1.722 180 H PHE 29 H PHE 29 -4.356 3.412 -5.656 181 HA PHE 29 HA PHE 29 -3.452 5.613 -7.390 182 HB2 PHE 29 1HB PHE 29 -5.748 3.675 -7.713 183 HB3 PHE 29 2HB PHE 29 -5.506 5.081 -8.744 184 HD1 PHE 29 HD2 PHE 29 -3.394 2.296 -7.425 185 HD2 PHE 29 HD1 PHE 29 -4.604 4.608 -10.788 186 HE1 PHE 29 HE2 PHE 29 -1.899 0.976 -8.866 187 HE2 PHE 29 HE1 PHE 29 -3.112 3.291 -12.234 188 HZ PHE 29 HZ PHE 29 -1.756 1.473 -11.274 189 H GLN 30 H GLN 30 -3.813 7.437 -6.256 190 HA GLN 30 HA GLN 30 -5.653 7.967 -4.314 191 HB2 GLN 30 1HB GLN 30 -5.102 10.091 -6.347 192 HB3 GLN 30 2HB GLN 30 -5.182 10.221 -4.595 193 HG2 GLN 30 1HG GLN 30 -3.060 8.741 -4.634 194 HG3 GLN 30 2HG GLN 30 -2.943 9.253 -6.317 195 HE21 GLN 30 1HE2 GLN 30 -2.576 10.154 -3.026 196 HE22 GLN 30 2HE2 GLN 30 -1.954 11.742 -3.299 197 H GLU 31 H GLU 31 -6.187 7.814 -7.760 198 HA GLU 31 HA GLU 31 -8.731 9.075 -7.780 199 HB2 GLU 31 1HB GLU 31 -8.977 8.003 -10.014 200 HB3 GLU 31 2HB GLU 31 -7.482 8.910 -9.829 201 HG2 GLU 31 1HG GLU 31 -6.233 6.880 -9.505 202 HG3 GLU 31 2HG GLU 31 -7.715 5.925 -9.526 203 H LYS 32 H LYS 32 -7.689 5.697 -7.580 204 HA LYS 32 HA LYS 32 -10.420 4.750 -7.397 205 HB2 LYS 32 1HB LYS 32 -7.720 3.471 -7.491 206 HB3 LYS 32 2HB LYS 32 -9.071 2.546 -6.851 207 HG2 LYS 32 1HG LYS 32 -10.111 2.396 -8.874 208 HG3 LYS 32 2HG LYS 32 -9.429 3.915 -9.461 209 HD2 LYS 32 1HD LYS 32 -7.261 2.861 -9.748 210 HD3 LYS 32 2HD LYS 32 -7.883 1.351 -9.076 211 HE2 LYS 32 1HE LYS 32 -9.192 2.595 -11.461 212 HE3 LYS 32 2HE LYS 32 -7.720 1.645 -11.654 213 HZ1 LYS 32 1HZ LYS 32 -8.772 -0.274 -11.086 214 HZ2 LYS 32 2HZ LYS 32 -10.082 0.544 -11.775 215 HZ3 LYS 32 3HZ LYS 32 -9.910 0.488 -10.093 216 H LEU 33 H LEU 33 -8.252 6.115 -5.280 217 HA LEU 33 HA LEU 33 -9.183 4.579 -2.967 218 HB2 LEU 33 1HB LEU 33 -6.772 4.993 -3.168 219 HB3 LEU 33 2HB LEU 33 -7.065 6.722 -3.172 220 HG LEU 33 HG LEU 33 -8.095 6.411 -0.861 221 HD11 LEU 33 1HD1 LEU 33 -7.458 4.448 0.384 222 HD12 LEU 33 2HD1 LEU 33 -8.374 3.965 -1.043 223 HD13 LEU 33 3HD1 LEU 33 -6.620 3.789 -1.021 224 HD21 LEU 33 1HD2 LEU 33 -6.074 6.849 0.139 225 HD22 LEU 33 2HD2 LEU 33 -5.214 5.645 -0.820 226 HD23 LEU 33 3HD2 LEU 33 -5.688 7.178 -1.550 227 H LYS 34 H LYS 34 -9.146 7.856 -4.284 228 HA LYS 34 HA LYS 34 -10.251 9.276 -2.198 229 HB2 LYS 34 1HB LYS 34 -11.187 10.791 -3.942 230 HB3 LYS 34 2HB LYS 34 -9.489 10.402 -4.184 231 HG2 LYS 34 1HG LYS 34 -9.883 9.222 -6.083 232 HG3 LYS 34 2HG LYS 34 -11.486 8.700 -5.559 233 HD2 LYS 34 1HD LYS 34 -10.881 11.556 -6.280 234 HD3 LYS 34 2HD LYS 34 -11.385 10.366 -7.482 235 HE2 LYS 34 1HE LYS 34 -13.460 10.001 -6.336 236 HE3 LYS 34 2HE LYS 34 -12.942 11.003 -4.981 237 HZ1 LYS 34 1HZ LYS 34 -14.343 11.821 -7.205 238 HZ2 LYS 34 2HZ LYS 34 -12.784 12.440 -7.424 239 HZ3 LYS 34 3HZ LYS 34 -13.652 12.812 -6.020 240 H GLN 35 H GLN 35 -11.812 7.079 -4.430 241 HA GLN 35 HA GLN 35 -14.486 7.798 -3.831 242 HB2 GLN 35 1HB GLN 35 -13.372 5.186 -4.867 243 HB3 GLN 35 2HB GLN 35 -15.073 5.632 -4.864 244 HG2 GLN 35 1HG GLN 35 -14.570 7.512 -6.355 245 HG3 GLN 35 2HG GLN 35 -12.876 7.025 -6.378 246 HE21 GLN 35 1HE2 GLN 35 -15.855 5.122 -6.552 247 HE22 GLN 35 2HE2 GLN 35 -15.504 4.387 -8.075 248 H GLY 36 H GLY 36 -12.261 5.401 -2.488 249 HA2 GLY 36 1HA GLY 36 -13.141 5.420 0.090 250 HA3 GLY 36 2HA GLY 36 -14.234 4.297 -0.706 251 H ALA 37 H ALA 37 -11.575 4.407 1.136 252 HA ALA 37 HA ALA 37 -9.593 2.869 0.089 253 HB1 ALA 37 1HB ALA 37 -9.557 1.820 2.509 254 HB2 ALA 37 2HB ALA 37 -9.130 3.509 2.233 255 HB3 ALA 37 3HB ALA 37 -10.738 3.092 2.824 256 H SER 38 H SER 38 -12.716 1.739 1.294 257 HA SER 38 HA SER 38 -12.332 -0.984 1.318 258 HB2 SER 38 1HB SER 38 -14.417 -0.086 2.084 259 HB3 SER 38 2HB SER 38 -14.766 0.613 0.504 260 HG SER 38 HG SER 38 -15.923 -1.278 0.682 261 H LYS 39 H LYS 39 -12.907 1.121 -1.444 262 HA LYS 39 HA LYS 39 -13.254 -0.943 -3.358 263 HB2 LYS 39 1HB LYS 39 -12.431 1.948 -3.652 264 HB3 LYS 39 2HB LYS 39 -12.741 0.882 -5.015 265 HG2 LYS 39 1HG LYS 39 -15.027 0.521 -3.704 266 HG3 LYS 39 2HG LYS 39 -14.630 2.137 -3.115 267 HD2 LYS 39 1HD LYS 39 -14.238 2.719 -5.588 268 HD3 LYS 39 2HD LYS 39 -15.113 1.226 -5.934 269 HE2 LYS 39 1HE LYS 39 -16.242 3.323 -4.108 270 HE3 LYS 39 2HE LYS 39 -16.442 3.421 -5.857 271 HZ1 LYS 39 1HZ LYS 39 -17.099 0.838 -4.799 272 HZ2 LYS 39 2HZ LYS 39 -17.993 1.842 -5.825 273 HZ3 LYS 39 3HZ LYS 39 -18.063 2.068 -4.150 274 H LYS 40 H LYS 40 -11.816 -1.874 -4.784 275 HA LYS 40 HA LYS 40 -9.177 -2.281 -3.875 276 HB2 LYS 40 1HB LYS 40 -10.187 -2.823 -6.667 277 HB3 LYS 40 2HB LYS 40 -8.871 -3.632 -5.827 278 HG2 LYS 40 1HG LYS 40 -11.565 -3.750 -4.595 279 HG3 LYS 40 2HG LYS 40 -11.278 -4.706 -6.052 280 HD2 LYS 40 1HD LYS 40 -9.200 -5.586 -4.879 281 HD3 LYS 40 2HD LYS 40 -9.851 -4.859 -3.407 282 HE2 LYS 40 1HE LYS 40 -10.609 -7.057 -3.307 283 HE3 LYS 40 2HE LYS 40 -11.991 -6.178 -3.959 284 HZ1 LYS 40 1HZ LYS 40 -11.819 -8.021 -5.326 285 HZ2 LYS 40 2HZ LYS 40 -10.129 -7.987 -5.359 286 HZ3 LYS 40 3HZ LYS 40 -11.014 -6.832 -6.220 287 H CYS 41 H CYS 41 -7.789 -0.614 -3.808 288 HA CYS 41 HA CYS 41 -7.432 0.966 -6.270 289 HB2 CYS 41 1HB CYS 41 -6.595 2.792 -4.815 290 HB3 CYS 41 2HB CYS 41 -8.271 2.373 -4.481 291 HG CYS 41 HG CYS 41 -7.967 1.883 -1.979 292 H ILE 42 H ILE 42 -5.956 -1.007 -3.856 293 HA ILE 42 HA ILE 42 -3.250 -0.303 -4.626 294 HB ILE 42 HB ILE 42 -4.282 -2.415 -2.732 295 HG12 ILE 42 1HG1 ILE 42 -2.839 0.174 -2.138 296 HG13 ILE 42 2HG1 ILE 42 -4.589 -0.003 -2.083 297 HG21 ILE 42 1HG2 ILE 42 -1.531 -1.720 -3.648 298 HG22 ILE 42 2HG2 ILE 42 -1.778 -2.257 -1.987 299 HG23 ILE 42 3HG2 ILE 42 -2.247 -3.300 -3.329 300 HD11 ILE 42 1HD1 ILE 42 -2.576 -1.423 -0.359 301 HD12 ILE 42 2HD1 ILE 42 -3.706 -0.161 0.135 302 HD13 ILE 42 3HD1 ILE 42 -4.310 -1.745 -0.352 303 H GLN 43 H GLN 43 -2.614 -1.008 -6.568 304 HA GLN 43 HA GLN 43 -3.467 -3.627 -7.524 305 HB2 GLN 43 1HB GLN 43 -3.434 -1.482 -8.942 306 HB3 GLN 43 2HB GLN 43 -1.690 -1.702 -9.005 307 HG2 GLN 43 1HG GLN 43 -2.094 -3.980 -9.945 308 HG3 GLN 43 2HG GLN 43 -3.805 -3.567 -10.047 309 HE21 GLN 43 1HE2 GLN 43 -4.208 -3.341 -12.139 310 HE22 GLN 43 2HE2 GLN 43 -3.322 -2.337 -13.231 311 H ASN 44 H ASN 44 -2.283 -5.363 -7.123 312 HA ASN 44 HA ASN 44 0.380 -5.178 -6.092 313 HB2 ASN 44 1HB ASN 44 0.298 -7.618 -5.993 314 HB3 ASN 44 2HB ASN 44 -1.192 -6.930 -5.352 315 HD21 ASN 44 1HD2 ASN 44 -1.551 -9.377 -5.892 316 HD22 ASN 44 2HD2 ASN 44 -2.320 -9.662 -7.413 317 H GLU 45 H GLU 45 2.075 -6.761 -7.052 318 HA GLU 45 HA GLU 45 2.926 -5.753 -9.506 319 HB2 GLU 45 1HB GLU 45 4.460 -7.805 -9.499 320 HB3 GLU 45 2HB GLU 45 4.588 -6.694 -8.142 321 HG2 GLU 45 1HG GLU 45 3.715 -8.179 -6.657 322 HG3 GLU 45 2HG GLU 45 2.736 -8.994 -7.876 323 H ALA 46 H ALA 46 0.794 -8.386 -8.767 324 HA ALA 46 HA ALA 46 0.955 -9.617 -11.361 325 HB1 ALA 46 1HB ALA 46 -0.363 -11.252 -10.512 326 HB2 ALA 46 2HB ALA 46 0.183 -10.559 -8.984 327 HB3 ALA 46 3HB ALA 46 -1.395 -10.120 -9.638 328 H GLY 47 H GLY 47 -0.563 -6.862 -10.139 329 HA2 GLY 47 1HA GLY 47 -1.720 -5.321 -11.509 330 HA3 GLY 47 2HA GLY 47 -2.158 -6.641 -12.583 331 H ASP 48 H ASP 48 -2.871 -8.142 -9.964 332 HA ASP 48 HA ASP 48 -5.660 -7.584 -10.090 333 HB2 ASP 48 1HB ASP 48 -4.081 -9.262 -8.128 334 HB3 ASP 48 2HB ASP 48 -5.838 -9.242 -8.254 335 H TRP 49 H TRP 49 -6.550 -5.825 -9.244 336 HA TRP 49 HA TRP 49 -5.366 -4.188 -7.295 337 HB2 TRP 49 1HB TRP 49 -8.280 -4.380 -8.088 338 HB3 TRP 49 2HB TRP 49 -7.548 -3.051 -7.194 339 HD1 TRP 49 HD1 TRP 49 -7.520 -4.646 -10.701 340 HE1 TRP 49 HE1 TRP 49 -6.733 -2.870 -12.388 341 HE3 TRP 49 HE3 TRP 49 -6.289 -0.912 -7.433 342 HZ2 TRP 49 HZ2 TRP 49 -5.723 -0.234 -12.341 343 HZ3 TRP 49 HZ3 TRP 49 -5.419 1.205 -8.336 344 HH2 TRP 49 HH2 TRP 49 -5.142 1.535 -10.739 345 H LEU 50 H LEU 50 -5.892 -3.830 -5.111 346 HA LEU 50 HA LEU 50 -7.507 -5.876 -3.779 347 HB2 LEU 50 1HB LEU 50 -4.700 -5.143 -2.940 348 HB3 LEU 50 2HB LEU 50 -5.778 -6.220 -2.072 349 HG LEU 50 HG LEU 50 -5.092 -6.871 -4.903 350 HD11 LEU 50 1HD1 LEU 50 -3.001 -7.693 -4.459 351 HD12 LEU 50 2HD1 LEU 50 -3.010 -6.263 -3.427 352 HD13 LEU 50 3HD1 LEU 50 -3.311 -7.855 -2.731 353 HD21 LEU 50 1HD2 LEU 50 -5.001 -9.091 -3.188 354 HD22 LEU 50 2HD2 LEU 50 -6.382 -8.125 -2.671 355 HD23 LEU 50 3HD2 LEU 50 -6.265 -8.670 -4.344 356 H THR 51 H THR 51 -8.562 -5.181 -1.968 357 HA THR 51 HA THR 51 -8.926 -2.392 -1.639 358 HB THR 51 HB THR 51 -10.415 -2.937 0.187 359 HG1 THR 51 HG1 THR 51 -9.800 -4.550 1.410 360 HG21 THR 51 1HG2 THR 51 -12.016 -4.087 -1.017 361 HG22 THR 51 2HG2 THR 51 -10.846 -5.221 -1.692 362 HG23 THR 51 3HG2 THR 51 -10.926 -3.568 -2.303 363 H VAL 52 H VAL 52 -8.310 -1.012 0.011 364 HA VAL 52 HA VAL 52 -5.817 -0.941 0.966 365 HB VAL 52 HB VAL 52 -8.273 -0.083 2.499 366 HG11 VAL 52 1HG1 VAL 52 -5.362 0.538 2.955 367 HG12 VAL 52 2HG1 VAL 52 -6.683 1.481 3.649 368 HG13 VAL 52 3HG1 VAL 52 -6.493 -0.220 4.075 369 HG21 VAL 52 1HG2 VAL 52 -8.372 1.265 0.680 370 HG22 VAL 52 2HG2 VAL 52 -7.179 2.187 1.595 371 HG23 VAL 52 3HG2 VAL 52 -6.655 1.089 0.318 372 H LYS 53 H LYS 53 -8.373 -2.953 2.229 373 HA LYS 53 HA LYS 53 -6.850 -3.760 4.555 374 HB2 LYS 53 1HB LYS 53 -9.545 -4.449 3.438 375 HB3 LYS 53 2HB LYS 53 -8.820 -5.479 4.665 376 HG2 LYS 53 1HG LYS 53 -8.716 -3.642 6.216 377 HG3 LYS 53 2HG LYS 53 -9.293 -2.522 4.979 378 HD2 LYS 53 1HD LYS 53 -11.178 -3.022 6.302 379 HD3 LYS 53 2HD LYS 53 -11.366 -3.988 4.836 380 HE2 LYS 53 1HE LYS 53 -10.000 -5.159 7.220 381 HE3 LYS 53 2HE LYS 53 -11.759 -5.062 7.186 382 HZ1 LYS 53 1HZ LYS 53 -10.696 -6.105 4.751 383 HZ2 LYS 53 2HZ LYS 53 -11.868 -6.760 5.780 384 HZ3 LYS 53 3HZ LYS 53 -10.228 -7.037 6.083 385 H GLU 54 H GLU 54 -8.142 -5.429 1.677 386 HA GLU 54 HA GLU 54 -7.042 -7.905 2.003 387 HB2 GLU 54 1HB GLU 54 -7.562 -6.259 -0.448 388 HB3 GLU 54 2HB GLU 54 -6.796 -7.835 -0.597 389 HG2 GLU 54 1HG GLU 54 -8.751 -8.768 0.696 390 HG3 GLU 54 2HG GLU 54 -9.527 -7.201 0.477 391 H PHE 55 H PHE 55 -5.457 -5.096 0.507 392 HA PHE 55 HA PHE 55 -3.070 -6.199 -0.258 393 HB2 PHE 55 1HB PHE 55 -3.768 -3.822 -0.602 394 HB3 PHE 55 2HB PHE 55 -3.357 -3.502 1.079 395 HD1 PHE 55 HD1 PHE 55 -1.707 -5.271 -1.767 396 HD2 PHE 55 HD2 PHE 55 -1.397 -2.350 1.313 397 HE1 PHE 55 HE1 PHE 55 0.622 -4.827 -2.427 398 HE2 PHE 55 HE2 PHE 55 0.932 -1.901 0.658 399 HZ PHE 55 HZ PHE 55 1.944 -3.139 -1.215 400 H LEU 56 H LEU 56 -3.946 -5.032 2.974 401 HA LEU 56 HA LEU 56 -1.463 -5.464 4.203 402 HB2 LEU 56 1HB LEU 56 -4.132 -5.747 5.568 403 HB3 LEU 56 2HB LEU 56 -2.607 -5.262 6.283 404 HG LEU 56 HG LEU 56 -4.126 -3.633 4.246 405 HD11 LEU 56 1HD1 LEU 56 -5.506 -3.375 6.034 406 HD12 LEU 56 2HD1 LEU 56 -4.243 -3.754 7.205 407 HD13 LEU 56 3HD1 LEU 56 -4.292 -2.164 6.446 408 HD21 LEU 56 1HD2 LEU 56 -2.468 -1.944 5.583 409 HD22 LEU 56 2HD2 LEU 56 -1.491 -3.409 5.510 410 HD23 LEU 56 3HD2 LEU 56 -2.105 -2.685 4.025 411 H ASN 57 H ASN 57 -4.336 -7.555 4.034 412 HA ASN 57 HA ASN 57 -3.423 -9.694 5.525 413 HB2 ASN 57 1HB ASN 57 -5.348 -9.429 3.254 414 HB3 ASN 57 2HB ASN 57 -4.888 -11.044 3.784 415 HD21 ASN 57 1HD2 ASN 57 -6.399 -8.040 4.729 416 HD22 ASN 57 2HD2 ASN 57 -7.259 -8.675 6.086 417 H GLU 58 H GLU 58 -2.782 -8.902 2.150 418 HA GLU 58 HA GLU 58 -1.575 -11.271 1.334 419 HB2 GLU 58 1HB GLU 58 -1.416 -8.427 0.482 420 HB3 GLU 58 2HB GLU 58 -0.157 -9.510 -0.096 421 HG2 GLU 58 1HG GLU 58 -3.066 -10.167 -0.390 422 HG3 GLU 58 2HG GLU 58 -2.204 -9.181 -1.570 423 H GLY 59 H GLY 59 -0.263 -8.564 3.160 424 HA2 GLY 59 1HA GLY 59 2.419 -9.684 3.128 425 HA3 GLY 59 2HA GLY 59 1.918 -8.196 3.918 426 H GLY 60 H GLY 60 -0.264 -9.349 5.394 427 HA2 GLY 60 1HA GLY 60 -0.524 -11.158 7.027 428 HA3 GLY 60 2HA GLY 60 1.220 -11.115 7.240 429 H ARG 61 H ARG 61 -0.569 -8.155 6.939 430 HA ARG 61 HA ARG 61 -0.176 -7.676 9.821 431 HB2 ARG 61 1HB ARG 61 0.359 -5.987 7.434 432 HB3 ARG 61 2HB ARG 61 -0.257 -5.176 8.868 433 HG2 ARG 61 1HG ARG 61 1.600 -5.956 10.176 434 HG3 ARG 61 2HG ARG 61 2.181 -6.940 8.830 435 HD2 ARG 61 1HD ARG 61 2.310 -4.744 7.524 436 HD3 ARG 61 2HD ARG 61 2.141 -3.949 9.089 437 HE ARG 61 HE ARG 61 4.483 -5.175 8.048 438 HH11 ARG 61 1HH1 ARG 61 2.728 -4.603 11.000 439 HH12 ARG 61 2HH1 ARG 61 4.136 -4.679 12.006 440 HH21 ARG 61 1HH2 ARG 61 6.345 -5.278 9.362 441 HH22 ARG 61 2HH2 ARG 61 6.193 -5.062 11.073 442 H ALA 62 H ALA 62 -2.516 -8.581 7.970 443 HA ALA 62 HA ALA 62 -4.545 -6.782 7.791 444 HB1 ALA 62 1HB ALA 62 -5.320 -9.400 8.929 445 HB2 ALA 62 2HB ALA 62 -5.933 -8.551 7.510 446 HB3 ALA 62 3HB ALA 62 -4.403 -9.424 7.423 447 H THR 63 H THR 63 -3.445 -8.426 10.712 448 HA THR 63 HA THR 63 -5.441 -7.850 12.495 449 HB THR 63 HB THR 63 -3.713 -7.782 14.266 450 HG1 THR 63 HG1 THR 63 -1.511 -8.004 13.591 451 HG21 THR 63 1HG2 THR 63 -2.515 -9.978 12.964 452 HG22 THR 63 2HG2 THR 63 -4.179 -9.891 12.384 453 HG23 THR 63 3HG2 THR 63 -3.851 -9.999 14.114 454 H SER 64 H SER 64 -2.775 -5.716 11.521 455 HA SER 64 HA SER 64 -3.234 -3.583 13.211 456 HB2 SER 64 1HB SER 64 -1.436 -3.998 11.307 457 HB3 SER 64 2HB SER 64 -2.540 -2.997 10.364 458 HG SER 64 HG SER 64 -0.867 -1.828 11.519 459 H LYS 65 H LYS 65 -4.381 -1.621 13.003 460 HA LYS 65 HA LYS 65 -6.864 -1.896 11.466 461 HB2 LYS 65 1HB LYS 65 -7.668 -0.041 12.969 462 HB3 LYS 65 2HB LYS 65 -7.285 -1.551 13.785 463 HG2 LYS 65 1HG LYS 65 -5.151 0.501 13.597 464 HG3 LYS 65 2HG LYS 65 -6.487 0.789 14.714 465 HD2 LYS 65 1HD LYS 65 -5.941 -1.011 16.041 466 HD3 LYS 65 2HD LYS 65 -5.139 -1.872 14.725 467 HE2 LYS 65 1HE LYS 65 -3.498 -1.105 16.328 468 HE3 LYS 65 2HE LYS 65 -3.301 -0.235 14.808 469 HZ1 LYS 65 1HZ LYS 65 -3.589 0.868 17.305 470 HZ2 LYS 65 2HZ LYS 65 -5.084 1.126 16.557 471 HZ3 LYS 65 3HZ LYS 65 -3.666 1.687 15.826 472 H ASP 66 H ASP 66 -4.080 0.174 11.924 473 HA ASP 66 HA ASP 66 -5.127 2.136 10.029 474 HB2 ASP 66 1HB ASP 66 -2.560 2.140 11.632 475 HB3 ASP 66 2HB ASP 66 -3.142 3.464 10.625 476 H TRP 67 H TRP 67 -4.854 1.684 7.949 477 HA TRP 67 HA TRP 67 -2.768 -0.065 7.026 478 HB2 TRP 67 1HB TRP 67 -3.717 0.452 4.764 479 HB3 TRP 67 2HB TRP 67 -4.896 -0.176 5.912 480 HD1 TRP 67 HD1 TRP 67 -6.719 1.584 6.876 481 HE1 TRP 67 HE1 TRP 67 -7.637 3.771 5.876 482 HE3 TRP 67 HE3 TRP 67 -3.106 2.451 3.365 483 HZ2 TRP 67 HZ2 TRP 67 -6.924 5.619 3.865 484 HZ3 TRP 67 HZ3 TRP 67 -3.298 4.450 1.943 485 HH2 TRP 67 HH2 TRP 67 -5.169 5.999 2.189 486 H LYS 68 H LYS 68 -3.225 3.351 7.333 487 HA LYS 68 HA LYS 68 -1.314 4.199 5.419 488 HB2 LYS 68 1HB LYS 68 -2.406 5.552 7.889 489 HB3 LYS 68 2HB LYS 68 -1.348 6.344 6.728 490 HG2 LYS 68 1HG LYS 68 -2.973 6.224 5.019 491 HG3 LYS 68 2HG LYS 68 -3.973 5.106 5.950 492 HD2 LYS 68 1HD LYS 68 -3.961 7.102 7.685 493 HD3 LYS 68 2HD LYS 68 -3.637 8.051 6.231 494 HE2 LYS 68 1HE LYS 68 -5.639 7.143 5.180 495 HE3 LYS 68 2HE LYS 68 -5.952 6.151 6.604 496 HZ1 LYS 68 1HZ LYS 68 -5.675 9.041 6.974 497 HZ2 LYS 68 2HZ LYS 68 -6.643 7.934 7.810 498 HZ3 LYS 68 3HZ LYS 68 -7.105 8.469 6.273 499 H GLY 69 H GLY 69 -1.051 2.889 8.594 500 HA2 GLY 69 1HA GLY 69 1.661 3.888 8.980 501 HA3 GLY 69 2HA GLY 69 0.739 2.910 10.112 502 H VAL 70 H VAL 70 0.029 0.788 8.438 503 HA VAL 70 HA VAL 70 2.388 -0.784 8.561 504 HB VAL 70 HB VAL 70 1.030 -2.545 7.462 505 HG11 VAL 70 1HG1 VAL 70 0.927 -2.441 9.832 506 HG12 VAL 70 2HG1 VAL 70 -0.183 -1.070 9.789 507 HG13 VAL 70 3HG1 VAL 70 -0.726 -2.662 9.259 508 HG21 VAL 70 1HG2 VAL 70 -1.514 -1.795 7.372 509 HG22 VAL 70 2HG2 VAL 70 -0.778 -0.232 7.014 510 HG23 VAL 70 3HG2 VAL 70 -0.440 -1.623 5.983 511 H ILE 71 H ILE 71 0.603 0.714 5.901 512 HA ILE 71 HA ILE 71 2.321 -0.383 3.877 513 HB ILE 71 HB ILE 71 0.290 1.847 3.712 514 HG12 ILE 71 1HG1 ILE 71 0.082 -1.029 2.800 515 HG13 ILE 71 2HG1 ILE 71 -0.583 -0.425 4.314 516 HG21 ILE 71 1HG2 ILE 71 0.407 1.219 1.226 517 HG22 ILE 71 2HG2 ILE 71 1.707 2.204 1.895 518 HG23 ILE 71 3HG2 ILE 71 1.955 0.478 1.629 519 HD11 ILE 71 1HD1 ILE 71 -1.762 -0.436 1.748 520 HD12 ILE 71 2HD1 ILE 71 -2.429 0.172 3.264 521 HD13 ILE 71 3HD1 ILE 71 -1.503 1.245 2.215 522 H ARG 72 H ARG 72 4.214 0.384 3.217 523 HA ARG 72 HA ARG 72 4.948 3.135 3.978 524 HB2 ARG 72 1HB ARG 72 6.796 0.789 3.507 525 HB3 ARG 72 2HB ARG 72 7.268 2.397 4.038 526 HG2 ARG 72 1HG ARG 72 5.891 2.047 6.086 527 HG3 ARG 72 2HG ARG 72 5.639 0.381 5.563 528 HD2 ARG 72 1HD ARG 72 8.116 0.095 5.525 529 HD3 ARG 72 2HD ARG 72 8.264 1.706 6.225 530 HE ARG 72 HE ARG 72 6.655 0.513 7.987 531 HH11 ARG 72 1HH1 ARG 72 9.613 -0.560 6.496 532 HH12 ARG 72 2HH1 ARG 72 10.092 -1.535 7.845 533 HH21 ARG 72 1HH2 ARG 72 7.276 -0.768 9.770 534 HH22 ARG 72 2HH2 ARG 72 8.762 -1.654 9.706 535 H CYS 73 H CYS 73 5.513 4.527 2.420 536 HA CYS 73 HA CYS 73 5.817 3.466 -0.312 537 HB2 CYS 73 1HB CYS 73 3.809 4.762 -0.201 538 HB3 CYS 73 2HB CYS 73 4.623 6.063 0.659 539 HG CYS 73 HG CYS 73 3.958 6.096 -2.391 540 H ASN 74 H ASN 74 7.888 3.484 -0.884 541 HA ASN 74 HA ASN 74 10.008 4.196 -1.297 542 HB2 ASN 74 1HB ASN 74 8.498 6.751 -1.030 543 HB3 ASN 74 2HB ASN 74 10.257 6.836 -1.009 544 HD21 ASN 74 1HD2 ASN 74 8.642 7.977 -2.989 545 HD22 ASN 74 2HD2 ASN 74 8.969 7.176 -4.484 546 H GLY 75 H GLY 75 9.214 3.378 1.374 547 HA2 GLY 75 1HA GLY 75 10.518 3.062 3.286 548 HA3 GLY 75 2HA GLY 75 11.533 4.408 2.788 549 H GLU 76 H GLU 76 8.569 5.628 2.448 550 HA GLU 76 HA GLU 76 8.449 6.560 5.242 551 HB2 GLU 76 1HB GLU 76 7.965 8.058 2.671 552 HB3 GLU 76 2HB GLU 76 7.430 8.663 4.232 553 HG2 GLU 76 1HG GLU 76 9.460 9.733 3.860 554 HG3 GLU 76 2HG GLU 76 9.856 8.422 4.969 555 H THR 77 H THR 77 6.632 6.122 6.292 556 HA THR 77 HA THR 77 4.529 4.644 5.234 557 HB THR 77 HB THR 77 3.282 5.183 7.276 558 HG1 THR 77 HG1 THR 77 5.118 7.284 7.348 559 HG21 THR 77 1HG2 THR 77 4.697 4.091 8.761 560 HG22 THR 77 2HG2 THR 77 6.138 4.892 8.134 561 HG23 THR 77 3HG2 THR 77 5.355 3.622 7.194 562 H LEU 78 H LEU 78 2.540 5.125 4.409 563 HA LEU 78 HA LEU 78 2.117 7.296 2.831 564 HB2 LEU 78 1HB LEU 78 0.003 5.779 4.364 565 HB3 LEU 78 2HB LEU 78 -0.300 6.809 2.978 566 HG LEU 78 HG LEU 78 1.443 4.350 2.872 567 HD11 LEU 78 1HD1 LEU 78 -1.313 4.478 1.734 568 HD12 LEU 78 2HD1 LEU 78 -0.342 3.074 2.178 569 HD13 LEU 78 3HD1 LEU 78 -1.081 4.068 3.433 570 HD21 LEU 78 1HD2 LEU 78 0.091 5.576 0.524 571 HD22 LEU 78 2HD2 LEU 78 1.531 6.363 1.170 572 HD23 LEU 78 3HD2 LEU 78 1.613 4.690 0.620 573 H ARG 79 H ARG 79 1.193 6.985 6.239 574 HA ARG 79 HA ARG 79 -0.200 9.355 6.561 575 HB2 ARG 79 1HB ARG 79 0.058 7.540 8.268 576 HB3 ARG 79 2HB ARG 79 1.679 8.140 8.591 577 HG2 ARG 79 1HG ARG 79 0.360 10.410 8.951 578 HG3 ARG 79 2HG ARG 79 -0.953 9.289 9.314 579 HD2 ARG 79 1HD ARG 79 1.770 9.089 10.579 580 HD3 ARG 79 2HD ARG 79 0.459 10.041 11.276 581 HE ARG 79 HE ARG 79 0.765 7.221 11.404 582 HH11 ARG 79 1HH1 ARG 79 -1.626 9.738 11.151 583 HH12 ARG 79 2HH1 ARG 79 -2.880 8.802 11.895 584 HH21 ARG 79 1HH2 ARG 79 -0.877 5.978 12.385 585 HH22 ARG 79 2HH2 ARG 79 -2.453 6.664 12.597 586 H HIS 80 H HIS 80 3.292 8.784 6.735 587 HA HIS 80 HA HIS 80 4.091 11.323 7.565 588 HB2 HIS 80 1HB HIS 80 5.551 9.286 7.397 589 HB3 HIS 80 2HB HIS 80 5.603 9.532 5.654 590 HD1 HIS 80 HD1 HIS 80 7.153 10.619 8.798 591 HD2 HIS 80 HD2 HIS 80 6.974 11.948 4.865 592 HE1 HIS 80 HE1 HIS 80 9.011 12.299 8.570 593 HE2 HIS 80 HE2 HIS 80 8.829 13.152 6.207 594 H LEU 81 H LEU 81 3.499 10.069 4.306 595 HA LEU 81 HA LEU 81 4.357 12.316 2.871 596 HB2 LEU 81 1HB LEU 81 2.216 10.300 2.186 597 HB3 LEU 81 2HB LEU 81 2.898 11.453 1.054 598 HG LEU 81 HG LEU 81 4.488 9.308 2.463 599 HD11 LEU 81 1HD1 LEU 81 3.628 9.348 -0.418 600 HD12 LEU 81 2HD1 LEU 81 4.422 8.044 0.465 601 HD13 LEU 81 3HD1 LEU 81 2.754 8.476 0.842 602 HD21 LEU 81 1HD2 LEU 81 6.228 10.533 1.809 603 HD22 LEU 81 2HD2 LEU 81 5.784 10.128 0.152 604 HD23 LEU 81 3HD2 LEU 81 5.200 11.623 0.880 605 H GLU 82 H GLU 82 1.196 11.497 4.234 606 HA GLU 82 HA GLU 82 -0.239 13.659 3.159 607 HB2 GLU 82 1HB GLU 82 -1.195 11.607 4.281 608 HB3 GLU 82 2HB GLU 82 -0.769 12.339 5.821 609 HG2 GLU 82 1HG GLU 82 -2.924 13.018 5.680 610 HG3 GLU 82 2HG GLU 82 -2.153 14.361 4.839 611 H GLN 83 H GLN 83 1.588 13.325 6.168 612 HA GLN 83 HA GLN 83 0.886 15.754 7.352 613 HB2 GLN 83 1HB GLN 83 3.491 14.231 7.539 614 HB3 GLN 83 2HB GLN 83 3.004 15.530 8.620 615 HG2 GLN 83 1HG GLN 83 1.370 13.040 8.264 616 HG3 GLN 83 2HG GLN 83 2.675 13.159 9.442 617 HE21 GLN 83 1HE2 GLN 83 1.099 12.796 11.074 618 HE22 GLN 83 2HE2 GLN 83 0.082 14.083 11.616 619 H LYS 84 H LYS 84 3.311 14.992 4.924 620 HA LYS 84 HA LYS 84 4.390 17.679 4.941 621 HB2 LYS 84 1HB LYS 84 4.943 15.250 3.237 622 HB3 LYS 84 2HB LYS 84 5.720 16.804 2.967 623 HG2 LYS 84 1HG LYS 84 6.986 16.661 4.873 624 HG3 LYS 84 2HG LYS 84 5.846 15.581 5.679 625 HD2 LYS 84 1HD LYS 84 7.555 14.125 5.181 626 HD3 LYS 84 2HD LYS 84 6.524 13.929 3.762 627 HE2 LYS 84 1HE LYS 84 7.930 15.652 2.613 628 HE3 LYS 84 2HE LYS 84 9.020 15.603 3.998 629 HZ1 LYS 84 1HZ LYS 84 9.405 13.260 3.574 630 HZ2 LYS 84 2HZ LYS 84 9.788 14.175 2.204 631 HZ3 LYS 84 3HZ LYS 84 8.345 13.293 2.255 632 H GLY 85 H GLY 85 1.542 16.678 3.990 633 HA2 GLY 85 1HA GLY 85 -0.022 17.471 2.508 634 HA3 GLY 85 2HA GLY 85 1.083 18.800 2.195 635 H LEU 86 H LEU 86 1.924 15.444 1.660 636 HA LEU 86 HA LEU 86 2.140 16.031 -1.209 637 HB2 LEU 86 1HB LEU 86 3.360 13.704 0.265 638 HB3 LEU 86 2HB LEU 86 3.760 14.280 -1.342 639 HG LEU 86 HG LEU 86 4.225 15.930 1.135 640 HD11 LEU 86 1HD1 LEU 86 5.443 13.699 1.116 641 HD12 LEU 86 2HD1 LEU 86 6.318 14.315 -0.286 642 HD13 LEU 86 3HD1 LEU 86 6.435 15.150 1.262 643 HD21 LEU 86 1HD2 LEU 86 5.794 17.120 -0.329 644 HD22 LEU 86 2HD2 LEU 86 5.320 16.079 -1.671 645 HD23 LEU 86 3HD2 LEU 86 4.144 17.176 -0.948 646 H LEU 87 H LEU 87 0.831 13.714 1.100 647 HA LEU 87 HA LEU 87 -0.559 12.339 -1.095 648 HB2 LEU 87 1HB LEU 87 0.854 10.984 0.455 649 HB3 LEU 87 2HB LEU 87 -0.216 11.441 1.766 650 HG LEU 87 HG LEU 87 -2.089 10.392 0.325 651 HD11 LEU 87 1HD1 LEU 87 -0.065 10.132 -1.501 652 HD12 LEU 87 2HD1 LEU 87 -0.147 8.522 -0.785 653 HD13 LEU 87 3HD1 LEU 87 -1.584 9.235 -1.516 654 HD21 LEU 87 1HD2 LEU 87 -0.741 8.053 1.068 655 HD22 LEU 87 2HD2 LEU 87 -0.204 9.298 2.195 656 HD23 LEU 87 3HD2 LEU 87 -1.925 8.958 2.011 657 H PHE 88 H PHE 88 -2.763 12.177 -1.146 658 HA PHE 88 HA PHE 88 -4.215 14.107 0.455 659 HB2 PHE 88 1HB PHE 88 -5.900 13.976 -1.129 660 HB3 PHE 88 2HB PHE 88 -4.483 13.586 -2.100 661 HD1 PHE 88 HD1 PHE 88 -3.911 10.890 -1.820 662 HD2 PHE 88 HD2 PHE 88 -7.741 12.742 -1.678 663 HE1 PHE 88 HE1 PHE 88 -4.959 8.769 -2.498 664 HE2 PHE 88 HE2 PHE 88 -8.794 10.624 -2.355 665 HZ PHE 88 HZ PHE 88 -7.403 8.634 -2.765 666 H SER 89 H SER 89 -4.019 10.620 0.057 667 HA SER 89 HA SER 89 -4.956 8.880 1.195 668 HB2 SER 89 1HB SER 89 -3.506 9.799 2.958 669 HB3 SER 89 2HB SER 89 -4.810 10.865 3.478 670 HG SER 89 HG SER 89 -4.687 8.043 3.620 671 H GLY 90 H GLY 90 -6.834 10.287 -0.245 672 HA2 GLY 90 1HA GLY 90 -9.142 10.187 -0.447 673 HA3 GLY 90 2HA GLY 90 -9.230 9.618 1.213 674 HA PRO 91 HA PRO 91 -10.558 14.150 0.765 675 HB2 PRO 91 1HB PRO 91 -13.214 13.794 1.202 676 HB3 PRO 91 2HB PRO 91 -12.492 13.756 -0.411 677 HG2 PRO 91 1HG PRO 91 -13.267 11.479 1.371 678 HG3 PRO 91 2HG PRO 91 -13.513 11.667 -0.375 679 HD2 PRO 91 1HD PRO 91 -11.512 10.166 0.661 680 HD3 PRO 91 2HD PRO 91 -11.351 11.043 -0.874 681 H SER 92 H SER 92 -10.347 11.717 2.982 682 HA SER 92 HA SER 92 -11.804 12.488 5.195 683 HB2 SER 92 1HB SER 92 -9.973 11.430 6.544 684 HB3 SER 92 2HB SER 92 -10.550 10.427 5.213 685 HG SER 92 HG SER 92 -8.619 10.476 4.406 686 H SER 93 H SER 93 -11.977 14.539 5.858 687 HA SER 93 HA SER 93 -9.858 16.436 5.698 688 HB2 SER 93 1HB SER 93 -12.194 17.146 5.580 689 HB3 SER 93 2HB SER 93 -12.477 16.548 7.215 690 HG SER 93 HG SER 93 -10.474 18.463 6.702 691 H GLY 94 H GLY 94 -8.525 17.247 7.278 692 HA2 GLY 94 1HA GLY 94 -7.491 17.423 9.342 693 HA3 GLY 94 2HA GLY 94 -8.779 16.445 10.031 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -6.422 5.917 -34.370 2 HA2 GLY 1 1HA GLY 1 -7.301 8.006 -36.088 3 HA3 GLY 1 2HA GLY 1 -8.279 7.956 -34.630 4 H SER 2 H SER 2 -6.644 7.495 -32.619 5 HA SER 2 HA SER 2 -4.369 9.326 -32.855 6 HB2 SER 2 1HB SER 2 -5.010 10.653 -31.000 7 HB3 SER 2 2HB SER 2 -6.466 10.511 -31.984 8 HG SER 2 HG SER 2 -7.394 9.375 -30.459 9 H SER 3 H SER 3 -2.928 9.220 -30.933 10 HA SER 3 HA SER 3 -2.170 6.589 -30.385 11 HB2 SER 3 1HB SER 3 -0.525 7.504 -28.921 12 HB3 SER 3 2HB SER 3 -0.737 8.682 -30.217 13 HG SER 3 HG SER 3 -0.919 9.940 -28.498 14 H GLY 4 H GLY 4 -4.017 8.898 -28.426 15 HA2 GLY 4 1HA GLY 4 -5.626 6.987 -27.196 16 HA3 GLY 4 2HA GLY 4 -4.244 7.241 -26.140 17 H SER 5 H SER 5 -5.684 8.056 -24.540 18 HA SER 5 HA SER 5 -7.014 10.587 -25.139 19 HB2 SER 5 1HB SER 5 -8.250 10.287 -23.152 20 HB3 SER 5 2HB SER 5 -8.102 8.662 -23.822 21 HG SER 5 HG SER 5 -7.312 8.200 -21.931 22 H SER 6 H SER 6 -6.624 12.491 -23.973 23 HA SER 6 HA SER 6 -3.877 12.761 -23.074 24 HB2 SER 6 1HB SER 6 -4.178 15.100 -23.284 25 HB3 SER 6 2HB SER 6 -5.088 14.404 -24.625 26 HG SER 6 HG SER 6 -6.112 15.353 -22.155 27 H GLY 7 H GLY 7 -3.297 12.615 -21.016 28 HA2 GLY 7 1HA GLY 7 -5.363 12.748 -18.945 29 HA3 GLY 7 2HA GLY 7 -3.741 12.098 -18.751 30 H ASN 8 H ASN 8 -3.439 13.311 -16.847 31 HA ASN 8 HA ASN 8 -3.731 16.130 -16.749 32 HB2 ASN 8 1HB ASN 8 -1.879 14.535 -14.986 33 HB3 ASN 8 2HB ASN 8 -2.754 16.012 -14.596 34 HD21 ASN 8 1HD2 ASN 8 -4.593 15.820 -13.532 35 HD22 ASN 8 2HD2 ASN 8 -5.506 14.364 -13.347 36 H ASP 9 H ASP 9 -2.386 17.728 -17.317 37 HA ASP 9 HA ASP 9 -0.118 17.184 -18.929 38 HB2 ASP 9 1HB ASP 9 -1.076 19.764 -17.674 39 HB3 ASP 9 2HB ASP 9 0.220 19.656 -18.861 40 H ALA 10 H ALA 10 -0.519 17.241 -15.593 41 HA ALA 10 HA ALA 10 2.126 18.195 -14.927 42 HB1 ALA 10 1HB ALA 10 -0.273 17.341 -13.440 43 HB2 ALA 10 2HB ALA 10 1.275 17.054 -12.644 44 HB3 ALA 10 3HB ALA 10 0.830 18.686 -13.146 45 H VAL 11 H VAL 11 3.920 17.012 -14.725 46 HA VAL 11 HA VAL 11 3.680 14.092 -14.992 47 HB VAL 11 HB VAL 11 6.054 15.875 -15.554 48 HG11 VAL 11 1HG1 VAL 11 7.195 13.942 -16.344 49 HG12 VAL 11 2HG1 VAL 11 6.579 13.560 -14.735 50 HG13 VAL 11 3HG1 VAL 11 5.753 12.942 -16.166 51 HG21 VAL 11 1HG2 VAL 11 5.293 16.108 -17.630 52 HG22 VAL 11 2HG2 VAL 11 5.052 14.369 -17.794 53 HG23 VAL 11 3HG2 VAL 11 3.779 15.374 -17.103 54 H ASP 12 H ASP 12 4.916 16.651 -12.985 55 HA ASP 12 HA ASP 12 6.496 14.903 -11.322 56 HB2 ASP 12 1HB ASP 12 6.956 16.867 -9.995 57 HB3 ASP 12 2HB ASP 12 7.083 17.298 -11.699 58 H PHE 13 H PHE 13 3.427 14.737 -11.708 59 HA PHE 13 HA PHE 13 2.885 14.008 -8.962 60 HB2 PHE 13 1HB PHE 13 2.059 16.132 -8.614 61 HB3 PHE 13 2HB PHE 13 1.595 16.342 -10.300 62 HD1 PHE 13 HD1 PHE 13 0.720 14.051 -7.482 63 HD2 PHE 13 HD2 PHE 13 -0.653 16.503 -10.678 64 HE1 PHE 13 HE1 PHE 13 -1.606 13.496 -6.903 65 HE2 PHE 13 HE2 PHE 13 -2.981 15.954 -10.104 66 HZ PHE 13 HZ PHE 13 -3.461 14.449 -8.214 67 H SER 14 H SER 14 2.389 11.941 -9.397 68 HA SER 14 HA SER 14 0.418 11.401 -11.516 69 HB2 SER 14 1HB SER 14 1.327 9.214 -11.729 70 HB3 SER 14 2HB SER 14 2.714 10.298 -11.623 71 HG SER 14 HG SER 14 3.268 9.394 -9.805 72 HA PRO 15 HA PRO 15 -2.567 10.287 -8.480 73 HB2 PRO 15 1HB PRO 15 -4.125 8.652 -9.985 74 HB3 PRO 15 2HB PRO 15 -4.113 10.409 -10.174 75 HG2 PRO 15 1HG PRO 15 -2.702 8.321 -11.790 76 HG3 PRO 15 2HG PRO 15 -3.571 9.765 -12.342 77 HD2 PRO 15 1HD PRO 15 -0.871 9.670 -12.160 78 HD3 PRO 15 2HD PRO 15 -1.795 11.161 -11.887 79 H THR 16 H THR 16 -0.197 8.267 -9.554 80 HA THR 16 HA THR 16 -1.176 6.019 -7.916 81 HB THR 16 HB THR 16 0.295 4.542 -9.246 82 HG1 THR 16 HG1 THR 16 1.587 5.344 -10.737 83 HG21 THR 16 1HG2 THR 16 -1.267 4.191 -10.872 84 HG22 THR 16 2HG2 THR 16 -1.361 5.899 -11.303 85 HG23 THR 16 3HG2 THR 16 -2.182 5.307 -9.859 86 H LEU 17 H LEU 17 0.131 5.220 -6.338 87 HA LEU 17 HA LEU 17 2.839 6.331 -6.094 88 HB2 LEU 17 1HB LEU 17 0.930 6.068 -3.775 89 HB3 LEU 17 2HB LEU 17 2.538 6.766 -3.747 90 HG LEU 17 HG LEU 17 0.209 7.926 -5.278 91 HD11 LEU 17 1HD1 LEU 17 0.834 8.025 -2.481 92 HD12 LEU 17 2HD1 LEU 17 0.994 9.629 -3.197 93 HD13 LEU 17 3HD1 LEU 17 -0.522 8.742 -3.352 94 HD21 LEU 17 1HD2 LEU 17 2.558 8.393 -6.084 95 HD22 LEU 17 2HD2 LEU 17 1.587 9.805 -5.669 96 HD23 LEU 17 3HD2 LEU 17 2.822 9.226 -4.552 97 HA PRO 18 HA PRO 18 3.917 2.109 -5.413 98 HB2 PRO 18 1HB PRO 18 6.392 2.506 -4.369 99 HB3 PRO 18 2HB PRO 18 6.031 2.707 -6.088 100 HG2 PRO 18 1HG PRO 18 6.268 4.786 -3.946 101 HG3 PRO 18 2HG PRO 18 6.893 4.812 -5.606 102 HD2 PRO 18 1HD PRO 18 4.630 6.110 -4.880 103 HD3 PRO 18 2HD PRO 18 4.854 5.413 -6.498 104 H VAL 19 H VAL 19 2.960 0.996 -3.828 105 HA VAL 19 HA VAL 19 3.559 1.740 -1.038 106 HB VAL 19 HB VAL 19 1.389 0.745 -0.410 107 HG11 VAL 19 1HG1 VAL 19 1.783 3.172 -1.942 108 HG12 VAL 19 2HG1 VAL 19 0.128 2.572 -2.070 109 HG13 VAL 19 3HG1 VAL 19 0.829 2.900 -0.485 110 HG21 VAL 19 1HG2 VAL 19 -0.044 0.766 -2.799 111 HG22 VAL 19 2HG2 VAL 19 1.443 -0.107 -3.169 112 HG23 VAL 19 3HG2 VAL 19 0.410 -0.647 -1.846 113 H THR 20 H THR 20 3.775 0.030 0.481 114 HA THR 20 HA THR 20 3.942 -2.694 -0.519 115 HB THR 20 HB THR 20 6.254 -2.977 0.451 116 HG1 THR 20 HG1 THR 20 7.475 -0.970 0.549 117 HG21 THR 20 1HG2 THR 20 5.934 -1.136 -1.922 118 HG22 THR 20 2HG2 THR 20 5.930 -2.900 -1.951 119 HG23 THR 20 3HG2 THR 20 7.402 -2.027 -1.524 120 H CYS 21 H CYS 21 3.243 -4.077 0.979 121 HA CYS 21 HA CYS 21 3.380 -3.272 3.807 122 HB2 CYS 21 1HB CYS 21 1.083 -2.992 2.913 123 HB3 CYS 21 2HB CYS 21 1.065 -4.698 2.483 124 HG CYS 21 HG CYS 21 1.865 -4.513 5.634 125 H GLY 22 H GLY 22 4.954 -4.583 4.550 126 HA2 GLY 22 1HA GLY 22 6.062 -6.508 5.132 127 HA3 GLY 22 2HA GLY 22 4.477 -7.267 5.093 128 H LYS 23 H LYS 23 4.115 -8.788 3.610 129 HA LYS 23 HA LYS 23 6.191 -9.251 1.600 130 HB2 LYS 23 1HB LYS 23 3.901 -11.094 2.263 131 HB3 LYS 23 2HB LYS 23 5.425 -11.494 1.481 132 HG2 LYS 23 1HG LYS 23 5.182 -10.577 4.337 133 HG3 LYS 23 2HG LYS 23 5.247 -12.268 3.833 134 HD2 LYS 23 1HD LYS 23 7.448 -11.993 2.947 135 HD3 LYS 23 2HD LYS 23 7.374 -10.242 3.157 136 HE2 LYS 23 1HE LYS 23 7.174 -12.175 5.455 137 HE3 LYS 23 2HE LYS 23 8.711 -11.530 4.881 138 HZ1 LYS 23 1HZ LYS 23 8.235 -9.454 5.649 139 HZ2 LYS 23 2HZ LYS 23 7.381 -10.363 6.791 140 HZ3 LYS 23 3HZ LYS 23 6.560 -9.641 5.501 141 H ALA 24 H ALA 24 3.826 -7.283 1.527 142 HA ALA 24 HA ALA 24 2.758 -8.159 -1.078 143 HB1 ALA 24 1HB ALA 24 0.682 -7.591 -0.478 144 HB2 ALA 24 2HB ALA 24 1.297 -7.615 1.176 145 HB3 ALA 24 3HB ALA 24 1.215 -6.094 0.288 146 H LYS 25 H LYS 25 2.787 -6.733 -2.770 147 HA LYS 25 HA LYS 25 3.736 -4.009 -2.310 148 HB2 LYS 25 1HB LYS 25 5.050 -5.858 -4.307 149 HB3 LYS 25 2HB LYS 25 5.476 -4.181 -3.995 150 HG2 LYS 25 1HG LYS 25 6.036 -4.873 -1.643 151 HG3 LYS 25 2HG LYS 25 5.846 -6.545 -2.176 152 HD2 LYS 25 1HD LYS 25 7.657 -4.666 -3.649 153 HD3 LYS 25 2HD LYS 25 8.207 -5.484 -2.185 154 HE2 LYS 25 1HE LYS 25 6.937 -7.054 -4.390 155 HE3 LYS 25 2HE LYS 25 8.626 -6.564 -4.520 156 HZ1 LYS 25 1HZ LYS 25 8.147 -8.818 -3.498 157 HZ2 LYS 25 2HZ LYS 25 7.598 -7.979 -2.136 158 HZ3 LYS 25 3HZ LYS 25 9.202 -7.806 -2.646 159 H GLY 26 H GLY 26 2.829 -2.543 -3.648 160 HA2 GLY 26 1HA GLY 26 1.811 -3.265 -6.243 161 HA3 GLY 26 2HA GLY 26 0.542 -2.992 -5.057 162 H THR 27 H THR 27 -0.308 -1.157 -5.954 163 HA THR 27 HA THR 27 1.210 1.274 -5.516 164 HB THR 27 HB THR 27 0.133 0.593 -8.259 165 HG1 THR 27 HG1 THR 27 2.250 -0.253 -7.648 166 HG21 THR 27 1HG2 THR 27 -0.226 2.817 -8.366 167 HG22 THR 27 2HG2 THR 27 1.526 2.913 -8.541 168 HG23 THR 27 3HG2 THR 27 0.783 3.148 -6.959 169 H LEU 28 H LEU 28 -0.079 2.779 -4.673 170 HA LEU 28 HA LEU 28 -2.937 2.309 -4.591 171 HB2 LEU 28 1HB LEU 28 -2.016 2.959 -2.523 172 HB3 LEU 28 2HB LEU 28 -1.094 4.263 -3.247 173 HG LEU 28 HG LEU 28 -3.543 5.154 -3.826 174 HD11 LEU 28 1HD1 LEU 28 -4.077 2.952 -2.159 175 HD12 LEU 28 2HD1 LEU 28 -4.377 4.400 -1.199 176 HD13 LEU 28 3HD1 LEU 28 -5.206 4.177 -2.738 177 HD21 LEU 28 1HD2 LEU 28 -1.521 5.853 -2.107 178 HD22 LEU 28 2HD2 LEU 28 -2.976 6.797 -2.423 179 HD23 LEU 28 3HD2 LEU 28 -2.914 5.712 -1.035 180 H PHE 29 H PHE 29 -4.453 3.383 -5.707 181 HA PHE 29 HA PHE 29 -3.546 5.550 -7.481 182 HB2 PHE 29 1HB PHE 29 -5.802 3.564 -7.791 183 HB3 PHE 29 2HB PHE 29 -5.564 4.942 -8.860 184 HD1 PHE 29 HD2 PHE 29 -3.366 2.299 -7.399 185 HD2 PHE 29 HD1 PHE 29 -4.675 4.364 -10.883 186 HE1 PHE 29 HE2 PHE 29 -1.817 0.964 -8.768 187 HE2 PHE 29 HE1 PHE 29 -3.129 3.032 -12.258 188 HZ PHE 29 HZ PHE 29 -1.697 1.330 -11.201 189 H GLN 30 H GLN 30 -3.961 7.404 -6.416 190 HA GLN 30 HA GLN 30 -5.812 7.995 -4.524 191 HB2 GLN 30 1HB GLN 30 -5.322 9.992 -6.706 192 HB3 GLN 30 2HB GLN 30 -5.462 10.257 -4.973 193 HG2 GLN 30 1HG GLN 30 -3.285 8.868 -4.832 194 HG3 GLN 30 2HG GLN 30 -3.135 9.248 -6.547 195 HE21 GLN 30 1HE2 GLN 30 -2.544 10.291 -3.419 196 HE22 GLN 30 2HE2 GLN 30 -2.116 11.928 -3.768 197 H GLU 31 H GLU 31 -6.345 7.897 -8.010 198 HA GLU 31 HA GLU 31 -8.933 8.974 -8.049 199 HB2 GLU 31 1HB GLU 31 -7.944 8.809 -10.147 200 HB3 GLU 31 2HB GLU 31 -7.396 7.161 -9.871 201 HG2 GLU 31 1HG GLU 31 -9.392 6.244 -10.470 202 HG3 GLU 31 2HG GLU 31 -10.319 7.655 -9.964 203 H LYS 32 H LYS 32 -7.815 5.629 -7.705 204 HA LYS 32 HA LYS 32 -10.504 4.608 -7.468 205 HB2 LYS 32 1HB LYS 32 -7.759 3.440 -7.432 206 HB3 LYS 32 2HB LYS 32 -9.064 2.514 -6.702 207 HG2 LYS 32 1HG LYS 32 -10.111 2.148 -8.699 208 HG3 LYS 32 2HG LYS 32 -9.472 3.621 -9.431 209 HD2 LYS 32 1HD LYS 32 -7.214 2.541 -9.430 210 HD3 LYS 32 2HD LYS 32 -7.992 1.047 -8.902 211 HE2 LYS 32 1HE LYS 32 -7.840 0.805 -11.215 212 HE3 LYS 32 2HE LYS 32 -9.499 1.345 -10.960 213 HZ1 LYS 32 1HZ LYS 32 -7.277 2.715 -12.237 214 HZ2 LYS 32 2HZ LYS 32 -8.277 3.678 -11.272 215 HZ3 LYS 32 3HZ LYS 32 -8.935 2.804 -12.562 216 H LEU 33 H LEU 33 -8.330 6.114 -5.395 217 HA LEU 33 HA LEU 33 -9.221 4.732 -2.996 218 HB2 LEU 33 1HB LEU 33 -6.854 5.514 -3.334 219 HB3 LEU 33 2HB LEU 33 -7.444 7.160 -3.210 220 HG LEU 33 HG LEU 33 -8.247 6.670 -0.915 221 HD11 LEU 33 1HD1 LEU 33 -8.466 4.571 -0.241 222 HD12 LEU 33 2HD1 LEU 33 -7.702 3.989 -1.720 223 HD13 LEU 33 3HD1 LEU 33 -6.714 4.383 -0.314 224 HD21 LEU 33 1HD2 LEU 33 -6.090 7.719 -1.221 225 HD22 LEU 33 2HD2 LEU 33 -6.014 6.580 0.123 226 HD23 LEU 33 3HD2 LEU 33 -5.325 6.145 -1.441 227 H LYS 34 H LYS 34 -9.699 7.775 -4.669 228 HA LYS 34 HA LYS 34 -10.898 9.327 -2.743 229 HB2 LYS 34 1HB LYS 34 -11.406 9.067 -5.695 230 HB3 LYS 34 2HB LYS 34 -12.317 10.209 -4.715 231 HG2 LYS 34 1HG LYS 34 -10.020 11.071 -3.954 232 HG3 LYS 34 2HG LYS 34 -9.391 10.189 -5.348 233 HD2 LYS 34 1HD LYS 34 -11.344 11.477 -6.585 234 HD3 LYS 34 2HD LYS 34 -11.127 12.603 -5.243 235 HE2 LYS 34 1HE LYS 34 -9.733 13.359 -7.009 236 HE3 LYS 34 2HE LYS 34 -8.676 12.629 -5.801 237 HZ1 LYS 34 1HZ LYS 34 -9.593 10.787 -7.815 238 HZ2 LYS 34 2HZ LYS 34 -8.033 11.047 -7.217 239 HZ3 LYS 34 3HZ LYS 34 -8.649 12.049 -8.433 240 H GLN 35 H GLN 35 -12.436 6.867 -4.791 241 HA GLN 35 HA GLN 35 -15.062 7.162 -4.039 242 HB2 GLN 35 1HB GLN 35 -13.684 4.505 -4.447 243 HB3 GLN 35 2HB GLN 35 -15.395 4.851 -4.660 244 HG2 GLN 35 1HG GLN 35 -13.087 5.557 -6.400 245 HG3 GLN 35 2HG GLN 35 -14.644 4.849 -6.825 246 HE21 GLN 35 1HE2 GLN 35 -12.810 7.662 -6.695 247 HE22 GLN 35 2HE2 GLN 35 -14.062 8.798 -7.049 248 H GLY 36 H GLY 36 -12.660 5.036 -2.474 249 HA2 GLY 36 1HA GLY 36 -13.454 5.632 0.147 250 HA3 GLY 36 2HA GLY 36 -14.339 4.205 -0.372 251 H ALA 37 H ALA 37 -12.449 4.315 1.760 252 HA ALA 37 HA ALA 37 -9.983 3.149 0.828 253 HB1 ALA 37 1HB ALA 37 -9.452 4.194 2.746 254 HB2 ALA 37 2HB ALA 37 -11.083 4.046 3.402 255 HB3 ALA 37 3HB ALA 37 -9.969 2.682 3.492 256 H SER 38 H SER 38 -12.801 1.874 0.539 257 HA SER 38 HA SER 38 -12.107 -0.751 1.680 258 HB2 SER 38 1HB SER 38 -14.710 0.638 1.234 259 HB3 SER 38 2HB SER 38 -14.674 -1.119 1.094 260 HG SER 38 HG SER 38 -13.601 0.253 3.324 261 H LYS 39 H LYS 39 -12.453 1.019 -1.192 262 HA LYS 39 HA LYS 39 -13.029 -1.266 -2.878 263 HB2 LYS 39 1HB LYS 39 -12.224 1.537 -3.674 264 HB3 LYS 39 2HB LYS 39 -12.910 0.306 -4.726 265 HG2 LYS 39 1HG LYS 39 -14.398 1.291 -2.322 266 HG3 LYS 39 2HG LYS 39 -14.444 2.164 -3.855 267 HD2 LYS 39 1HD LYS 39 -14.966 -0.759 -3.914 268 HD3 LYS 39 2HD LYS 39 -16.221 0.285 -3.243 269 HE2 LYS 39 1HE LYS 39 -16.833 0.283 -5.447 270 HE3 LYS 39 2HE LYS 39 -15.758 1.680 -5.426 271 HZ1 LYS 39 1HZ LYS 39 -13.991 0.345 -6.299 272 HZ2 LYS 39 2HZ LYS 39 -15.344 0.152 -7.295 273 HZ3 LYS 39 3HZ LYS 39 -14.923 -1.063 -6.196 274 H LYS 40 H LYS 40 -11.605 -1.947 -4.602 275 HA LYS 40 HA LYS 40 -8.929 -2.332 -3.693 276 HB2 LYS 40 1HB LYS 40 -9.964 -2.922 -6.463 277 HB3 LYS 40 2HB LYS 40 -8.635 -3.705 -5.617 278 HG2 LYS 40 1HG LYS 40 -11.289 -3.863 -4.331 279 HG3 LYS 40 2HG LYS 40 -11.075 -4.771 -5.829 280 HD2 LYS 40 1HD LYS 40 -8.908 -5.639 -4.736 281 HD3 LYS 40 2HD LYS 40 -9.608 -5.050 -3.227 282 HE2 LYS 40 1HE LYS 40 -10.342 -7.231 -3.245 283 HE3 LYS 40 2HE LYS 40 -11.700 -6.404 -4.006 284 HZ1 LYS 40 1HZ LYS 40 -11.231 -8.294 -5.311 285 HZ2 LYS 40 2HZ LYS 40 -9.569 -7.981 -5.330 286 HZ3 LYS 40 3HZ LYS 40 -10.628 -6.975 -6.183 287 H CYS 41 H CYS 41 -7.559 -0.659 -3.699 288 HA CYS 41 HA CYS 41 -7.371 0.957 -6.156 289 HB2 CYS 41 1HB CYS 41 -6.443 2.761 -4.685 290 HB3 CYS 41 2HB CYS 41 -8.127 2.364 -4.363 291 HG CYS 41 HG CYS 41 -7.825 1.894 -1.862 292 H ILE 42 H ILE 42 -5.696 -0.934 -3.780 293 HA ILE 42 HA ILE 42 -3.068 -0.196 -4.757 294 HB ILE 42 HB ILE 42 -3.818 -2.363 -2.792 295 HG12 ILE 42 1HG1 ILE 42 -2.655 0.301 -2.047 296 HG13 ILE 42 2HG1 ILE 42 -4.392 0.133 -2.276 297 HG21 ILE 42 1HG2 ILE 42 -1.544 -2.484 -2.214 298 HG22 ILE 42 2HG2 ILE 42 -1.571 -2.467 -3.977 299 HG23 ILE 42 3HG2 ILE 42 -1.158 -1.002 -3.088 300 HD11 ILE 42 1HD1 ILE 42 -3.621 -0.081 0.078 301 HD12 ILE 42 2HD1 ILE 42 -4.538 -1.465 -0.517 302 HD13 ILE 42 3HD1 ILE 42 -2.782 -1.561 -0.386 303 H GLN 43 H GLN 43 -2.568 -0.948 -6.724 304 HA GLN 43 HA GLN 43 -3.380 -3.643 -7.499 305 HB2 GLN 43 1HB GLN 43 -3.575 -1.524 -8.982 306 HB3 GLN 43 2HB GLN 43 -1.849 -1.738 -9.245 307 HG2 GLN 43 1HG GLN 43 -2.369 -4.080 -10.003 308 HG3 GLN 43 2HG GLN 43 -4.071 -3.624 -9.970 309 HE21 GLN 43 1HE2 GLN 43 -4.556 -3.645 -12.082 310 HE22 GLN 43 2HE2 GLN 43 -3.791 -2.662 -13.278 311 H ASN 44 H ASN 44 -2.066 -5.269 -7.035 312 HA ASN 44 HA ASN 44 0.665 -4.902 -6.315 313 HB2 ASN 44 1HB ASN 44 0.694 -7.181 -5.814 314 HB3 ASN 44 2HB ASN 44 -0.998 -6.755 -5.573 315 HD21 ASN 44 1HD2 ASN 44 -2.267 -6.895 -7.755 316 HD22 ASN 44 2HD2 ASN 44 -2.048 -8.380 -8.610 317 H GLU 45 H GLU 45 2.283 -6.590 -7.384 318 HA GLU 45 HA GLU 45 2.910 -5.588 -9.922 319 HB2 GLU 45 1HB GLU 45 3.848 -8.181 -8.682 320 HB3 GLU 45 2HB GLU 45 4.627 -7.322 -10.003 321 HG2 GLU 45 1HG GLU 45 4.203 -5.908 -7.420 322 HG3 GLU 45 2HG GLU 45 5.495 -7.101 -7.546 323 H ALA 46 H ALA 46 0.917 -8.248 -8.935 324 HA ALA 46 HA ALA 46 0.888 -9.580 -11.471 325 HB1 ALA 46 1HB ALA 46 -0.592 -11.089 -10.518 326 HB2 ALA 46 2HB ALA 46 0.350 -10.540 -9.131 327 HB3 ALA 46 3HB ALA 46 -1.264 -9.889 -9.414 328 H GLY 47 H GLY 47 -0.218 -6.634 -10.674 329 HA2 GLY 47 1HA GLY 47 -1.538 -5.201 -11.938 330 HA3 GLY 47 2HA GLY 47 -2.057 -6.577 -12.901 331 H ASP 48 H ASP 48 -2.709 -7.934 -10.222 332 HA ASP 48 HA ASP 48 -5.473 -7.294 -10.231 333 HB2 ASP 48 1HB ASP 48 -4.169 -9.480 -9.495 334 HB3 ASP 48 2HB ASP 48 -4.238 -8.712 -7.911 335 H TRP 49 H TRP 49 -6.714 -6.151 -8.788 336 HA TRP 49 HA TRP 49 -5.271 -4.187 -7.188 337 HB2 TRP 49 1HB TRP 49 -8.213 -4.372 -7.871 338 HB3 TRP 49 2HB TRP 49 -7.436 -3.030 -7.035 339 HD1 TRP 49 HD1 TRP 49 -7.555 -4.702 -10.504 340 HE1 TRP 49 HE1 TRP 49 -6.820 -2.970 -12.260 341 HE3 TRP 49 HE3 TRP 49 -6.172 -0.908 -7.370 342 HZ2 TRP 49 HZ2 TRP 49 -5.789 -0.343 -12.309 343 HZ3 TRP 49 HZ3 TRP 49 -5.321 1.182 -8.351 344 HH2 TRP 49 HH2 TRP 49 -5.134 1.456 -10.770 345 H LEU 50 H LEU 50 -5.582 -3.873 -4.992 346 HA LEU 50 HA LEU 50 -7.129 -5.940 -3.581 347 HB2 LEU 50 1HB LEU 50 -4.434 -4.892 -2.718 348 HB3 LEU 50 2HB LEU 50 -5.385 -6.119 -1.903 349 HG LEU 50 HG LEU 50 -3.705 -7.305 -3.033 350 HD11 LEU 50 1HD1 LEU 50 -6.333 -7.740 -3.620 351 HD12 LEU 50 2HD1 LEU 50 -5.606 -7.656 -5.225 352 HD13 LEU 50 3HD1 LEU 50 -5.004 -8.819 -4.045 353 HD21 LEU 50 1HD2 LEU 50 -4.341 -5.848 -5.588 354 HD22 LEU 50 2HD2 LEU 50 -3.066 -5.345 -4.480 355 HD23 LEU 50 3HD2 LEU 50 -2.984 -6.925 -5.259 356 H THR 51 H THR 51 -8.291 -5.271 -1.842 357 HA THR 51 HA THR 51 -8.837 -2.493 -1.583 358 HB THR 51 HB THR 51 -10.316 -3.150 0.283 359 HG1 THR 51 HG1 THR 51 -10.448 -5.587 0.495 360 HG21 THR 51 1HG2 THR 51 -11.912 -3.963 -1.108 361 HG22 THR 51 2HG2 THR 51 -10.879 -5.260 -1.709 362 HG23 THR 51 3HG2 THR 51 -10.698 -3.623 -2.340 363 H VAL 52 H VAL 52 -8.368 -1.070 0.073 364 HA VAL 52 HA VAL 52 -5.949 -0.841 1.154 365 HB VAL 52 HB VAL 52 -8.504 -0.185 2.627 366 HG11 VAL 52 1HG1 VAL 52 -6.672 1.657 3.432 367 HG12 VAL 52 2HG1 VAL 52 -7.108 0.209 4.342 368 HG13 VAL 52 3HG1 VAL 52 -5.678 0.206 3.309 369 HG21 VAL 52 1HG2 VAL 52 -6.773 1.682 1.031 370 HG22 VAL 52 2HG2 VAL 52 -8.112 0.790 0.309 371 HG23 VAL 52 3HG2 VAL 52 -8.418 1.938 1.613 372 H LYS 53 H LYS 53 -8.439 -2.992 2.349 373 HA LYS 53 HA LYS 53 -6.887 -3.752 4.678 374 HB2 LYS 53 1HB LYS 53 -9.500 -3.627 4.407 375 HB3 LYS 53 2HB LYS 53 -9.309 -5.249 3.755 376 HG2 LYS 53 1HG LYS 53 -9.764 -5.590 6.009 377 HG3 LYS 53 2HG LYS 53 -8.010 -5.757 5.900 378 HD2 LYS 53 1HD LYS 53 -8.301 -4.402 7.769 379 HD3 LYS 53 2HD LYS 53 -7.961 -3.243 6.482 380 HE2 LYS 53 1HE LYS 53 -10.339 -2.799 6.232 381 HE3 LYS 53 2HE LYS 53 -10.711 -4.004 7.463 382 HZ1 LYS 53 1HZ LYS 53 -9.165 -1.506 7.898 383 HZ2 LYS 53 2HZ LYS 53 -9.512 -2.664 9.081 384 HZ3 LYS 53 3HZ LYS 53 -10.766 -1.773 8.375 385 H GLU 54 H GLU 54 -8.055 -5.321 1.703 386 HA GLU 54 HA GLU 54 -6.970 -7.827 2.033 387 HB2 GLU 54 1HB GLU 54 -7.527 -6.141 -0.372 388 HB3 GLU 54 2HB GLU 54 -6.665 -7.659 -0.578 389 HG2 GLU 54 1HG GLU 54 -9.178 -7.685 0.998 390 HG3 GLU 54 2HG GLU 54 -9.290 -7.508 -0.752 391 H PHE 55 H PHE 55 -5.411 -5.167 0.234 392 HA PHE 55 HA PHE 55 -3.015 -6.180 -0.388 393 HB2 PHE 55 1HB PHE 55 -3.675 -3.821 -0.760 394 HB3 PHE 55 2HB PHE 55 -3.365 -3.484 0.940 395 HD1 PHE 55 HD1 PHE 55 -1.502 -5.301 -1.739 396 HD2 PHE 55 HD2 PHE 55 -1.466 -2.239 1.218 397 HE1 PHE 55 HE1 PHE 55 0.852 -4.821 -2.269 398 HE2 PHE 55 HE2 PHE 55 0.888 -1.754 0.691 399 HZ PHE 55 HZ PHE 55 2.050 -3.045 -1.055 400 H LEU 56 H LEU 56 -3.900 -5.050 2.852 401 HA LEU 56 HA LEU 56 -1.411 -5.468 4.076 402 HB2 LEU 56 1HB LEU 56 -4.070 -5.793 5.450 403 HB3 LEU 56 2HB LEU 56 -2.550 -5.278 6.155 404 HG LEU 56 HG LEU 56 -4.145 -3.684 4.148 405 HD11 LEU 56 1HD1 LEU 56 -5.210 -2.640 5.823 406 HD12 LEU 56 2HD1 LEU 56 -4.828 -4.097 6.741 407 HD13 LEU 56 3HD1 LEU 56 -3.797 -2.673 6.877 408 HD21 LEU 56 1HD2 LEU 56 -2.071 -2.820 3.837 409 HD22 LEU 56 2HD2 LEU 56 -2.508 -1.913 5.284 410 HD23 LEU 56 3HD2 LEU 56 -1.492 -3.348 5.417 411 H ASN 57 H ASN 57 -4.295 -7.563 4.029 412 HA ASN 57 HA ASN 57 -3.365 -9.705 5.460 413 HB2 ASN 57 1HB ASN 57 -5.292 -9.422 3.203 414 HB3 ASN 57 2HB ASN 57 -4.794 -11.049 3.657 415 HD21 ASN 57 1HD2 ASN 57 -6.524 -8.209 4.606 416 HD22 ASN 57 2HD2 ASN 57 -7.296 -8.889 5.994 417 H GLU 58 H GLU 58 -2.747 -8.950 2.064 418 HA GLU 58 HA GLU 58 -1.501 -11.292 1.267 419 HB2 GLU 58 1HB GLU 58 -1.347 -8.446 0.420 420 HB3 GLU 58 2HB GLU 58 -0.081 -9.525 -0.151 421 HG2 GLU 58 1HG GLU 58 -3.030 -9.675 -0.662 422 HG3 GLU 58 2HG GLU 58 -1.716 -9.526 -1.827 423 H GLY 59 H GLY 59 -0.145 -8.503 2.971 424 HA2 GLY 59 1HA GLY 59 2.504 -9.685 3.026 425 HA3 GLY 59 2HA GLY 59 2.029 -8.151 3.739 426 H GLY 60 H GLY 60 -0.186 -9.202 5.253 427 HA2 GLY 60 1HA GLY 60 -0.449 -10.964 6.959 428 HA3 GLY 60 2HA GLY 60 1.285 -10.847 7.219 429 H ARG 61 H ARG 61 -0.823 -8.080 6.756 430 HA ARG 61 HA ARG 61 -0.348 -7.340 9.569 431 HB2 ARG 61 1HB ARG 61 -0.270 -5.725 7.051 432 HB3 ARG 61 2HB ARG 61 -0.723 -4.944 8.560 433 HG2 ARG 61 1HG ARG 61 1.817 -6.513 8.210 434 HG3 ARG 61 2HG ARG 61 1.696 -4.773 7.939 435 HD2 ARG 61 1HD ARG 61 1.034 -4.418 10.230 436 HD3 ARG 61 2HD ARG 61 0.975 -6.156 10.519 437 HE ARG 61 HE ARG 61 3.332 -4.483 10.409 438 HH11 ARG 61 1HH1 ARG 61 2.047 -7.717 10.304 439 HH12 ARG 61 2HH1 ARG 61 3.541 -8.465 10.763 440 HH21 ARG 61 1HH2 ARG 61 5.304 -5.456 11.015 441 HH22 ARG 61 2HH2 ARG 61 5.393 -7.178 11.168 442 H ALA 62 H ALA 62 -2.632 -8.730 8.063 443 HA ALA 62 HA ALA 62 -4.894 -7.209 7.829 444 HB1 ALA 62 1HB ALA 62 -4.607 -10.002 8.919 445 HB2 ALA 62 2HB ALA 62 -6.156 -9.258 8.519 446 HB3 ALA 62 3HB ALA 62 -4.953 -9.522 7.257 447 H THR 63 H THR 63 -3.574 -8.608 10.813 448 HA THR 63 HA THR 63 -5.564 -7.918 12.594 449 HB THR 63 HB THR 63 -3.653 -9.276 13.262 450 HG1 THR 63 HG1 THR 63 -3.118 -7.853 15.233 451 HG21 THR 63 1HG2 THR 63 -1.465 -8.502 13.451 452 HG22 THR 63 2HG2 THR 63 -1.960 -6.809 13.453 453 HG23 THR 63 3HG2 THR 63 -2.019 -7.744 11.959 454 H SER 64 H SER 64 -2.913 -5.922 11.372 455 HA SER 64 HA SER 64 -3.192 -3.708 13.018 456 HB2 SER 64 1HB SER 64 -1.386 -4.105 11.294 457 HB3 SER 64 2HB SER 64 -2.536 -3.573 10.069 458 HG SER 64 HG SER 64 -2.313 -1.873 12.215 459 H LYS 65 H LYS 65 -4.359 -1.794 12.895 460 HA LYS 65 HA LYS 65 -6.889 -2.016 11.439 461 HB2 LYS 65 1HB LYS 65 -5.998 -0.351 13.786 462 HB3 LYS 65 2HB LYS 65 -7.499 -0.021 12.932 463 HG2 LYS 65 1HG LYS 65 -8.033 -1.338 14.830 464 HG3 LYS 65 2HG LYS 65 -8.193 -2.375 13.410 465 HD2 LYS 65 1HD LYS 65 -6.314 -3.605 13.931 466 HD3 LYS 65 2HD LYS 65 -5.595 -2.301 14.879 467 HE2 LYS 65 1HE LYS 65 -6.864 -2.780 16.745 468 HE3 LYS 65 2HE LYS 65 -8.135 -3.564 15.808 469 HZ1 LYS 65 1HZ LYS 65 -6.025 -5.155 15.332 470 HZ2 LYS 65 2HZ LYS 65 -7.181 -5.435 16.534 471 HZ3 LYS 65 3HZ LYS 65 -5.719 -4.679 16.926 472 H ASP 66 H ASP 66 -4.236 0.273 11.993 473 HA ASP 66 HA ASP 66 -5.257 2.097 9.990 474 HB2 ASP 66 1HB ASP 66 -2.792 2.102 11.731 475 HB3 ASP 66 2HB ASP 66 -3.078 3.322 10.493 476 H TRP 67 H TRP 67 -4.987 1.681 7.906 477 HA TRP 67 HA TRP 67 -2.979 -0.128 6.952 478 HB2 TRP 67 1HB TRP 67 -3.887 0.508 4.693 479 HB3 TRP 67 2HB TRP 67 -5.088 -0.122 5.817 480 HD1 TRP 67 HD1 TRP 67 -6.897 1.622 6.786 481 HE1 TRP 67 HE1 TRP 67 -7.723 3.889 5.889 482 HE3 TRP 67 HE3 TRP 67 -3.146 2.590 3.450 483 HZ2 TRP 67 HZ2 TRP 67 -6.894 5.830 4.015 484 HZ3 TRP 67 HZ3 TRP 67 -3.238 4.673 2.144 485 HH2 TRP 67 HH2 TRP 67 -5.074 6.258 2.422 486 H LYS 68 H LYS 68 -3.332 3.331 7.192 487 HA LYS 68 HA LYS 68 -1.310 4.065 5.356 488 HB2 LYS 68 1HB LYS 68 -2.514 5.486 7.729 489 HB3 LYS 68 2HB LYS 68 -1.298 6.226 6.697 490 HG2 LYS 68 1HG LYS 68 -2.776 5.999 4.774 491 HG3 LYS 68 2HG LYS 68 -3.994 5.231 5.795 492 HD2 LYS 68 1HD LYS 68 -3.707 7.425 7.219 493 HD3 LYS 68 2HD LYS 68 -3.118 8.079 5.689 494 HE2 LYS 68 1HE LYS 68 -5.176 7.523 4.592 495 HE3 LYS 68 2HE LYS 68 -5.752 6.650 6.011 496 HZ1 LYS 68 1HZ LYS 68 -6.631 8.984 5.651 497 HZ2 LYS 68 2HZ LYS 68 -5.100 9.532 6.116 498 HZ3 LYS 68 3HZ LYS 68 -6.038 8.627 7.194 499 H GLY 69 H GLY 69 -1.240 2.933 8.635 500 HA2 GLY 69 1HA GLY 69 1.468 3.825 9.127 501 HA3 GLY 69 2HA GLY 69 0.489 2.822 10.187 502 H VAL 70 H VAL 70 -0.133 0.717 8.503 503 HA VAL 70 HA VAL 70 2.244 -0.827 8.661 504 HB VAL 70 HB VAL 70 0.939 -2.618 7.595 505 HG11 VAL 70 1HG1 VAL 70 -0.842 -2.770 9.308 506 HG12 VAL 70 2HG1 VAL 70 0.729 -2.330 9.980 507 HG13 VAL 70 3HG1 VAL 70 -0.513 -1.097 9.757 508 HG21 VAL 70 1HG2 VAL 70 -0.887 -0.350 6.990 509 HG22 VAL 70 2HG2 VAL 70 -0.445 -1.741 5.999 510 HG23 VAL 70 3HG2 VAL 70 -1.597 -1.930 7.321 511 H ILE 71 H ILE 71 0.420 0.541 5.943 512 HA ILE 71 HA ILE 71 2.212 -0.490 3.963 513 HB ILE 71 HB ILE 71 0.130 1.686 3.736 514 HG12 ILE 71 1HG1 ILE 71 -0.024 -1.213 2.892 515 HG13 ILE 71 2HG1 ILE 71 -0.700 -0.590 4.393 516 HG21 ILE 71 1HG2 ILE 71 1.762 1.895 1.973 517 HG22 ILE 71 2HG2 ILE 71 1.641 0.174 1.612 518 HG23 ILE 71 3HG2 ILE 71 0.267 1.237 1.309 519 HD11 ILE 71 1HD1 ILE 71 -1.503 0.227 1.611 520 HD12 ILE 71 2HD1 ILE 71 -2.415 -0.813 2.705 521 HD13 ILE 71 3HD1 ILE 71 -2.166 0.886 3.107 522 H ARG 72 H ARG 72 4.127 0.300 3.413 523 HA ARG 72 HA ARG 72 4.768 3.075 4.156 524 HB2 ARG 72 1HB ARG 72 6.672 0.786 3.627 525 HB3 ARG 72 2HB ARG 72 7.107 2.396 4.184 526 HG2 ARG 72 1HG ARG 72 5.843 2.003 6.254 527 HG3 ARG 72 2HG ARG 72 5.469 0.371 5.696 528 HD2 ARG 72 1HD ARG 72 8.318 1.215 5.755 529 HD3 ARG 72 2HD ARG 72 7.524 0.874 7.291 530 HE ARG 72 HE ARG 72 6.899 -1.305 5.892 531 HH11 ARG 72 1HH1 ARG 72 9.929 0.368 6.269 532 HH12 ARG 72 2HH1 ARG 72 10.891 -1.060 6.077 533 HH21 ARG 72 1HH2 ARG 72 8.155 -3.192 5.637 534 HH22 ARG 72 2HH2 ARG 72 9.881 -3.085 5.717 535 H CYS 73 H CYS 73 5.583 4.479 2.660 536 HA CYS 73 HA CYS 73 5.715 3.501 -0.117 537 HB2 CYS 73 1HB CYS 73 3.777 4.917 0.141 538 HB3 CYS 73 2HB CYS 73 4.737 6.162 0.931 539 HG CYS 73 HG CYS 73 5.176 5.220 -2.329 540 H ASN 74 H ASN 74 7.795 3.377 -0.664 541 HA ASN 74 HA ASN 74 9.955 3.961 -1.072 542 HB2 ASN 74 1HB ASN 74 8.752 6.698 -0.673 543 HB3 ASN 74 2HB ASN 74 10.450 6.470 -1.079 544 HD21 ASN 74 1HD2 ASN 74 8.718 7.888 -2.694 545 HD22 ASN 74 2HD2 ASN 74 8.488 7.024 -4.172 546 H GLY 75 H GLY 75 9.115 3.248 1.614 547 HA2 GLY 75 1HA GLY 75 10.441 2.904 3.517 548 HA3 GLY 75 2HA GLY 75 11.465 4.242 3.019 549 H GLU 76 H GLU 76 8.604 5.580 2.640 550 HA GLU 76 HA GLU 76 8.435 6.469 5.445 551 HB2 GLU 76 1HB GLU 76 8.037 7.993 2.875 552 HB3 GLU 76 2HB GLU 76 7.479 8.601 4.427 553 HG2 GLU 76 1HG GLU 76 9.520 9.632 4.204 554 HG3 GLU 76 2HG GLU 76 9.922 8.222 5.183 555 H THR 77 H THR 77 6.594 6.062 6.464 556 HA THR 77 HA THR 77 4.470 4.649 5.355 557 HB THR 77 HB THR 77 3.219 5.156 7.388 558 HG1 THR 77 HG1 THR 77 4.200 6.633 8.913 559 HG21 THR 77 1HG2 THR 77 5.588 4.872 8.877 560 HG22 THR 77 2HG2 THR 77 5.886 4.094 7.323 561 HG23 THR 77 3HG2 THR 77 4.513 3.595 8.311 562 H LEU 78 H LEU 78 2.421 5.207 4.651 563 HA LEU 78 HA LEU 78 2.080 7.376 3.032 564 HB2 LEU 78 1HB LEU 78 -0.070 5.967 4.616 565 HB3 LEU 78 2HB LEU 78 -0.353 6.994 3.223 566 HG LEU 78 HG LEU 78 1.223 4.419 3.164 567 HD11 LEU 78 1HD1 LEU 78 -1.288 4.540 1.693 568 HD12 LEU 78 2HD1 LEU 78 -0.648 3.280 2.748 569 HD13 LEU 78 3HD1 LEU 78 -1.493 4.664 3.440 570 HD21 LEU 78 1HD2 LEU 78 0.162 5.395 0.660 571 HD22 LEU 78 2HD2 LEU 78 1.246 6.569 1.404 572 HD23 LEU 78 3HD2 LEU 78 1.810 4.930 1.080 573 H ARG 79 H ARG 79 1.092 7.124 6.436 574 HA ARG 79 HA ARG 79 -0.131 9.587 6.733 575 HB2 ARG 79 1HB ARG 79 -0.197 7.916 8.485 576 HB3 ARG 79 2HB ARG 79 1.542 8.042 8.718 577 HG2 ARG 79 1HG ARG 79 1.203 10.417 9.402 578 HG3 ARG 79 2HG ARG 79 -0.537 10.124 9.341 579 HD2 ARG 79 1HD ARG 79 1.289 8.388 10.970 580 HD3 ARG 79 2HD ARG 79 0.660 9.908 11.606 581 HE ARG 79 HE ARG 79 -0.807 7.458 11.172 582 HH11 ARG 79 1HH1 ARG 79 -0.985 10.901 11.658 583 HH12 ARG 79 2HH1 ARG 79 -2.617 10.866 12.239 584 HH21 ARG 79 1HH2 ARG 79 -2.956 7.399 11.934 585 HH22 ARG 79 2HH2 ARG 79 -3.737 8.874 12.396 586 H HIS 80 H HIS 80 3.305 8.770 6.942 587 HA HIS 80 HA HIS 80 4.237 11.280 7.784 588 HB2 HIS 80 1HB HIS 80 5.570 9.166 7.783 589 HB3 HIS 80 2HB HIS 80 5.701 9.297 6.032 590 HD1 HIS 80 HD1 HIS 80 7.310 10.342 9.121 591 HD2 HIS 80 HD2 HIS 80 7.165 11.692 5.194 592 HE1 HIS 80 HE1 HIS 80 9.262 11.908 8.876 593 HE2 HIS 80 HE2 HIS 80 9.104 12.778 6.517 594 H LEU 81 H LEU 81 3.808 9.931 4.530 595 HA LEU 81 HA LEU 81 4.863 12.072 3.079 596 HB2 LEU 81 1HB LEU 81 2.579 10.281 2.250 597 HB3 LEU 81 2HB LEU 81 3.621 11.204 1.183 598 HG LEU 81 HG LEU 81 4.560 8.938 2.943 599 HD11 LEU 81 1HD1 LEU 81 3.509 7.667 1.423 600 HD12 LEU 81 2HD1 LEU 81 3.358 8.993 0.269 601 HD13 LEU 81 3HD1 LEU 81 4.870 8.093 0.386 602 HD21 LEU 81 1HD2 LEU 81 5.948 10.998 1.555 603 HD22 LEU 81 2HD2 LEU 81 6.608 9.642 2.468 604 HD23 LEU 81 3HD2 LEU 81 6.267 9.462 0.748 605 H GLU 82 H GLU 82 1.563 11.481 4.226 606 HA GLU 82 HA GLU 82 0.306 13.648 3.000 607 HB2 GLU 82 1HB GLU 82 -0.935 11.857 4.102 608 HB3 GLU 82 2HB GLU 82 -0.305 12.358 5.664 609 HG2 GLU 82 1HG GLU 82 -1.923 14.208 3.950 610 HG3 GLU 82 2HG GLU 82 -2.675 13.061 5.058 611 H GLN 83 H GLN 83 1.955 13.442 6.130 612 HA GLN 83 HA GLN 83 1.374 15.988 7.087 613 HB2 GLN 83 1HB GLN 83 3.721 14.156 7.512 614 HB3 GLN 83 2HB GLN 83 3.626 15.723 8.304 615 HG2 GLN 83 1HG GLN 83 1.261 14.848 9.034 616 HG3 GLN 83 2HG GLN 83 1.999 13.275 8.737 617 HE21 GLN 83 1HE2 GLN 83 2.371 12.477 10.694 618 HE22 GLN 83 2HE2 GLN 83 3.252 13.272 11.950 619 H LYS 84 H LYS 84 3.857 14.914 4.839 620 HA LYS 84 HA LYS 84 5.073 17.537 4.695 621 HB2 LYS 84 1HB LYS 84 5.567 14.950 3.224 622 HB3 LYS 84 2HB LYS 84 6.428 16.437 2.847 623 HG2 LYS 84 1HG LYS 84 7.594 16.427 4.834 624 HG3 LYS 84 2HG LYS 84 6.397 15.421 5.652 625 HD2 LYS 84 1HD LYS 84 8.177 13.961 5.316 626 HD3 LYS 84 2HD LYS 84 7.102 13.601 3.963 627 HE2 LYS 84 1HE LYS 84 8.444 14.893 2.465 628 HE3 LYS 84 2HE LYS 84 9.418 15.521 3.794 629 HZ1 LYS 84 1HZ LYS 84 9.539 12.744 3.914 630 HZ2 LYS 84 2HZ LYS 84 10.782 13.819 3.517 631 HZ3 LYS 84 3HZ LYS 84 9.804 13.172 2.299 632 H GLY 85 H GLY 85 2.212 16.663 3.723 633 HA2 GLY 85 1HA GLY 85 0.757 17.412 2.114 634 HA3 GLY 85 2HA GLY 85 1.960 18.634 1.731 635 H LEU 86 H LEU 86 2.543 15.181 1.518 636 HA LEU 86 HA LEU 86 2.946 15.503 -1.371 637 HB2 LEU 86 1HB LEU 86 3.852 13.202 0.350 638 HB3 LEU 86 2HB LEU 86 4.382 13.594 -1.275 639 HG LEU 86 HG LEU 86 4.904 15.383 1.094 640 HD11 LEU 86 1HD1 LEU 86 7.152 13.869 0.001 641 HD12 LEU 86 2HD1 LEU 86 6.721 14.220 1.674 642 HD13 LEU 86 3HD1 LEU 86 5.950 12.879 0.828 643 HD21 LEU 86 1HD2 LEU 86 6.698 16.231 -0.429 644 HD22 LEU 86 2HD2 LEU 86 5.986 15.256 -1.714 645 HD23 LEU 86 3HD2 LEU 86 5.054 16.558 -0.976 646 H LEU 87 H LEU 87 1.256 13.574 1.031 647 HA LEU 87 HA LEU 87 -0.134 12.134 -1.124 648 HB2 LEU 87 1HB LEU 87 1.052 10.831 0.678 649 HB3 LEU 87 2HB LEU 87 -0.118 11.468 1.818 650 HG LEU 87 HG LEU 87 -1.898 10.430 0.265 651 HD11 LEU 87 1HD1 LEU 87 -1.269 9.213 -1.483 652 HD12 LEU 87 2HD1 LEU 87 0.361 9.841 -1.246 653 HD13 LEU 87 3HD1 LEU 87 -0.108 8.308 -0.514 654 HD21 LEU 87 1HD2 LEU 87 -0.675 9.572 2.536 655 HD22 LEU 87 2HD2 LEU 87 -2.043 8.770 1.766 656 HD23 LEU 87 3HD2 LEU 87 -0.401 8.208 1.453 657 H PHE 88 H PHE 88 -2.246 12.450 -1.480 658 HA PHE 88 HA PHE 88 -3.592 14.580 -0.118 659 HB2 PHE 88 1HB PHE 88 -5.205 14.441 -1.784 660 HB3 PHE 88 2HB PHE 88 -3.778 13.825 -2.612 661 HD1 PHE 88 HD1 PHE 88 -3.497 11.126 -2.003 662 HD2 PHE 88 HD2 PHE 88 -7.116 13.337 -2.368 663 HE1 PHE 88 HE1 PHE 88 -4.706 9.052 -2.544 664 HE2 PHE 88 HE2 PHE 88 -8.331 11.266 -2.909 665 HZ PHE 88 HZ PHE 88 -7.125 9.120 -2.997 666 H SER 89 H SER 89 -3.767 11.072 -0.107 667 HA SER 89 HA SER 89 -4.941 9.586 1.160 668 HB2 SER 89 1HB SER 89 -4.359 11.850 3.030 669 HB3 SER 89 2HB SER 89 -5.385 10.527 3.582 670 HG SER 89 HG SER 89 -3.618 9.454 3.890 671 H GLY 90 H GLY 90 -6.565 10.888 -0.609 672 HA2 GLY 90 1HA GLY 90 -8.850 10.951 -0.996 673 HA3 GLY 90 2HA GLY 90 -9.115 10.670 0.718 674 HA PRO 91 HA PRO 91 -9.645 15.249 -0.631 675 HB2 PRO 91 1HB PRO 91 -12.311 15.303 -1.145 676 HB3 PRO 91 2HB PRO 91 -11.098 14.997 -2.394 677 HG2 PRO 91 1HG PRO 91 -12.796 13.047 -0.885 678 HG3 PRO 91 2HG PRO 91 -12.397 13.081 -2.613 679 HD2 PRO 91 1HD PRO 91 -11.144 11.441 -0.859 680 HD3 PRO 91 2HD PRO 91 -10.327 12.122 -2.281 681 H SER 92 H SER 92 -11.403 16.767 0.379 682 HA SER 92 HA SER 92 -11.760 15.883 3.156 683 HB2 SER 92 1HB SER 92 -11.761 18.202 3.780 684 HB3 SER 92 2HB SER 92 -10.409 17.957 2.674 685 HG SER 92 HG SER 92 -12.955 18.869 1.829 686 H SER 93 H SER 93 -13.458 17.312 0.421 687 HA SER 93 HA SER 93 -15.926 17.709 1.774 688 HB2 SER 93 1HB SER 93 -16.860 18.132 -0.421 689 HB3 SER 93 2HB SER 93 -15.268 18.885 -0.330 690 HG SER 93 HG SER 93 -14.581 16.731 -1.289 691 H GLY 94 H GLY 94 -17.945 16.566 1.284 692 HA2 GLY 94 1HA GLY 94 -19.192 14.639 1.356 693 HA3 GLY 94 2HA GLY 94 -18.161 14.101 0.038 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 16.920 19.401 -35.653 2 HA2 GLY 1 1HA GLY 1 19.372 19.806 -34.172 3 HA3 GLY 1 2HA GLY 1 18.363 21.054 -34.887 4 H SER 2 H SER 2 19.061 21.996 -32.707 5 HA SER 2 HA SER 2 18.094 21.104 -30.271 6 HB2 SER 2 1HB SER 2 18.425 23.327 -29.453 7 HB3 SER 2 2HB SER 2 19.662 23.051 -30.680 8 HG SER 2 HG SER 2 17.593 24.024 -31.952 9 H SER 3 H SER 3 16.123 20.821 -29.482 10 HA SER 3 HA SER 3 13.866 22.127 -30.842 11 HB2 SER 3 1HB SER 3 14.135 19.530 -29.355 12 HB3 SER 3 2HB SER 3 12.554 20.288 -29.543 13 HG SER 3 HG SER 3 13.182 18.749 -31.221 14 H GLY 4 H GLY 4 12.297 23.222 -29.687 15 HA2 GLY 4 1HA GLY 4 13.148 24.116 -27.032 16 HA3 GLY 4 2HA GLY 4 11.956 24.901 -28.057 17 H SER 5 H SER 5 12.331 23.203 -25.279 18 HA SER 5 HA SER 5 9.490 22.629 -25.134 19 HB2 SER 5 1HB SER 5 11.613 20.504 -24.998 20 HB3 SER 5 2HB SER 5 10.094 20.313 -24.122 21 HG SER 5 HG SER 5 9.832 21.098 -26.753 22 H SER 6 H SER 6 8.848 21.980 -22.896 23 HA SER 6 HA SER 6 10.690 22.500 -20.754 24 HB2 SER 6 1HB SER 6 9.866 24.789 -21.713 25 HB3 SER 6 2HB SER 6 8.371 24.403 -20.862 26 HG SER 6 HG SER 6 10.893 25.020 -19.853 27 H GLY 7 H GLY 7 9.571 22.396 -18.603 28 HA2 GLY 7 1HA GLY 7 6.931 21.556 -18.268 29 HA3 GLY 7 2HA GLY 7 7.907 20.114 -18.504 30 H ASN 8 H ASN 8 6.523 20.493 -16.161 31 HA ASN 8 HA ASN 8 8.712 20.974 -14.252 32 HB2 ASN 8 1HB ASN 8 6.938 22.775 -14.241 33 HB3 ASN 8 2HB ASN 8 5.800 21.550 -13.688 34 HD21 ASN 8 1HD2 ASN 8 7.413 24.035 -12.598 35 HD22 ASN 8 2HD2 ASN 8 7.822 23.515 -11.003 36 H ASP 9 H ASP 9 9.095 19.379 -12.837 37 HA ASP 9 HA ASP 9 7.553 16.943 -13.056 38 HB2 ASP 9 1HB ASP 9 10.093 17.693 -11.626 39 HB3 ASP 9 2HB ASP 9 9.303 16.145 -11.340 40 H ALA 10 H ALA 10 5.971 16.335 -11.739 41 HA ALA 10 HA ALA 10 5.886 17.377 -9.003 42 HB1 ALA 10 1HB ALA 10 4.348 18.543 -10.904 43 HB2 ALA 10 2HB ALA 10 3.261 17.285 -10.315 44 HB3 ALA 10 3HB ALA 10 3.931 18.468 -9.192 45 H VAL 11 H VAL 11 5.925 15.615 -7.775 46 HA VAL 11 HA VAL 11 5.351 13.020 -8.536 47 HB VAL 11 HB VAL 11 5.122 14.206 -5.767 48 HG11 VAL 11 1HG1 VAL 11 5.808 11.687 -5.289 49 HG12 VAL 11 2HG1 VAL 11 4.121 12.187 -5.430 50 HG13 VAL 11 3HG1 VAL 11 4.936 11.430 -6.800 51 HG21 VAL 11 1HG2 VAL 11 7.439 12.701 -6.961 52 HG22 VAL 11 2HG2 VAL 11 7.322 14.461 -6.979 53 HG23 VAL 11 3HG2 VAL 11 7.391 13.598 -5.443 54 H ASP 12 H ASP 12 3.222 15.380 -6.961 55 HA ASP 12 HA ASP 12 1.009 13.784 -6.506 56 HB2 ASP 12 1HB ASP 12 -0.275 15.784 -6.374 57 HB3 ASP 12 2HB ASP 12 1.343 16.199 -5.815 58 H PHE 13 H PHE 13 1.973 15.458 -9.466 59 HA PHE 13 HA PHE 13 -0.167 15.275 -11.084 60 HB2 PHE 13 1HB PHE 13 2.236 15.974 -11.663 61 HB3 PHE 13 2HB PHE 13 2.504 14.279 -12.057 62 HD1 PHE 13 HD1 PHE 13 0.098 17.031 -12.797 63 HD2 PHE 13 HD2 PHE 13 2.181 13.606 -14.228 64 HE1 PHE 13 HE1 PHE 13 -0.822 17.416 -15.047 65 HE2 PHE 13 HE2 PHE 13 1.265 13.985 -16.480 66 HZ PHE 13 HZ PHE 13 -0.237 15.893 -16.892 67 H SER 14 H SER 14 2.089 12.580 -10.512 68 HA SER 14 HA SER 14 0.577 10.702 -12.015 69 HB2 SER 14 1HB SER 14 2.989 10.419 -11.582 70 HB3 SER 14 2HB SER 14 2.651 10.208 -9.863 71 HG SER 14 HG SER 14 1.837 8.258 -10.241 72 HA PRO 15 HA PRO 15 -2.582 10.165 -8.889 73 HB2 PRO 15 1HB PRO 15 -4.105 8.475 -10.369 74 HB3 PRO 15 2HB PRO 15 -4.099 10.226 -10.613 75 HG2 PRO 15 1HG PRO 15 -2.649 8.096 -12.137 76 HG3 PRO 15 2HG PRO 15 -3.515 9.517 -12.750 77 HD2 PRO 15 1HD PRO 15 -0.818 9.443 -12.517 78 HD3 PRO 15 2HD PRO 15 -1.754 10.937 -12.308 79 H THR 16 H THR 16 -0.221 8.081 -9.934 80 HA THR 16 HA THR 16 -1.176 5.931 -8.157 81 HB THR 16 HB THR 16 0.163 4.344 -9.480 82 HG1 THR 16 HG1 THR 16 0.730 5.341 -11.682 83 HG21 THR 16 1HG2 THR 16 -1.535 5.740 -11.497 84 HG22 THR 16 2HG2 THR 16 -2.293 5.116 -10.031 85 HG23 THR 16 3HG2 THR 16 -1.427 4.023 -11.111 86 H LEU 17 H LEU 17 0.179 5.204 -6.591 87 HA LEU 17 HA LEU 17 2.921 6.260 -6.540 88 HB2 LEU 17 1HB LEU 17 1.132 6.121 -4.117 89 HB3 LEU 17 2HB LEU 17 2.745 6.802 -4.206 90 HG LEU 17 HG LEU 17 0.347 7.921 -5.657 91 HD11 LEU 17 1HD1 LEU 17 -0.265 8.645 -3.632 92 HD12 LEU 17 2HD1 LEU 17 1.296 8.249 -2.914 93 HD13 LEU 17 3HD1 LEU 17 1.087 9.766 -3.787 94 HD21 LEU 17 1HD2 LEU 17 3.089 9.084 -5.182 95 HD22 LEU 17 2HD2 LEU 17 2.529 8.387 -6.702 96 HD23 LEU 17 3HD2 LEU 17 1.762 9.841 -6.063 97 HA PRO 18 HA PRO 18 3.946 2.039 -5.757 98 HB2 PRO 18 1HB PRO 18 6.502 2.423 -4.926 99 HB3 PRO 18 2HB PRO 18 6.013 2.550 -6.620 100 HG2 PRO 18 1HG PRO 18 6.460 4.723 -4.611 101 HG3 PRO 18 2HG PRO 18 6.955 4.653 -6.312 102 HD2 PRO 18 1HD PRO 18 4.784 6.041 -5.482 103 HD3 PRO 18 2HD PRO 18 4.867 5.262 -7.075 104 H VAL 19 H VAL 19 3.010 1.094 -4.044 105 HA VAL 19 HA VAL 19 3.903 1.906 -1.353 106 HB VAL 19 HB VAL 19 1.735 1.103 -0.496 107 HG11 VAL 19 1HG1 VAL 19 2.008 3.464 -0.962 108 HG12 VAL 19 2HG1 VAL 19 1.545 3.211 -2.646 109 HG13 VAL 19 3HG1 VAL 19 0.365 2.961 -1.358 110 HG21 VAL 19 1HG2 VAL 19 1.028 0.792 -3.412 111 HG22 VAL 19 2HG2 VAL 19 1.207 -0.511 -2.238 112 HG23 VAL 19 3HG2 VAL 19 -0.102 0.658 -2.064 113 H THR 20 H THR 20 4.149 0.252 0.218 114 HA THR 20 HA THR 20 4.104 -2.512 -0.720 115 HB THR 20 HB THR 20 6.417 -2.853 0.300 116 HG1 THR 20 HG1 THR 20 6.133 -0.284 0.836 117 HG21 THR 20 1HG2 THR 20 7.509 -1.714 -1.813 118 HG22 THR 20 2HG2 THR 20 5.824 -1.480 -2.280 119 HG23 THR 20 3HG2 THR 20 6.440 -3.106 -1.984 120 H CYS 21 H CYS 21 3.348 -3.834 0.804 121 HA CYS 21 HA CYS 21 3.467 -2.939 3.609 122 HB2 CYS 21 1HB CYS 21 1.178 -2.809 2.588 123 HB3 CYS 21 2HB CYS 21 1.238 -4.553 2.359 124 HG CYS 21 HG CYS 21 1.951 -3.963 5.483 125 H GLY 22 H GLY 22 5.077 -4.158 4.431 126 HA2 GLY 22 1HA GLY 22 6.245 -6.014 5.109 127 HA3 GLY 22 2HA GLY 22 4.687 -6.826 5.095 128 H LYS 23 H LYS 23 4.462 -8.484 3.750 129 HA LYS 23 HA LYS 23 6.546 -8.949 1.757 130 HB2 LYS 23 1HB LYS 23 4.332 -10.862 2.455 131 HB3 LYS 23 2HB LYS 23 5.918 -11.220 1.784 132 HG2 LYS 23 1HG LYS 23 6.715 -10.168 4.081 133 HG3 LYS 23 2HG LYS 23 5.112 -10.706 4.589 134 HD2 LYS 23 1HD LYS 23 5.781 -12.945 3.467 135 HD3 LYS 23 2HD LYS 23 7.429 -12.327 3.600 136 HE2 LYS 23 1HE LYS 23 6.942 -13.689 5.524 137 HE3 LYS 23 2HE LYS 23 7.063 -12.004 6.028 138 HZ1 LYS 23 1HZ LYS 23 4.715 -11.843 6.177 139 HZ2 LYS 23 2HZ LYS 23 5.159 -13.253 6.999 140 HZ3 LYS 23 3HZ LYS 23 4.486 -13.354 5.450 141 H ALA 24 H ALA 24 4.053 -7.116 1.594 142 HA ALA 24 HA ALA 24 3.100 -8.142 -1.001 143 HB1 ALA 24 1HB ALA 24 0.972 -7.730 -0.456 144 HB2 ALA 24 2HB ALA 24 1.552 -7.676 1.209 145 HB3 ALA 24 3HB ALA 24 1.367 -6.181 0.291 146 H LYS 25 H LYS 25 2.976 -6.727 -2.717 147 HA LYS 25 HA LYS 25 3.779 -3.947 -2.288 148 HB2 LYS 25 1HB LYS 25 5.092 -5.671 -4.390 149 HB3 LYS 25 2HB LYS 25 5.495 -4.013 -3.965 150 HG2 LYS 25 1HG LYS 25 7.153 -5.076 -2.848 151 HG3 LYS 25 2HG LYS 25 5.912 -5.122 -1.592 152 HD2 LYS 25 1HD LYS 25 5.376 -7.373 -2.070 153 HD3 LYS 25 2HD LYS 25 6.272 -7.343 -3.590 154 HE2 LYS 25 1HE LYS 25 8.330 -7.439 -2.523 155 HE3 LYS 25 2HE LYS 25 7.679 -6.840 -0.998 156 HZ1 LYS 25 1HZ LYS 25 8.260 -9.299 -1.156 157 HZ2 LYS 25 2HZ LYS 25 6.861 -9.459 -2.093 158 HZ3 LYS 25 3HZ LYS 25 6.752 -8.900 -0.500 159 H GLY 26 H GLY 26 2.704 -2.542 -3.554 160 HA2 GLY 26 1HA GLY 26 1.588 -3.378 -6.098 161 HA3 GLY 26 2HA GLY 26 0.401 -3.030 -4.850 162 H THR 27 H THR 27 -0.433 -1.307 -6.087 163 HA THR 27 HA THR 27 1.103 1.159 -5.781 164 HB THR 27 HB THR 27 -0.141 0.313 -8.405 165 HG1 THR 27 HG1 THR 27 2.290 -0.057 -7.414 166 HG21 THR 27 1HG2 THR 27 1.436 2.674 -8.614 167 HG22 THR 27 2HG2 THR 27 0.257 2.910 -7.324 168 HG23 THR 27 3HG2 THR 27 -0.284 2.469 -8.943 169 H LEU 28 H LEU 28 -0.120 2.734 -4.970 170 HA LEU 28 HA LEU 28 -2.988 2.313 -4.747 171 HB2 LEU 28 1HB LEU 28 -1.937 2.975 -2.729 172 HB3 LEU 28 2HB LEU 28 -1.074 4.282 -3.518 173 HG LEU 28 HG LEU 28 -3.575 5.116 -3.979 174 HD11 LEU 28 1HD1 LEU 28 -5.166 4.318 -2.627 175 HD12 LEU 28 2HD1 LEU 28 -4.091 2.935 -2.419 176 HD13 LEU 28 3HD1 LEU 28 -4.081 4.245 -1.239 177 HD21 LEU 28 1HD2 LEU 28 -3.026 5.934 -1.331 178 HD22 LEU 28 2HD2 LEU 28 -1.478 5.724 -2.149 179 HD23 LEU 28 3HD2 LEU 28 -2.698 6.799 -2.832 180 H PHE 29 H PHE 29 -4.500 3.372 -5.872 181 HA PHE 29 HA PHE 29 -3.601 5.487 -7.708 182 HB2 PHE 29 1HB PHE 29 -5.914 3.553 -7.895 183 HB3 PHE 29 2HB PHE 29 -5.687 4.905 -8.998 184 HD1 PHE 29 HD2 PHE 29 -3.567 2.175 -7.582 185 HD2 PHE 29 HD1 PHE 29 -4.814 4.335 -11.030 186 HE1 PHE 29 HE2 PHE 29 -2.101 0.780 -8.981 187 HE2 PHE 29 HE1 PHE 29 -3.351 2.943 -12.436 188 HZ PHE 29 HZ PHE 29 -1.991 1.163 -11.411 189 H GLN 30 H GLN 30 -3.927 7.376 -6.673 190 HA GLN 30 HA GLN 30 -5.694 8.063 -4.735 191 HB2 GLN 30 1HB GLN 30 -5.225 9.991 -6.982 192 HB3 GLN 30 2HB GLN 30 -5.302 10.304 -5.253 193 HG2 GLN 30 1HG GLN 30 -3.159 8.838 -5.164 194 HG3 GLN 30 2HG GLN 30 -3.052 9.219 -6.882 195 HE21 GLN 30 1HE2 GLN 30 -2.384 10.255 -3.755 196 HE22 GLN 30 2HE2 GLN 30 -1.908 11.875 -4.120 197 H GLU 31 H GLU 31 -6.341 8.025 -8.216 198 HA GLU 31 HA GLU 31 -8.900 9.129 -8.179 199 HB2 GLU 31 1HB GLU 31 -8.002 8.906 -10.307 200 HB3 GLU 31 2HB GLU 31 -7.472 7.254 -10.022 201 HG2 GLU 31 1HG GLU 31 -9.507 6.362 -10.525 202 HG3 GLU 31 2HG GLU 31 -10.388 7.804 -10.025 203 H LYS 32 H LYS 32 -7.834 5.807 -7.664 204 HA LYS 32 HA LYS 32 -10.554 4.850 -7.370 205 HB2 LYS 32 1HB LYS 32 -7.843 3.602 -7.389 206 HB3 LYS 32 2HB LYS 32 -9.156 2.732 -6.607 207 HG2 LYS 32 1HG LYS 32 -10.245 2.329 -8.564 208 HG3 LYS 32 2HG LYS 32 -9.635 3.795 -9.335 209 HD2 LYS 32 1HD LYS 32 -7.373 2.709 -9.391 210 HD3 LYS 32 2HD LYS 32 -8.147 1.219 -8.846 211 HE2 LYS 32 1HE LYS 32 -8.040 1.003 -11.173 212 HE3 LYS 32 2HE LYS 32 -9.700 1.503 -10.855 213 HZ1 LYS 32 1HZ LYS 32 -7.981 2.694 -12.593 214 HZ2 LYS 32 2HZ LYS 32 -7.933 3.722 -11.251 215 HZ3 LYS 32 3HZ LYS 32 -9.411 3.375 -11.997 216 H LEU 33 H LEU 33 -8.216 6.291 -5.406 217 HA LEU 33 HA LEU 33 -9.117 5.022 -2.949 218 HB2 LEU 33 1HB LEU 33 -6.710 5.663 -3.417 219 HB3 LEU 33 2HB LEU 33 -7.206 7.334 -3.231 220 HG LEU 33 HG LEU 33 -7.947 6.812 -0.912 221 HD11 LEU 33 1HD1 LEU 33 -8.399 4.546 -0.832 222 HD12 LEU 33 2HD1 LEU 33 -6.917 4.116 -1.685 223 HD13 LEU 33 3HD1 LEU 33 -6.844 4.651 -0.007 224 HD21 LEU 33 1HD2 LEU 33 -5.670 6.628 0.022 225 HD22 LEU 33 2HD2 LEU 33 -5.067 6.228 -1.586 226 HD23 LEU 33 3HD2 LEU 33 -5.779 7.812 -1.281 227 H LYS 34 H LYS 34 -9.539 7.988 -4.732 228 HA LYS 34 HA LYS 34 -10.538 9.683 -2.785 229 HB2 LYS 34 1HB LYS 34 -11.153 9.394 -5.715 230 HB3 LYS 34 2HB LYS 34 -11.952 10.616 -4.735 231 HG2 LYS 34 1HG LYS 34 -9.825 11.624 -4.190 232 HG3 LYS 34 2HG LYS 34 -8.970 10.353 -5.068 233 HD2 LYS 34 1HD LYS 34 -9.011 11.961 -6.687 234 HD3 LYS 34 2HD LYS 34 -10.548 11.166 -7.037 235 HE2 LYS 34 1HE LYS 34 -11.741 12.846 -5.768 236 HE3 LYS 34 2HE LYS 34 -10.223 13.603 -5.288 237 HZ1 LYS 34 1HZ LYS 34 -9.824 14.321 -7.472 238 HZ2 LYS 34 2HZ LYS 34 -11.453 14.673 -7.188 239 HZ3 LYS 34 3HZ LYS 34 -11.029 13.329 -8.124 240 H GLN 35 H GLN 35 -12.269 7.255 -4.708 241 HA GLN 35 HA GLN 35 -14.850 7.767 -3.812 242 HB2 GLN 35 1HB GLN 35 -13.647 5.086 -4.523 243 HB3 GLN 35 2HB GLN 35 -15.365 5.457 -4.457 244 HG2 GLN 35 1HG GLN 35 -14.637 7.332 -6.185 245 HG3 GLN 35 2HG GLN 35 -13.341 6.177 -6.494 246 HE21 GLN 35 1HE2 GLN 35 -14.759 3.812 -6.048 247 HE22 GLN 35 2HE2 GLN 35 -15.921 3.623 -7.311 248 H GLY 36 H GLY 36 -12.457 5.481 -2.492 249 HA2 GLY 36 1HA GLY 36 -13.053 5.951 0.188 250 HA3 GLY 36 2HA GLY 36 -14.077 4.622 -0.334 251 H ALA 37 H ALA 37 -12.036 4.490 1.659 252 HA ALA 37 HA ALA 37 -9.748 3.181 0.488 253 HB1 ALA 37 1HB ALA 37 -10.608 3.898 3.245 254 HB2 ALA 37 2HB ALA 37 -9.391 2.637 3.040 255 HB3 ALA 37 3HB ALA 37 -9.101 4.255 2.401 256 H SER 38 H SER 38 -12.652 2.133 0.354 257 HA SER 38 HA SER 38 -12.148 -0.552 1.446 258 HB2 SER 38 1HB SER 38 -14.597 -0.892 1.233 259 HB3 SER 38 2HB SER 38 -14.198 0.467 2.282 260 HG SER 38 HG SER 38 -15.061 0.574 -0.418 261 H LYS 39 H LYS 39 -12.662 1.263 -1.453 262 HA LYS 39 HA LYS 39 -13.234 -1.018 -3.113 263 HB2 LYS 39 1HB LYS 39 -12.483 1.823 -3.827 264 HB3 LYS 39 2HB LYS 39 -12.993 0.599 -4.983 265 HG2 LYS 39 1HG LYS 39 -14.970 1.670 -4.660 266 HG3 LYS 39 2HG LYS 39 -15.085 0.458 -3.382 267 HD2 LYS 39 1HD LYS 39 -14.434 2.030 -1.721 268 HD3 LYS 39 2HD LYS 39 -13.970 3.221 -2.938 269 HE2 LYS 39 1HE LYS 39 -16.091 3.846 -1.981 270 HE3 LYS 39 2HE LYS 39 -16.333 3.349 -3.655 271 HZ1 LYS 39 1HZ LYS 39 -17.377 1.417 -3.024 272 HZ2 LYS 39 2HZ LYS 39 -17.912 2.480 -1.822 273 HZ3 LYS 39 3HZ LYS 39 -16.666 1.386 -1.489 274 H LYS 40 H LYS 40 -11.872 -1.980 -4.626 275 HA LYS 40 HA LYS 40 -9.196 -2.340 -3.859 276 HB2 LYS 40 1HB LYS 40 -10.328 -2.897 -6.601 277 HB3 LYS 40 2HB LYS 40 -8.962 -3.689 -5.827 278 HG2 LYS 40 1HG LYS 40 -11.587 -3.837 -4.459 279 HG3 LYS 40 2HG LYS 40 -11.367 -4.789 -5.929 280 HD2 LYS 40 1HD LYS 40 -9.241 -5.674 -4.884 281 HD3 LYS 40 2HD LYS 40 -9.769 -4.917 -3.380 282 HE2 LYS 40 1HE LYS 40 -10.558 -7.083 -3.157 283 HE3 LYS 40 2HE LYS 40 -11.967 -6.226 -3.780 284 HZ1 LYS 40 1HZ LYS 40 -10.243 -8.183 -5.114 285 HZ2 LYS 40 2HZ LYS 40 -10.961 -6.978 -6.058 286 HZ3 LYS 40 3HZ LYS 40 -11.928 -8.029 -5.151 287 H CYS 41 H CYS 41 -7.810 -0.672 -3.855 288 HA CYS 41 HA CYS 41 -7.565 0.906 -6.332 289 HB2 CYS 41 1HB CYS 41 -6.708 2.751 -4.945 290 HB3 CYS 41 2HB CYS 41 -8.337 2.286 -4.471 291 HG CYS 41 HG CYS 41 -7.778 2.019 -1.990 292 H ILE 42 H ILE 42 -5.956 -0.996 -3.924 293 HA ILE 42 HA ILE 42 -3.301 -0.315 -4.869 294 HB ILE 42 HB ILE 42 -4.242 -2.324 -2.822 295 HG12 ILE 42 1HG1 ILE 42 -2.607 0.170 -2.380 296 HG13 ILE 42 2HG1 ILE 42 -4.367 0.197 -2.365 297 HG21 ILE 42 1HG2 ILE 42 -1.499 -1.702 -3.860 298 HG22 ILE 42 2HG2 ILE 42 -1.744 -2.333 -2.232 299 HG23 ILE 42 3HG2 ILE 42 -2.269 -3.272 -3.629 300 HD11 ILE 42 1HD1 ILE 42 -3.947 -1.802 -0.642 301 HD12 ILE 42 2HD1 ILE 42 -2.469 -0.874 -0.385 302 HD13 ILE 42 3HD1 ILE 42 -4.042 -0.108 -0.161 303 H GLN 43 H GLN 43 -2.697 -1.115 -6.775 304 HA GLN 43 HA GLN 43 -3.619 -3.754 -7.610 305 HB2 GLN 43 1HB GLN 43 -3.536 -1.581 -9.071 306 HB3 GLN 43 2HB GLN 43 -1.842 -2.007 -9.271 307 HG2 GLN 43 1HG GLN 43 -2.536 -4.215 -10.128 308 HG3 GLN 43 2HG GLN 43 -4.217 -3.699 -10.011 309 HE21 GLN 43 1HE2 GLN 43 -4.754 -3.696 -12.121 310 HE22 GLN 43 2HE2 GLN 43 -4.016 -2.688 -13.315 311 H ASN 44 H ASN 44 -2.419 -5.509 -7.344 312 HA ASN 44 HA ASN 44 0.243 -5.344 -6.307 313 HB2 ASN 44 1HB ASN 44 0.169 -7.774 -6.251 314 HB3 ASN 44 2HB ASN 44 -1.347 -7.123 -5.636 315 HD21 ASN 44 1HD2 ASN 44 -1.637 -9.569 -6.245 316 HD22 ASN 44 2HD2 ASN 44 -2.367 -9.829 -7.790 317 H GLU 45 H GLU 45 1.913 -6.955 -7.328 318 HA GLU 45 HA GLU 45 2.760 -5.853 -9.757 319 HB2 GLU 45 1HB GLU 45 3.569 -8.529 -8.610 320 HB3 GLU 45 2HB GLU 45 4.479 -7.561 -9.761 321 HG2 GLU 45 1HG GLU 45 4.305 -5.767 -7.821 322 HG3 GLU 45 2HG GLU 45 4.144 -7.222 -6.839 323 H ALA 46 H ALA 46 0.618 -8.477 -9.071 324 HA ALA 46 HA ALA 46 0.796 -9.679 -11.682 325 HB1 ALA 46 1HB ALA 46 0.221 -11.200 -10.013 326 HB2 ALA 46 2HB ALA 46 -0.968 -10.111 -9.297 327 HB3 ALA 46 3HB ALA 46 -1.306 -10.893 -10.842 328 H GLY 47 H GLY 47 -0.734 -6.950 -10.413 329 HA2 GLY 47 1HA GLY 47 -1.865 -5.395 -11.811 330 HA3 GLY 47 2HA GLY 47 -2.364 -6.728 -12.842 331 H ASP 48 H ASP 48 -3.070 -8.212 -10.253 332 HA ASP 48 HA ASP 48 -5.832 -7.586 -10.283 333 HB2 ASP 48 1HB ASP 48 -4.155 -9.290 -8.438 334 HB3 ASP 48 2HB ASP 48 -5.903 -9.139 -8.275 335 H TRP 49 H TRP 49 -6.861 -5.992 -9.294 336 HA TRP 49 HA TRP 49 -5.556 -4.225 -7.493 337 HB2 TRP 49 1HB TRP 49 -8.492 -4.478 -8.182 338 HB3 TRP 49 2HB TRP 49 -7.764 -3.130 -7.312 339 HD1 TRP 49 HD1 TRP 49 -7.858 -4.714 -10.815 340 HE1 TRP 49 HE1 TRP 49 -7.130 -2.936 -12.528 341 HE3 TRP 49 HE3 TRP 49 -6.473 -0.998 -7.589 342 HZ2 TRP 49 HZ2 TRP 49 -6.105 -0.306 -12.513 343 HZ3 TRP 49 HZ3 TRP 49 -5.629 1.118 -8.519 344 HH2 TRP 49 HH2 TRP 49 -5.449 1.454 -10.931 345 H LEU 50 H LEU 50 -6.002 -3.822 -5.297 346 HA LEU 50 HA LEU 50 -7.539 -5.848 -3.852 347 HB2 LEU 50 1HB LEU 50 -4.705 -5.098 -3.131 348 HB3 LEU 50 2HB LEU 50 -5.742 -6.191 -2.234 349 HG LEU 50 HG LEU 50 -5.172 -6.833 -5.087 350 HD11 LEU 50 1HD1 LEU 50 -3.220 -7.302 -2.837 351 HD12 LEU 50 2HD1 LEU 50 -3.104 -7.974 -4.463 352 HD13 LEU 50 3HD1 LEU 50 -2.980 -6.233 -4.219 353 HD21 LEU 50 1HD2 LEU 50 -6.406 -8.082 -2.881 354 HD22 LEU 50 2HD2 LEU 50 -6.134 -8.741 -4.493 355 HD23 LEU 50 3HD2 LEU 50 -4.932 -8.986 -3.227 356 H THR 51 H THR 51 -8.429 -5.146 -1.933 357 HA THR 51 HA THR 51 -8.762 -2.325 -1.655 358 HB THR 51 HB THR 51 -10.197 -2.843 0.245 359 HG1 THR 51 HG1 THR 51 -8.878 -5.315 0.070 360 HG21 THR 51 1HG2 THR 51 -10.815 -3.356 -2.259 361 HG22 THR 51 2HG2 THR 51 -11.899 -3.832 -0.951 362 HG23 THR 51 3HG2 THR 51 -10.831 -5.025 -1.690 363 H VAL 52 H VAL 52 -8.052 -0.957 -0.041 364 HA VAL 52 HA VAL 52 -5.545 -0.955 0.864 365 HB VAL 52 HB VAL 52 -7.847 -0.083 2.614 366 HG11 VAL 52 1HG1 VAL 52 -6.373 1.051 3.894 367 HG12 VAL 52 2HG1 VAL 52 -5.242 -0.165 3.297 368 HG13 VAL 52 3HG1 VAL 52 -5.315 1.424 2.534 369 HG21 VAL 52 1HG2 VAL 52 -6.913 0.890 0.048 370 HG22 VAL 52 2HG2 VAL 52 -8.368 1.310 0.952 371 HG23 VAL 52 3HG2 VAL 52 -6.848 2.137 1.294 372 H LYS 53 H LYS 53 -8.131 -2.881 2.209 373 HA LYS 53 HA LYS 53 -6.639 -3.707 4.526 374 HB2 LYS 53 1HB LYS 53 -9.249 -3.613 4.097 375 HB3 LYS 53 2HB LYS 53 -8.987 -5.250 3.512 376 HG2 LYS 53 1HG LYS 53 -9.567 -5.517 5.751 377 HG3 LYS 53 2HG LYS 53 -7.808 -5.670 5.738 378 HD2 LYS 53 1HD LYS 53 -7.500 -3.552 6.674 379 HD3 LYS 53 2HD LYS 53 -9.131 -3.026 6.250 380 HE2 LYS 53 1HE LYS 53 -10.028 -4.671 7.874 381 HE3 LYS 53 2HE LYS 53 -8.374 -5.059 8.346 382 HZ1 LYS 53 1HZ LYS 53 -9.875 -3.201 9.541 383 HZ2 LYS 53 2HZ LYS 53 -9.048 -2.244 8.419 384 HZ3 LYS 53 3HZ LYS 53 -8.184 -3.181 9.531 385 H GLU 54 H GLU 54 -7.821 -5.432 1.632 386 HA GLU 54 HA GLU 54 -6.674 -7.868 1.967 387 HB2 GLU 54 1HB GLU 54 -7.182 -6.205 -0.459 388 HB3 GLU 54 2HB GLU 54 -6.263 -7.692 -0.642 389 HG2 GLU 54 1HG GLU 54 -8.298 -8.659 0.766 390 HG3 GLU 54 2HG GLU 54 -9.119 -7.291 0.016 391 H PHE 55 H PHE 55 -5.064 -5.043 0.520 392 HA PHE 55 HA PHE 55 -2.624 -6.106 -0.107 393 HB2 PHE 55 1HB PHE 55 -3.414 -3.716 -0.438 394 HB3 PHE 55 2HB PHE 55 -2.927 -3.414 1.226 395 HD1 PHE 55 HD1 PHE 55 -1.354 -5.286 -1.592 396 HD2 PHE 55 HD2 PHE 55 -1.014 -2.152 1.268 397 HE1 PHE 55 HE1 PHE 55 0.946 -4.847 -2.351 398 HE2 PHE 55 HE2 PHE 55 1.285 -1.708 0.513 399 HZ PHE 55 HZ PHE 55 2.268 -3.055 -1.299 400 H LEU 56 H LEU 56 -3.709 -4.984 3.072 401 HA LEU 56 HA LEU 56 -1.290 -5.307 4.444 402 HB2 LEU 56 1HB LEU 56 -3.973 -5.813 5.698 403 HB3 LEU 56 2HB LEU 56 -2.536 -5.129 6.435 404 HG LEU 56 HG LEU 56 -4.317 -3.783 4.403 405 HD11 LEU 56 1HD1 LEU 56 -3.872 -3.375 7.350 406 HD12 LEU 56 2HD1 LEU 56 -4.653 -2.183 6.311 407 HD13 LEU 56 3HD1 LEU 56 -5.377 -3.777 6.523 408 HD21 LEU 56 1HD2 LEU 56 -2.714 -2.299 3.998 409 HD22 LEU 56 2HD2 LEU 56 -2.399 -2.083 5.720 410 HD23 LEU 56 3HD2 LEU 56 -1.592 -3.375 4.832 411 H ASN 57 H ASN 57 -4.099 -7.512 4.451 412 HA ASN 57 HA ASN 57 -3.085 -9.616 5.836 413 HB2 ASN 57 1HB ASN 57 -5.364 -9.271 4.514 414 HB3 ASN 57 2HB ASN 57 -4.550 -10.281 3.323 415 HD21 ASN 57 1HD2 ASN 57 -6.888 -10.816 5.004 416 HD22 ASN 57 2HD2 ASN 57 -6.511 -12.250 5.890 417 H GLU 58 H GLU 58 -2.531 -8.912 2.409 418 HA GLU 58 HA GLU 58 -1.147 -11.190 1.672 419 HB2 GLU 58 1HB GLU 58 -1.098 -8.350 0.757 420 HB3 GLU 58 2HB GLU 58 0.144 -9.442 0.161 421 HG2 GLU 58 1HG GLU 58 -1.432 -9.675 -1.467 422 HG3 GLU 58 2HG GLU 58 -1.902 -10.981 -0.381 423 H GLY 59 H GLY 59 -0.006 -8.350 3.414 424 HA2 GLY 59 1HA GLY 59 2.731 -9.350 3.441 425 HA3 GLY 59 2HA GLY 59 2.170 -7.828 4.117 426 H GLY 60 H GLY 60 0.017 -8.970 5.658 427 HA2 GLY 60 1HA GLY 60 -0.143 -10.700 7.408 428 HA3 GLY 60 2HA GLY 60 1.581 -10.478 7.662 429 H ARG 61 H ARG 61 -0.386 -7.697 7.066 430 HA ARG 61 HA ARG 61 -0.120 -6.955 9.904 431 HB2 ARG 61 1HB ARG 61 0.202 -5.421 7.374 432 HB3 ARG 61 2HB ARG 61 -0.481 -4.573 8.754 433 HG2 ARG 61 1HG ARG 61 1.714 -4.121 9.097 434 HG3 ARG 61 2HG ARG 61 1.604 -5.645 9.980 435 HD2 ARG 61 1HD ARG 61 2.256 -6.748 7.756 436 HD3 ARG 61 2HD ARG 61 2.737 -5.129 7.250 437 HE ARG 61 HE ARG 61 4.542 -5.238 8.682 438 HH11 ARG 61 1HH1 ARG 61 2.401 -7.925 9.246 439 HH12 ARG 61 2HH1 ARG 61 3.522 -8.775 10.256 440 HH21 ARG 61 1HH2 ARG 61 6.027 -6.348 10.011 441 HH22 ARG 61 2HH2 ARG 61 5.585 -7.877 10.691 442 H ALA 62 H ALA 62 -2.333 -8.341 8.281 443 HA ALA 62 HA ALA 62 -4.562 -6.753 7.962 444 HB1 ALA 62 1HB ALA 62 -5.862 -8.712 8.054 445 HB2 ALA 62 2HB ALA 62 -4.292 -9.221 7.433 446 HB3 ALA 62 3HB ALA 62 -4.713 -9.522 9.119 447 H THR 63 H THR 63 -3.492 -8.408 10.923 448 HA THR 63 HA THR 63 -5.562 -7.744 12.615 449 HB THR 63 HB THR 63 -3.803 -9.233 13.346 450 HG1 THR 63 HG1 THR 63 -4.365 -8.571 15.268 451 HG21 THR 63 1HG2 THR 63 -1.797 -8.516 12.461 452 HG22 THR 63 2HG2 THR 63 -1.622 -8.013 14.142 453 HG23 THR 63 3HG2 THR 63 -2.077 -6.835 12.912 454 H SER 64 H SER 64 -2.939 -5.736 11.464 455 HA SER 64 HA SER 64 -3.189 -3.634 13.326 456 HB2 SER 64 1HB SER 64 -1.373 -4.150 11.462 457 HB3 SER 64 2HB SER 64 -2.374 -3.053 10.512 458 HG SER 64 HG SER 64 -0.683 -1.994 11.696 459 H LYS 65 H LYS 65 -4.334 -1.726 13.283 460 HA LYS 65 HA LYS 65 -6.763 -1.774 11.682 461 HB2 LYS 65 1HB LYS 65 -6.757 -1.306 14.164 462 HB3 LYS 65 2HB LYS 65 -5.975 0.227 13.802 463 HG2 LYS 65 1HG LYS 65 -7.986 0.637 12.248 464 HG3 LYS 65 2HG LYS 65 -8.754 -0.669 13.153 465 HD2 LYS 65 1HD LYS 65 -8.600 0.531 15.190 466 HD3 LYS 65 2HD LYS 65 -7.505 1.723 14.487 467 HE2 LYS 65 1HE LYS 65 -10.318 1.320 13.501 468 HE3 LYS 65 2HE LYS 65 -9.921 2.437 14.805 469 HZ1 LYS 65 1HZ LYS 65 -8.304 3.470 13.202 470 HZ2 LYS 65 2HZ LYS 65 -9.940 3.697 12.837 471 HZ3 LYS 65 3HZ LYS 65 -9.034 2.552 11.982 472 H ASP 66 H ASP 66 -4.043 0.421 12.317 473 HA ASP 66 HA ASP 66 -4.895 2.299 10.313 474 HB2 ASP 66 1HB ASP 66 -2.386 2.053 11.972 475 HB3 ASP 66 2HB ASP 66 -2.613 3.322 10.771 476 H TRP 67 H TRP 67 -4.736 1.861 8.221 477 HA TRP 67 HA TRP 67 -2.850 -0.072 7.218 478 HB2 TRP 67 1HB TRP 67 -3.871 0.452 5.012 479 HB3 TRP 67 2HB TRP 67 -5.060 0.008 6.233 480 HD1 TRP 67 HD1 TRP 67 -6.593 2.031 7.227 481 HE1 TRP 67 HE1 TRP 67 -7.318 4.256 6.155 482 HE3 TRP 67 HE3 TRP 67 -3.154 2.271 3.452 483 HZ2 TRP 67 HZ2 TRP 67 -6.536 5.895 3.994 484 HZ3 TRP 67 HZ3 TRP 67 -3.211 4.200 1.926 485 HH2 TRP 67 HH2 TRP 67 -4.868 5.973 2.192 486 H LYS 68 H LYS 68 -3.115 3.401 7.376 487 HA LYS 68 HA LYS 68 -1.168 4.030 5.421 488 HB2 LYS 68 1HB LYS 68 -2.074 5.608 7.836 489 HB3 LYS 68 2HB LYS 68 -1.106 6.251 6.515 490 HG2 LYS 68 1HG LYS 68 -2.883 6.070 4.985 491 HG3 LYS 68 2HG LYS 68 -3.816 5.039 6.072 492 HD2 LYS 68 1HD LYS 68 -3.768 7.058 7.674 493 HD3 LYS 68 2HD LYS 68 -3.298 7.989 6.249 494 HE2 LYS 68 1HE LYS 68 -5.317 7.303 5.100 495 HE3 LYS 68 2HE LYS 68 -5.769 6.269 6.455 496 HZ1 LYS 68 1HZ LYS 68 -6.616 8.786 6.131 497 HZ2 LYS 68 2HZ LYS 68 -5.283 9.037 7.141 498 HZ3 LYS 68 3HZ LYS 68 -6.529 8.003 7.628 499 H GLY 69 H GLY 69 -0.957 2.899 8.671 500 HA2 GLY 69 1HA GLY 69 1.778 3.794 9.046 501 HA3 GLY 69 2HA GLY 69 0.831 2.827 10.167 502 H VAL 70 H VAL 70 0.106 0.699 8.556 503 HA VAL 70 HA VAL 70 2.465 -0.877 8.640 504 HB VAL 70 HB VAL 70 1.080 -2.662 7.641 505 HG11 VAL 70 1HG1 VAL 70 0.999 -2.475 10.005 506 HG12 VAL 70 2HG1 VAL 70 -0.103 -1.098 9.926 507 HG13 VAL 70 3HG1 VAL 70 -0.661 -2.705 9.459 508 HG21 VAL 70 1HG2 VAL 70 -0.711 -0.362 7.104 509 HG22 VAL 70 2HG2 VAL 70 -0.416 -1.817 6.151 510 HG23 VAL 70 3HG2 VAL 70 -1.469 -1.887 7.564 511 H ILE 71 H ILE 71 0.614 0.598 6.016 512 HA ILE 71 HA ILE 71 2.299 -0.535 3.969 513 HB ILE 71 HB ILE 71 0.220 1.647 3.761 514 HG12 ILE 71 1HG1 ILE 71 -0.024 -1.272 3.019 515 HG13 ILE 71 2HG1 ILE 71 -0.588 -0.610 4.549 516 HG21 ILE 71 1HG2 ILE 71 1.484 -0.021 1.591 517 HG22 ILE 71 2HG2 ILE 71 0.264 1.234 1.378 518 HG23 ILE 71 3HG2 ILE 71 1.880 1.661 1.940 519 HD11 ILE 71 1HD1 ILE 71 -1.544 0.669 2.053 520 HD12 ILE 71 2HD1 ILE 71 -2.191 -0.915 2.482 521 HD13 ILE 71 3HD1 ILE 71 -2.362 0.439 3.598 522 H ARG 72 H ARG 72 3.892 0.467 2.809 523 HA ARG 72 HA ARG 72 4.615 3.208 3.589 524 HB2 ARG 72 1HB ARG 72 6.500 0.861 3.312 525 HB3 ARG 72 2HB ARG 72 7.008 2.533 3.511 526 HG2 ARG 72 1HG ARG 72 5.554 2.451 5.658 527 HG3 ARG 72 2HG ARG 72 5.714 0.703 5.481 528 HD2 ARG 72 1HD ARG 72 8.187 1.012 5.385 529 HD3 ARG 72 2HD ARG 72 7.939 2.719 5.750 530 HE ARG 72 HE ARG 72 6.661 1.551 7.783 531 HH11 ARG 72 1HH1 ARG 72 9.798 0.951 6.397 532 HH12 ARG 72 2HH1 ARG 72 10.498 0.411 7.888 533 HH21 ARG 72 1HH2 ARG 72 7.570 0.843 9.751 534 HH22 ARG 72 2HH2 ARG 72 9.229 0.349 9.795 535 H CYS 73 H CYS 73 5.310 4.517 1.966 536 HA CYS 73 HA CYS 73 4.923 3.556 -0.736 537 HB2 CYS 73 1HB CYS 73 4.038 5.755 -0.006 538 HB3 CYS 73 2HB CYS 73 5.687 6.316 0.237 539 HG CYS 73 HG CYS 73 4.422 5.338 -2.788 540 H ASN 74 H ASN 74 7.491 5.579 0.690 541 HA ASN 74 HA ASN 74 9.427 4.113 -0.981 542 HB2 ASN 74 1HB ASN 74 9.105 7.011 -0.383 543 HB3 ASN 74 2HB ASN 74 10.749 6.394 -0.520 544 HD21 ASN 74 1HD2 ASN 74 7.638 6.093 -2.206 545 HD22 ASN 74 2HD2 ASN 74 8.297 6.232 -3.798 546 H GLY 75 H GLY 75 8.427 3.812 1.907 547 HA2 GLY 75 1HA GLY 75 10.027 2.534 3.352 548 HA3 GLY 75 2HA GLY 75 11.086 3.928 3.193 549 H GLU 76 H GLU 76 8.204 5.333 3.303 550 HA GLU 76 HA GLU 76 8.175 5.456 6.248 551 HB2 GLU 76 1HB GLU 76 7.814 7.623 4.192 552 HB3 GLU 76 2HB GLU 76 7.222 7.810 5.837 553 HG2 GLU 76 1HG GLU 76 9.388 8.854 5.583 554 HG3 GLU 76 2HG GLU 76 9.485 7.487 6.692 555 H THR 77 H THR 77 6.039 6.267 7.120 556 HA THR 77 HA THR 77 3.944 4.603 6.051 557 HB THR 77 HB THR 77 2.625 5.351 7.986 558 HG1 THR 77 HG1 THR 77 4.674 7.244 8.119 559 HG21 THR 77 1HG2 THR 77 5.293 4.838 9.183 560 HG22 THR 77 2HG2 THR 77 4.671 3.645 8.044 561 HG23 THR 77 3HG2 THR 77 3.746 4.051 9.489 562 H LEU 78 H LEU 78 2.256 5.206 4.838 563 HA LEU 78 HA LEU 78 2.118 7.405 3.289 564 HB2 LEU 78 1HB LEU 78 -0.259 6.018 4.533 565 HB3 LEU 78 2HB LEU 78 -0.319 7.057 3.121 566 HG LEU 78 HG LEU 78 1.187 4.444 3.284 567 HD11 LEU 78 1HD1 LEU 78 -1.167 4.003 3.339 568 HD12 LEU 78 2HD1 LEU 78 -1.459 5.144 2.027 569 HD13 LEU 78 3HD1 LEU 78 -0.570 3.653 1.717 570 HD21 LEU 78 1HD2 LEU 78 1.519 6.618 1.555 571 HD22 LEU 78 2HD2 LEU 78 2.153 4.985 1.359 572 HD23 LEU 78 3HD2 LEU 78 0.601 5.419 0.644 573 H ARG 79 H ARG 79 0.930 7.161 6.602 574 HA ARG 79 HA ARG 79 -0.393 9.624 6.746 575 HB2 ARG 79 1HB ARG 79 -0.746 8.032 8.485 576 HB3 ARG 79 2HB ARG 79 0.972 7.953 8.851 577 HG2 ARG 79 1HG ARG 79 -0.052 9.213 10.572 578 HG3 ARG 79 2HG ARG 79 0.835 10.354 9.558 579 HD2 ARG 79 1HD ARG 79 -1.181 11.440 9.848 580 HD3 ARG 79 2HD ARG 79 -1.434 10.605 8.316 581 HE ARG 79 HE ARG 79 -2.415 8.824 10.027 582 HH11 ARG 79 1HH1 ARG 79 -2.866 12.272 9.847 583 HH12 ARG 79 2HH1 ARG 79 -4.461 12.230 10.520 584 HH21 ARG 79 1HH2 ARG 79 -4.516 8.756 10.915 585 HH22 ARG 79 2HH2 ARG 79 -5.399 10.230 11.128 586 H HIS 80 H HIS 80 2.963 8.772 7.549 587 HA HIS 80 HA HIS 80 3.786 11.304 8.409 588 HB2 HIS 80 1HB HIS 80 5.090 9.232 8.754 589 HB3 HIS 80 2HB HIS 80 5.449 9.185 7.030 590 HD1 HIS 80 HD1 HIS 80 6.584 10.636 10.201 591 HD2 HIS 80 HD2 HIS 80 7.161 11.341 6.147 592 HE1 HIS 80 HE1 HIS 80 8.614 12.112 10.058 593 HE2 HIS 80 HE2 HIS 80 8.893 12.595 7.601 594 H LEU 81 H LEU 81 3.876 9.828 5.183 595 HA LEU 81 HA LEU 81 5.166 11.954 3.872 596 HB2 LEU 81 1HB LEU 81 3.187 9.970 2.745 597 HB3 LEU 81 2HB LEU 81 4.281 10.969 1.805 598 HG LEU 81 HG LEU 81 5.147 8.839 3.762 599 HD11 LEU 81 1HD1 LEU 81 4.523 8.787 0.870 600 HD12 LEU 81 2HD1 LEU 81 5.963 7.919 1.401 601 HD13 LEU 81 3HD1 LEU 81 4.389 7.517 2.086 602 HD21 LEU 81 1HD2 LEU 81 6.694 10.530 1.804 603 HD22 LEU 81 2HD2 LEU 81 6.794 10.591 3.563 604 HD23 LEU 81 3HD2 LEU 81 7.353 9.160 2.698 605 H GLU 82 H GLU 82 1.727 11.239 4.356 606 HA GLU 82 HA GLU 82 0.630 13.269 2.815 607 HB2 GLU 82 1HB GLU 82 -0.627 11.416 3.936 608 HB3 GLU 82 2HB GLU 82 -0.454 12.281 5.456 609 HG2 GLU 82 1HG GLU 82 -1.646 13.724 3.153 610 HG3 GLU 82 2HG GLU 82 -2.616 12.497 3.966 611 H GLN 83 H GLN 83 1.696 13.352 6.195 612 HA GLN 83 HA GLN 83 0.867 15.936 6.825 613 HB2 GLN 83 1HB GLN 83 3.159 14.261 7.830 614 HB3 GLN 83 2HB GLN 83 2.812 15.856 8.484 615 HG2 GLN 83 1HG GLN 83 0.553 15.087 9.087 616 HG3 GLN 83 2HG GLN 83 0.968 13.478 8.500 617 HE21 GLN 83 1HE2 GLN 83 1.041 12.267 10.272 618 HE22 GLN 83 2HE2 GLN 83 1.992 12.602 11.675 619 H LYS 84 H LYS 84 3.773 14.800 5.196 620 HA LYS 84 HA LYS 84 4.961 17.427 5.100 621 HB2 LYS 84 1HB LYS 84 5.707 14.803 3.803 622 HB3 LYS 84 2HB LYS 84 6.635 16.284 3.603 623 HG2 LYS 84 1HG LYS 84 7.415 16.252 5.758 624 HG3 LYS 84 2HG LYS 84 6.046 15.313 6.355 625 HD2 LYS 84 1HD LYS 84 7.649 13.688 6.377 626 HD3 LYS 84 2HD LYS 84 7.062 13.488 4.724 627 HE2 LYS 84 1HE LYS 84 8.879 15.034 3.980 628 HE3 LYS 84 2HE LYS 84 9.507 15.003 5.626 629 HZ1 LYS 84 1HZ LYS 84 10.658 13.230 4.992 630 HZ2 LYS 84 2HZ LYS 84 9.801 13.076 3.542 631 HZ3 LYS 84 3HZ LYS 84 9.201 12.370 4.957 632 H GLY 85 H GLY 85 2.294 16.559 3.737 633 HA2 GLY 85 1HA GLY 85 1.126 17.255 1.886 634 HA3 GLY 85 2HA GLY 85 2.436 18.391 1.598 635 H LEU 86 H LEU 86 2.857 14.910 1.727 636 HA LEU 86 HA LEU 86 3.744 14.983 -1.065 637 HB2 LEU 86 1HB LEU 86 4.116 12.764 0.944 638 HB3 LEU 86 2HB LEU 86 4.924 12.939 -0.603 639 HG LEU 86 HG LEU 86 5.271 14.902 1.658 640 HD11 LEU 86 1HD1 LEU 86 7.126 13.757 2.428 641 HD12 LEU 86 2HD1 LEU 86 5.988 12.453 2.091 642 HD13 LEU 86 3HD1 LEU 86 7.283 12.810 0.949 643 HD21 LEU 86 1HD2 LEU 86 7.373 15.392 0.365 644 HD22 LEU 86 2HD2 LEU 86 6.712 14.402 -0.936 645 HD23 LEU 86 3HD2 LEU 86 5.870 15.865 -0.426 646 H LEU 87 H LEU 87 1.505 13.341 1.099 647 HA LEU 87 HA LEU 87 0.284 12.037 -1.244 648 HB2 LEU 87 1HB LEU 87 1.251 10.523 0.505 649 HB3 LEU 87 2HB LEU 87 0.074 11.165 1.636 650 HG LEU 87 HG LEU 87 -1.690 10.377 -0.088 651 HD11 LEU 87 1HD1 LEU 87 -1.014 9.279 -1.890 652 HD12 LEU 87 2HD1 LEU 87 0.654 9.645 -1.449 653 HD13 LEU 87 3HD1 LEU 87 -0.094 8.145 -0.901 654 HD21 LEU 87 1HD2 LEU 87 -0.529 7.946 1.005 655 HD22 LEU 87 2HD2 LEU 87 -0.597 9.258 2.180 656 HD23 LEU 87 3HD2 LEU 87 -2.068 8.729 1.366 657 H PHE 88 H PHE 88 -1.971 12.042 -1.435 658 HA PHE 88 HA PHE 88 -3.254 14.298 -0.111 659 HB2 PHE 88 1HB PHE 88 -4.726 14.378 -1.888 660 HB3 PHE 88 2HB PHE 88 -3.307 13.692 -2.673 661 HD1 PHE 88 HD1 PHE 88 -3.266 10.956 -2.227 662 HD2 PHE 88 HD2 PHE 88 -6.688 13.459 -2.608 663 HE1 PHE 88 HE1 PHE 88 -4.600 9.018 -2.946 664 HE2 PHE 88 HE2 PHE 88 -8.027 11.525 -3.327 665 HZ PHE 88 HZ PHE 88 -6.984 9.300 -3.496 666 H SER 89 H SER 89 -3.518 10.809 -0.372 667 HA SER 89 HA SER 89 -4.807 9.269 0.705 668 HB2 SER 89 1HB SER 89 -3.533 10.056 2.629 669 HB3 SER 89 2HB SER 89 -4.675 11.376 2.876 670 HG SER 89 HG SER 89 -4.832 9.147 4.048 671 H GLY 90 H GLY 90 -6.238 10.945 -1.035 672 HA2 GLY 90 1HA GLY 90 -8.574 10.813 -1.484 673 HA3 GLY 90 2HA GLY 90 -8.876 10.825 0.248 674 HA PRO 91 HA PRO 91 -9.719 15.064 -1.493 675 HB2 PRO 91 1HB PRO 91 -12.193 15.299 -0.399 676 HB3 PRO 91 2HB PRO 91 -11.907 14.555 -1.977 677 HG2 PRO 91 1HG PRO 91 -12.329 13.250 0.684 678 HG3 PRO 91 2HG PRO 91 -12.999 12.809 -0.897 679 HD2 PRO 91 1HD PRO 91 -10.887 11.519 0.201 680 HD3 PRO 91 2HD PRO 91 -11.072 11.727 -1.553 681 H SER 92 H SER 92 -9.230 16.870 -0.381 682 HA SER 92 HA SER 92 -9.422 16.789 2.557 683 HB2 SER 92 1HB SER 92 -7.316 18.144 2.616 684 HB3 SER 92 2HB SER 92 -7.090 16.510 1.991 685 HG SER 92 HG SER 92 -7.288 17.485 -0.142 686 H SER 93 H SER 93 -10.904 18.217 3.156 687 HA SER 93 HA SER 93 -11.763 20.382 1.542 688 HB2 SER 93 1HB SER 93 -13.251 19.305 3.169 689 HB3 SER 93 2HB SER 93 -12.229 19.869 4.491 690 HG SER 93 HG SER 93 -13.800 21.416 2.714 691 H GLY 94 H GLY 94 -11.333 22.551 1.636 692 HA2 GLY 94 1HA GLY 94 -10.377 24.286 3.298 693 HA3 GLY 94 2HA GLY 94 -8.937 23.286 3.177 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 1.598 -0.506 -25.235 2 HA2 GLY 1 1HA GLY 1 3.267 0.809 -26.114 3 HA3 GLY 1 2HA GLY 1 4.340 -0.220 -25.176 4 H SER 2 H SER 2 3.146 0.564 -28.308 5 HA SER 2 HA SER 2 4.329 -1.726 -29.612 6 HB2 SER 2 1HB SER 2 2.251 -0.360 -30.373 7 HB3 SER 2 2HB SER 2 3.434 0.765 -31.039 8 HG SER 2 HG SER 2 3.811 -0.589 -32.598 9 H SER 3 H SER 3 4.907 1.793 -29.758 10 HA SER 3 HA SER 3 7.522 1.345 -30.935 11 HB2 SER 3 1HB SER 3 5.856 3.241 -31.538 12 HB3 SER 3 2HB SER 3 6.461 4.028 -30.080 13 HG SER 3 HG SER 3 7.611 3.822 -32.516 14 H GLY 4 H GLY 4 9.313 2.880 -30.013 15 HA2 GLY 4 1HA GLY 4 9.673 2.067 -27.240 16 HA3 GLY 4 2HA GLY 4 10.903 2.743 -28.297 17 H SER 5 H SER 5 9.990 5.104 -29.083 18 HA SER 5 HA SER 5 10.547 6.876 -27.114 19 HB2 SER 5 1HB SER 5 9.445 8.591 -28.425 20 HB3 SER 5 2HB SER 5 10.212 7.444 -29.524 21 HG SER 5 HG SER 5 8.179 7.750 -30.300 22 H SER 6 H SER 6 7.305 5.669 -27.918 23 HA SER 6 HA SER 6 6.287 6.879 -25.442 24 HB2 SER 6 1HB SER 6 4.734 5.735 -27.775 25 HB3 SER 6 2HB SER 6 4.057 6.596 -26.393 26 HG SER 6 HG SER 6 4.269 8.191 -27.804 27 H GLY 7 H GLY 7 4.433 5.522 -24.440 28 HA2 GLY 7 1HA GLY 7 4.127 2.821 -24.611 29 HA3 GLY 7 2HA GLY 7 5.597 3.007 -23.665 30 H ASN 8 H ASN 8 5.484 3.728 -21.561 31 HA ASN 8 HA ASN 8 2.849 3.541 -20.347 32 HB2 ASN 8 1HB ASN 8 5.624 3.705 -19.158 33 HB3 ASN 8 2HB ASN 8 4.150 3.608 -18.198 34 HD21 ASN 8 1HD2 ASN 8 3.385 1.669 -17.716 35 HD22 ASN 8 2HD2 ASN 8 3.896 0.181 -18.430 36 H ASP 9 H ASP 9 1.699 5.214 -19.620 37 HA ASP 9 HA ASP 9 2.853 7.888 -19.855 38 HB2 ASP 9 1HB ASP 9 0.393 8.552 -19.424 39 HB3 ASP 9 2HB ASP 9 0.795 7.807 -20.969 40 H ALA 10 H ALA 10 2.541 5.602 -17.513 41 HA ALA 10 HA ALA 10 1.758 7.310 -15.322 42 HB1 ALA 10 1HB ALA 10 1.525 5.418 -14.146 43 HB2 ALA 10 2HB ALA 10 1.691 4.613 -15.706 44 HB3 ALA 10 3HB ALA 10 3.094 4.793 -14.653 45 H VAL 11 H VAL 11 4.265 7.727 -17.063 46 HA VAL 11 HA VAL 11 6.571 7.324 -15.545 47 HB VAL 11 HB VAL 11 5.982 9.578 -17.469 48 HG11 VAL 11 1HG1 VAL 11 8.068 10.327 -17.207 49 HG12 VAL 11 2HG1 VAL 11 8.109 9.368 -15.726 50 HG13 VAL 11 3HG1 VAL 11 8.743 8.698 -17.230 51 HG21 VAL 11 1HG2 VAL 11 5.876 7.037 -18.148 52 HG22 VAL 11 2HG2 VAL 11 6.649 8.226 -19.196 53 HG23 VAL 11 3HG2 VAL 11 7.633 7.197 -18.156 54 H ASP 12 H ASP 12 4.200 9.927 -15.466 55 HA ASP 12 HA ASP 12 5.663 11.617 -13.711 56 HB2 ASP 12 1HB ASP 12 2.839 11.492 -14.683 57 HB3 ASP 12 2HB ASP 12 3.209 12.503 -13.290 58 H PHE 13 H PHE 13 3.493 8.927 -13.252 59 HA PHE 13 HA PHE 13 2.731 7.843 -11.399 60 HB2 PHE 13 1HB PHE 13 5.473 8.765 -10.637 61 HB3 PHE 13 2HB PHE 13 4.465 7.988 -9.421 62 HD1 PHE 13 HD2 PHE 13 3.068 5.957 -11.007 63 HD2 PHE 13 HD1 PHE 13 7.129 7.225 -11.125 64 HE1 PHE 13 HE2 PHE 13 3.729 3.749 -11.870 65 HE2 PHE 13 HE1 PHE 13 7.797 5.020 -11.989 66 HZ PHE 13 HZ PHE 13 6.096 3.279 -12.362 67 H SER 14 H SER 14 1.595 10.344 -11.711 68 HA SER 14 HA SER 14 1.681 11.762 -9.196 69 HB2 SER 14 1HB SER 14 1.228 13.328 -10.788 70 HB3 SER 14 2HB SER 14 0.428 12.169 -11.849 71 HG SER 14 HG SER 14 -0.790 12.930 -9.433 72 HA PRO 15 HA PRO 15 -2.837 10.171 -8.795 73 HB2 PRO 15 1HB PRO 15 -3.803 8.544 -10.742 74 HB3 PRO 15 2HB PRO 15 -3.917 10.306 -10.819 75 HG2 PRO 15 1HG PRO 15 -1.950 8.476 -12.139 76 HG3 PRO 15 2HG PRO 15 -2.792 9.886 -12.810 77 HD2 PRO 15 1HD PRO 15 -0.226 9.993 -11.949 78 HD3 PRO 15 2HD PRO 15 -1.331 11.379 -11.835 79 H THR 16 H THR 16 -0.112 8.380 -9.481 80 HA THR 16 HA THR 16 -1.167 6.073 -7.989 81 HB THR 16 HB THR 16 0.417 4.626 -9.312 82 HG1 THR 16 HG1 THR 16 0.647 5.846 -11.541 83 HG21 THR 16 1HG2 THR 16 -2.167 5.264 -9.799 84 HG22 THR 16 2HG2 THR 16 -1.260 4.066 -10.723 85 HG23 THR 16 3HG2 THR 16 -1.432 5.709 -11.338 86 H LEU 17 H LEU 17 0.098 5.317 -6.369 87 HA LEU 17 HA LEU 17 2.814 6.418 -6.114 88 HB2 LEU 17 1HB LEU 17 0.874 6.111 -3.824 89 HB3 LEU 17 2HB LEU 17 2.486 6.797 -3.753 90 HG LEU 17 HG LEU 17 0.198 8.004 -5.308 91 HD11 LEU 17 1HD1 LEU 17 0.428 7.911 -2.570 92 HD12 LEU 17 2HD1 LEU 17 1.174 9.455 -2.984 93 HD13 LEU 17 3HD1 LEU 17 -0.478 9.109 -3.494 94 HD21 LEU 17 1HD2 LEU 17 1.591 9.860 -5.667 95 HD22 LEU 17 2HD2 LEU 17 2.772 9.310 -4.479 96 HD23 LEU 17 3HD2 LEU 17 2.602 8.457 -6.013 97 HA PRO 18 HA PRO 18 3.917 2.190 -5.500 98 HB2 PRO 18 1HB PRO 18 6.401 2.592 -4.480 99 HB3 PRO 18 2HB PRO 18 6.019 2.806 -6.193 100 HG2 PRO 18 1HG PRO 18 6.269 4.867 -4.036 101 HG3 PRO 18 2HG PRO 18 6.875 4.912 -5.702 102 HD2 PRO 18 1HD PRO 18 4.612 6.190 -4.940 103 HD3 PRO 18 2HD PRO 18 4.823 5.509 -6.566 104 H VAL 19 H VAL 19 3.138 0.957 -3.917 105 HA VAL 19 HA VAL 19 3.716 1.712 -1.127 106 HB VAL 19 HB VAL 19 1.570 0.739 -0.456 107 HG11 VAL 19 1HG1 VAL 19 1.448 3.053 -0.706 108 HG12 VAL 19 2HG1 VAL 19 1.569 2.966 -2.464 109 HG13 VAL 19 3HG1 VAL 19 0.085 2.461 -1.655 110 HG21 VAL 19 1HG2 VAL 19 -0.122 0.320 -2.296 111 HG22 VAL 19 2HG2 VAL 19 1.242 0.295 -3.413 112 HG23 VAL 19 3HG2 VAL 19 1.146 -0.891 -2.111 113 H THR 20 H THR 20 4.099 0.026 0.336 114 HA THR 20 HA THR 20 4.208 -2.703 -0.674 115 HB THR 20 HB THR 20 6.589 -2.878 0.339 116 HG1 THR 20 HG1 THR 20 6.834 -0.198 -0.490 117 HG21 THR 20 1HG2 THR 20 7.568 -2.019 -1.874 118 HG22 THR 20 2HG2 THR 20 5.904 -1.632 -2.309 119 HG23 THR 20 3HG2 THR 20 6.359 -3.299 -1.958 120 H CYS 21 H CYS 21 3.626 -4.114 0.853 121 HA CYS 21 HA CYS 21 3.865 -3.307 3.673 122 HB2 CYS 21 1HB CYS 21 1.528 -3.061 2.909 123 HB3 CYS 21 2HB CYS 21 1.517 -4.753 2.427 124 HG CYS 21 HG CYS 21 2.171 -3.907 5.660 125 H GLY 22 H GLY 22 5.354 -4.615 4.520 126 HA2 GLY 22 1HA GLY 22 6.458 -6.529 5.138 127 HA3 GLY 22 2HA GLY 22 4.936 -7.362 4.856 128 H LYS 23 H LYS 23 4.881 -8.820 3.278 129 HA LYS 23 HA LYS 23 7.157 -8.931 1.431 130 HB2 LYS 23 1HB LYS 23 6.485 -11.270 1.052 131 HB3 LYS 23 2HB LYS 23 6.792 -10.941 2.752 132 HG2 LYS 23 1HG LYS 23 4.862 -12.105 2.964 133 HG3 LYS 23 2HG LYS 23 4.177 -10.493 2.746 134 HD2 LYS 23 1HD LYS 23 2.949 -11.774 1.252 135 HD3 LYS 23 2HD LYS 23 4.210 -11.088 0.224 136 HE2 LYS 23 1HE LYS 23 5.522 -13.199 0.613 137 HE3 LYS 23 2HE LYS 23 4.085 -13.864 1.388 138 HZ1 LYS 23 1HZ LYS 23 4.634 -14.062 -1.232 139 HZ2 LYS 23 2HZ LYS 23 3.617 -12.711 -1.218 140 HZ3 LYS 23 3HZ LYS 23 3.080 -14.179 -0.571 141 H ALA 24 H ALA 24 4.234 -7.586 1.427 142 HA ALA 24 HA ALA 24 3.614 -8.343 -1.351 143 HB1 ALA 24 1HB ALA 24 1.476 -8.414 -0.767 144 HB2 ALA 24 2HB ALA 24 1.955 -8.119 0.905 145 HB3 ALA 24 3HB ALA 24 1.548 -6.764 -0.149 146 H LYS 25 H LYS 25 3.165 -6.718 -2.880 147 HA LYS 25 HA LYS 25 3.719 -3.952 -2.137 148 HB2 LYS 25 1HB LYS 25 5.459 -3.625 -3.703 149 HB3 LYS 25 2HB LYS 25 5.879 -5.098 -2.837 150 HG2 LYS 25 1HG LYS 25 4.787 -6.353 -4.759 151 HG3 LYS 25 2HG LYS 25 4.809 -4.816 -5.626 152 HD2 LYS 25 1HD LYS 25 6.804 -5.708 -6.318 153 HD3 LYS 25 2HD LYS 25 7.336 -4.815 -4.891 154 HE2 LYS 25 1HE LYS 25 8.344 -6.938 -4.723 155 HE3 LYS 25 2HE LYS 25 6.990 -6.966 -3.594 156 HZ1 LYS 25 1HZ LYS 25 6.584 -7.936 -6.336 157 HZ2 LYS 25 2HZ LYS 25 5.805 -8.398 -4.907 158 HZ3 LYS 25 3HZ LYS 25 7.377 -8.934 -5.223 159 H GLY 26 H GLY 26 2.964 -2.408 -3.661 160 HA2 GLY 26 1HA GLY 26 1.696 -3.200 -6.098 161 HA3 GLY 26 2HA GLY 26 0.522 -2.911 -4.822 162 H THR 27 H THR 27 -0.269 -1.212 -6.240 163 HA THR 27 HA THR 27 1.170 1.294 -5.754 164 HB THR 27 HB THR 27 0.038 0.499 -8.444 165 HG1 THR 27 HG1 THR 27 2.458 1.105 -8.831 166 HG21 THR 27 1HG2 THR 27 -0.367 2.842 -8.066 167 HG22 THR 27 2HG2 THR 27 0.989 2.682 -9.183 168 HG23 THR 27 3HG2 THR 27 1.283 3.078 -7.490 169 H LEU 28 H LEU 28 -0.133 2.731 -4.839 170 HA LEU 28 HA LEU 28 -2.994 2.268 -4.801 171 HB2 LEU 28 1HB LEU 28 -2.093 2.859 -2.706 172 HB3 LEU 28 2HB LEU 28 -1.161 4.181 -3.383 173 HG LEU 28 HG LEU 28 -3.601 5.093 -3.965 174 HD11 LEU 28 1HD1 LEU 28 -4.374 4.143 -1.333 175 HD12 LEU 28 2HD1 LEU 28 -5.301 4.212 -2.832 176 HD13 LEU 28 3HD1 LEU 28 -4.241 2.840 -2.513 177 HD21 LEU 28 1HD2 LEU 28 -2.727 6.682 -2.686 178 HD22 LEU 28 2HD2 LEU 28 -3.277 5.792 -1.267 179 HD23 LEU 28 3HD2 LEU 28 -1.655 5.520 -1.902 180 H PHE 29 H PHE 29 -4.484 3.360 -5.928 181 HA PHE 29 HA PHE 29 -3.547 5.562 -7.640 182 HB2 PHE 29 1HB PHE 29 -5.837 3.620 -7.988 183 HB3 PHE 29 2HB PHE 29 -5.572 5.014 -9.032 184 HD1 PHE 29 HD2 PHE 29 -3.441 2.290 -7.620 185 HD2 PHE 29 HD1 PHE 29 -4.673 4.472 -11.060 186 HE1 PHE 29 HE2 PHE 29 -1.914 0.952 -9.011 187 HE2 PHE 29 HE1 PHE 29 -3.149 3.137 -12.457 188 HZ PHE 29 HZ PHE 29 -1.767 1.376 -11.432 189 H GLN 30 H GLN 30 -3.932 7.404 -6.543 190 HA GLN 30 HA GLN 30 -5.725 8.022 -4.630 191 HB2 GLN 30 1HB GLN 30 -5.345 9.993 -6.856 192 HB3 GLN 30 2HB GLN 30 -5.408 10.278 -5.122 193 HG2 GLN 30 1HG GLN 30 -3.216 8.905 -5.065 194 HG3 GLN 30 2HG GLN 30 -3.147 9.268 -6.789 195 HE21 GLN 30 1HE2 GLN 30 -2.426 10.350 -3.702 196 HE22 GLN 30 2HE2 GLN 30 -2.025 11.986 -4.087 197 H GLU 31 H GLU 31 -6.393 7.962 -8.104 198 HA GLU 31 HA GLU 31 -8.990 8.985 -8.041 199 HB2 GLU 31 1HB GLU 31 -8.094 8.818 -10.177 200 HB3 GLU 31 2HB GLU 31 -7.507 7.182 -9.914 201 HG2 GLU 31 1HG GLU 31 -9.505 6.227 -10.431 202 HG3 GLU 31 2HG GLU 31 -10.439 7.619 -9.884 203 H LYS 32 H LYS 32 -7.829 5.656 -7.706 204 HA LYS 32 HA LYS 32 -10.496 4.608 -7.370 205 HB2 LYS 32 1HB LYS 32 -7.737 3.467 -7.393 206 HB3 LYS 32 2HB LYS 32 -9.023 2.535 -6.638 207 HG2 LYS 32 1HG LYS 32 -10.098 2.150 -8.614 208 HG3 LYS 32 2HG LYS 32 -9.489 3.629 -9.361 209 HD2 LYS 32 1HD LYS 32 -7.277 2.636 -9.567 210 HD3 LYS 32 2HD LYS 32 -7.842 1.171 -8.760 211 HE2 LYS 32 1HE LYS 32 -8.986 2.232 -11.339 212 HE3 LYS 32 2HE LYS 32 -7.723 1.006 -11.251 213 HZ1 LYS 32 1HZ LYS 32 -9.163 -0.553 -10.434 214 HZ2 LYS 32 2HZ LYS 32 -10.210 0.320 -11.435 215 HZ3 LYS 32 3HZ LYS 32 -10.220 0.587 -9.764 216 H LEU 33 H LEU 33 -8.404 6.269 -5.400 217 HA LEU 33 HA LEU 33 -9.174 4.874 -2.951 218 HB2 LEU 33 1HB LEU 33 -6.815 5.642 -3.353 219 HB3 LEU 33 2HB LEU 33 -7.397 7.293 -3.252 220 HG LEU 33 HG LEU 33 -8.182 6.809 -0.927 221 HD11 LEU 33 1HD1 LEU 33 -8.430 4.444 -0.968 222 HD12 LEU 33 2HD1 LEU 33 -6.747 4.216 -1.443 223 HD13 LEU 33 3HD1 LEU 33 -7.134 4.816 0.169 224 HD21 LEU 33 1HD2 LEU 33 -5.513 6.274 -0.341 225 HD22 LEU 33 2HD2 LEU 33 -5.481 7.110 -1.893 226 HD23 LEU 33 3HD2 LEU 33 -6.269 7.859 -0.505 227 H LYS 34 H LYS 34 -9.642 7.926 -4.627 228 HA LYS 34 HA LYS 34 -10.820 9.476 -2.687 229 HB2 LYS 34 1HB LYS 34 -11.416 9.242 -5.632 230 HB3 LYS 34 2HB LYS 34 -12.193 10.445 -4.611 231 HG2 LYS 34 1HG LYS 34 -9.895 11.248 -3.989 232 HG3 LYS 34 2HG LYS 34 -9.267 10.186 -5.250 233 HD2 LYS 34 1HD LYS 34 -10.809 11.366 -6.856 234 HD3 LYS 34 2HD LYS 34 -11.132 12.531 -5.570 235 HE2 LYS 34 1HE LYS 34 -8.320 11.908 -6.385 236 HE3 LYS 34 2HE LYS 34 -9.290 13.042 -7.324 237 HZ1 LYS 34 1HZ LYS 34 -9.064 14.607 -5.777 238 HZ2 LYS 34 2HZ LYS 34 -7.827 13.657 -5.123 239 HZ3 LYS 34 3HZ LYS 34 -9.396 13.545 -4.502 240 H GLN 35 H GLN 35 -12.482 7.194 -4.863 241 HA GLN 35 HA GLN 35 -15.064 7.490 -3.991 242 HB2 GLN 35 1HB GLN 35 -13.728 4.874 -4.705 243 HB3 GLN 35 2HB GLN 35 -15.458 5.189 -4.721 244 HG2 GLN 35 1HG GLN 35 -14.696 7.125 -6.370 245 HG3 GLN 35 2HG GLN 35 -13.358 6.009 -6.637 246 HE21 GLN 35 1HE2 GLN 35 -14.757 3.605 -6.294 247 HE22 GLN 35 2HE2 GLN 35 -15.842 3.413 -7.624 248 H GLY 36 H GLY 36 -12.726 5.114 -2.707 249 HA2 GLY 36 1HA GLY 36 -13.312 5.538 -0.014 250 HA3 GLY 36 2HA GLY 36 -14.385 4.267 -0.581 251 H ALA 37 H ALA 37 -11.724 4.637 1.115 252 HA ALA 37 HA ALA 37 -9.638 3.215 0.119 253 HB1 ALA 37 1HB ALA 37 -10.781 3.504 2.836 254 HB2 ALA 37 2HB ALA 37 -9.578 2.237 2.595 255 HB3 ALA 37 3HB ALA 37 -9.176 3.914 2.228 256 H SER 38 H SER 38 -12.718 1.928 1.215 257 HA SER 38 HA SER 38 -12.097 -0.778 1.364 258 HB2 SER 38 1HB SER 38 -14.641 0.672 0.648 259 HB3 SER 38 2HB SER 38 -14.567 -1.089 0.717 260 HG SER 38 HG SER 38 -13.578 -0.598 2.918 261 H LYS 39 H LYS 39 -12.955 1.202 -1.428 262 HA LYS 39 HA LYS 39 -13.207 -0.868 -3.309 263 HB2 LYS 39 1HB LYS 39 -12.335 1.999 -3.714 264 HB3 LYS 39 2HB LYS 39 -12.811 0.900 -5.001 265 HG2 LYS 39 1HG LYS 39 -14.718 1.341 -2.770 266 HG3 LYS 39 2HG LYS 39 -14.497 2.634 -3.952 267 HD2 LYS 39 1HD LYS 39 -15.136 1.194 -5.749 268 HD3 LYS 39 2HD LYS 39 -15.120 -0.221 -4.695 269 HE2 LYS 39 1HE LYS 39 -16.931 2.116 -4.174 270 HE3 LYS 39 2HE LYS 39 -17.389 0.821 -5.279 271 HZ1 LYS 39 1HZ LYS 39 -17.077 -0.762 -3.459 272 HZ2 LYS 39 2HZ LYS 39 -18.252 0.395 -3.083 273 HZ3 LYS 39 3HZ LYS 39 -16.706 0.509 -2.405 274 H LYS 40 H LYS 40 -11.772 -1.843 -4.692 275 HA LYS 40 HA LYS 40 -9.127 -2.208 -3.806 276 HB2 LYS 40 1HB LYS 40 -10.146 -2.793 -6.586 277 HB3 LYS 40 2HB LYS 40 -8.821 -3.584 -5.742 278 HG2 LYS 40 1HG LYS 40 -11.500 -3.702 -4.484 279 HG3 LYS 40 2HG LYS 40 -11.235 -4.663 -5.941 280 HD2 LYS 40 1HD LYS 40 -9.126 -5.519 -4.783 281 HD3 LYS 40 2HD LYS 40 -9.791 -4.814 -3.308 282 HE2 LYS 40 1HE LYS 40 -10.449 -7.084 -3.307 283 HE3 LYS 40 2HE LYS 40 -11.881 -6.160 -3.759 284 HZ1 LYS 40 1HZ LYS 40 -10.071 -7.498 -5.695 285 HZ2 LYS 40 2HZ LYS 40 -11.537 -6.731 -6.045 286 HZ3 LYS 40 3HZ LYS 40 -11.526 -8.156 -5.135 287 H CYS 41 H CYS 41 -7.762 -0.519 -3.759 288 HA CYS 41 HA CYS 41 -7.412 1.018 -6.249 289 HB2 CYS 41 1HB CYS 41 -6.599 2.880 -4.828 290 HB3 CYS 41 2HB CYS 41 -8.270 2.448 -4.485 291 HG CYS 41 HG CYS 41 -7.963 1.983 -1.977 292 H ILE 42 H ILE 42 -5.951 -0.987 -3.889 293 HA ILE 42 HA ILE 42 -3.239 -0.247 -4.649 294 HB ILE 42 HB ILE 42 -4.308 -2.228 -2.643 295 HG12 ILE 42 1HG1 ILE 42 -2.609 0.239 -2.240 296 HG13 ILE 42 2HG1 ILE 42 -4.366 0.241 -2.129 297 HG21 ILE 42 1HG2 ILE 42 -1.599 -1.952 -2.169 298 HG22 ILE 42 2HG2 ILE 42 -2.400 -3.353 -2.876 299 HG23 ILE 42 3HG2 ILE 42 -1.708 -2.113 -3.921 300 HD11 ILE 42 1HD1 ILE 42 -3.449 -1.842 -0.476 301 HD12 ILE 42 2HD1 ILE 42 -2.442 -0.433 -0.145 302 HD13 ILE 42 3HD1 ILE 42 -4.195 -0.317 -0.002 303 H GLN 43 H GLN 43 -2.600 -1.012 -6.565 304 HA GLN 43 HA GLN 43 -3.402 -3.706 -7.380 305 HB2 GLN 43 1HB GLN 43 -3.535 -1.560 -8.865 306 HB3 GLN 43 2HB GLN 43 -1.814 -1.836 -9.102 307 HG2 GLN 43 1HG GLN 43 -2.394 -4.157 -9.858 308 HG3 GLN 43 2HG GLN 43 -4.085 -3.661 -9.833 309 HE21 GLN 43 1HE2 GLN 43 -4.561 -3.687 -11.948 310 HE22 GLN 43 2HE2 GLN 43 -3.770 -2.725 -13.146 311 H ASN 44 H ASN 44 -2.085 -5.330 -6.923 312 HA ASN 44 HA ASN 44 0.633 -4.909 -6.127 313 HB2 ASN 44 1HB ASN 44 0.662 -7.163 -5.530 314 HB3 ASN 44 2HB ASN 44 -1.037 -6.741 -5.337 315 HD21 ASN 44 1HD2 ASN 44 -2.315 -7.027 -7.457 316 HD22 ASN 44 2HD2 ASN 44 -2.052 -8.525 -8.277 317 H GLU 45 H GLU 45 2.265 -6.642 -7.111 318 HA GLU 45 HA GLU 45 2.990 -5.728 -9.633 319 HB2 GLU 45 1HB GLU 45 4.390 -7.911 -9.670 320 HB3 GLU 45 2HB GLU 45 4.725 -6.705 -8.435 321 HG2 GLU 45 1HG GLU 45 3.925 -8.001 -6.747 322 HG3 GLU 45 2HG GLU 45 2.776 -8.842 -7.786 323 H ALA 46 H ALA 46 0.913 -8.378 -8.704 324 HA ALA 46 HA ALA 46 0.822 -9.592 -11.296 325 HB1 ALA 46 1HB ALA 46 -1.113 -10.853 -10.337 326 HB2 ALA 46 2HB ALA 46 0.378 -10.975 -9.402 327 HB3 ALA 46 3HB ALA 46 -0.918 -9.911 -8.858 328 H GLY 47 H GLY 47 -0.263 -6.681 -10.306 329 HA2 GLY 47 1HA GLY 47 -1.617 -5.160 -11.404 330 HA3 GLY 47 2HA GLY 47 -2.055 -6.429 -12.538 331 H ASP 48 H ASP 48 -2.680 -7.980 -9.867 332 HA ASP 48 HA ASP 48 -5.490 -7.543 -9.995 333 HB2 ASP 48 1HB ASP 48 -3.839 -9.110 -8.002 334 HB3 ASP 48 2HB ASP 48 -5.595 -9.170 -8.128 335 H TRP 49 H TRP 49 -6.489 -5.845 -9.154 336 HA TRP 49 HA TRP 49 -5.356 -4.113 -7.242 337 HB2 TRP 49 1HB TRP 49 -8.262 -4.418 -8.031 338 HB3 TRP 49 2HB TRP 49 -7.565 -3.042 -7.181 339 HD1 TRP 49 HD1 TRP 49 -7.598 -4.706 -10.644 340 HE1 TRP 49 HE1 TRP 49 -6.836 -2.972 -12.386 341 HE3 TRP 49 HE3 TRP 49 -6.243 -0.923 -7.484 342 HZ2 TRP 49 HZ2 TRP 49 -5.796 -0.348 -12.417 343 HZ3 TRP 49 HZ3 TRP 49 -5.373 1.166 -8.450 344 HH2 TRP 49 HH2 TRP 49 -5.155 1.445 -10.866 345 H LEU 50 H LEU 50 -5.892 -3.748 -5.065 346 HA LEU 50 HA LEU 50 -7.467 -5.806 -3.708 347 HB2 LEU 50 1HB LEU 50 -4.686 -5.025 -2.832 348 HB3 LEU 50 2HB LEU 50 -5.745 -6.168 -2.029 349 HG LEU 50 HG LEU 50 -4.920 -6.662 -4.863 350 HD11 LEU 50 1HD1 LEU 50 -3.054 -6.298 -2.827 351 HD12 LEU 50 2HD1 LEU 50 -3.247 -8.045 -2.969 352 HD13 LEU 50 3HD1 LEU 50 -2.797 -7.090 -4.381 353 HD21 LEU 50 1HD2 LEU 50 -5.162 -8.756 -2.778 354 HD22 LEU 50 2HD2 LEU 50 -6.643 -7.966 -3.318 355 HD23 LEU 50 3HD2 LEU 50 -5.611 -8.794 -4.484 356 H THR 51 H THR 51 -8.533 -5.100 -1.910 357 HA THR 51 HA THR 51 -8.913 -2.311 -1.601 358 HB THR 51 HB THR 51 -10.388 -2.860 0.246 359 HG1 THR 51 HG1 THR 51 -9.766 -5.597 0.031 360 HG21 THR 51 1HG2 THR 51 -12.004 -3.961 -0.973 361 HG22 THR 51 2HG2 THR 51 -10.858 -5.120 -1.646 362 HG23 THR 51 3HG2 THR 51 -10.903 -3.467 -2.258 363 H VAL 52 H VAL 52 -8.326 -0.923 0.060 364 HA VAL 52 HA VAL 52 -5.819 -0.857 1.020 365 HB VAL 52 HB VAL 52 -8.276 0.074 2.509 366 HG11 VAL 52 1HG1 VAL 52 -6.426 -0.083 4.053 367 HG12 VAL 52 2HG1 VAL 52 -5.373 0.777 2.928 368 HG13 VAL 52 3HG1 VAL 52 -6.734 1.612 3.677 369 HG21 VAL 52 1HG2 VAL 52 -7.890 0.981 0.206 370 HG22 VAL 52 2HG2 VAL 52 -7.900 2.197 1.484 371 HG23 VAL 52 3HG2 VAL 52 -6.370 1.656 0.793 372 H LYS 53 H LYS 53 -8.371 -2.883 2.207 373 HA LYS 53 HA LYS 53 -6.916 -3.625 4.608 374 HB2 LYS 53 1HB LYS 53 -9.526 -3.446 4.224 375 HB3 LYS 53 2HB LYS 53 -9.335 -5.102 3.664 376 HG2 LYS 53 1HG LYS 53 -9.914 -5.236 5.941 377 HG3 LYS 53 2HG LYS 53 -8.186 -5.587 5.855 378 HD2 LYS 53 1HD LYS 53 -7.595 -3.551 6.789 379 HD3 LYS 53 2HD LYS 53 -9.122 -2.787 6.339 380 HE2 LYS 53 1HE LYS 53 -9.042 -3.156 8.734 381 HE3 LYS 53 2HE LYS 53 -10.286 -4.170 8.003 382 HZ1 LYS 53 1HZ LYS 53 -9.236 -5.653 9.369 383 HZ2 LYS 53 2HZ LYS 53 -7.711 -4.948 9.179 384 HZ3 LYS 53 3HZ LYS 53 -8.361 -5.900 7.942 385 H GLU 54 H GLU 54 -8.052 -5.231 1.639 386 HA GLU 54 HA GLU 54 -7.039 -7.754 2.046 387 HB2 GLU 54 1HB GLU 54 -7.587 -6.104 -0.364 388 HB3 GLU 54 2HB GLU 54 -6.613 -7.550 -0.590 389 HG2 GLU 54 1HG GLU 54 -9.145 -7.724 -0.910 390 HG3 GLU 54 2HG GLU 54 -8.335 -8.966 0.044 391 H PHE 55 H PHE 55 -5.360 -5.180 0.229 392 HA PHE 55 HA PHE 55 -2.975 -6.273 -0.296 393 HB2 PHE 55 1HB PHE 55 -3.589 -3.900 -0.738 394 HB3 PHE 55 2HB PHE 55 -3.262 -3.533 0.953 395 HD1 PHE 55 HD1 PHE 55 -1.467 -5.481 -1.678 396 HD2 PHE 55 HD2 PHE 55 -1.325 -2.338 1.189 397 HE1 PHE 55 HE1 PHE 55 0.900 -5.093 -2.226 398 HE2 PHE 55 HE2 PHE 55 1.042 -1.944 0.645 399 HZ PHE 55 HZ PHE 55 2.158 -3.322 -1.065 400 H LEU 56 H LEU 56 -3.947 -5.061 2.885 401 HA LEU 56 HA LEU 56 -1.497 -5.491 4.194 402 HB2 LEU 56 1HB LEU 56 -4.158 -5.757 5.557 403 HB3 LEU 56 2HB LEU 56 -2.654 -5.132 6.207 404 HG LEU 56 HG LEU 56 -4.436 -3.769 4.187 405 HD11 LEU 56 1HD1 LEU 56 -4.546 -3.860 6.983 406 HD12 LEU 56 2HD1 LEU 56 -3.846 -2.293 6.577 407 HD13 LEU 56 3HD1 LEU 56 -5.408 -2.762 5.906 408 HD21 LEU 56 1HD2 LEU 56 -1.633 -3.336 4.950 409 HD22 LEU 56 2HD2 LEU 56 -2.510 -2.835 3.505 410 HD23 LEU 56 3HD2 LEU 56 -2.651 -1.896 4.991 411 H ASN 57 H ASN 57 -4.423 -7.520 4.071 412 HA ASN 57 HA ASN 57 -3.584 -9.643 5.602 413 HB2 ASN 57 1HB ASN 57 -5.422 -9.426 3.247 414 HB3 ASN 57 2HB ASN 57 -5.034 -11.018 3.893 415 HD21 ASN 57 1HD2 ASN 57 -6.476 -7.915 4.603 416 HD22 ASN 57 2HD2 ASN 57 -7.414 -8.444 5.954 417 H GLU 58 H GLU 58 -2.824 -8.940 2.235 418 HA GLU 58 HA GLU 58 -1.646 -11.353 1.506 419 HB2 GLU 58 1HB GLU 58 -1.396 -8.532 0.600 420 HB3 GLU 58 2HB GLU 58 -0.149 -9.657 0.081 421 HG2 GLU 58 1HG GLU 58 -3.099 -9.795 -0.458 422 HG3 GLU 58 2HG GLU 58 -1.787 -9.600 -1.620 423 H GLY 59 H GLY 59 -0.279 -8.581 3.220 424 HA2 GLY 59 1HA GLY 59 2.343 -9.832 3.354 425 HA3 GLY 59 2HA GLY 59 1.900 -8.263 4.008 426 H GLY 60 H GLY 60 -0.390 -9.207 5.490 427 HA2 GLY 60 1HA GLY 60 -0.752 -10.899 7.244 428 HA3 GLY 60 2HA GLY 60 0.979 -10.835 7.543 429 H ARG 61 H ARG 61 -1.035 -8.019 6.953 430 HA ARG 61 HA ARG 61 -0.589 -7.208 9.751 431 HB2 ARG 61 1HB ARG 61 -0.430 -5.661 7.190 432 HB3 ARG 61 2HB ARG 61 -0.851 -4.833 8.683 433 HG2 ARG 61 1HG ARG 61 1.627 -6.504 8.352 434 HG3 ARG 61 2HG ARG 61 1.570 -4.762 8.071 435 HD2 ARG 61 1HD ARG 61 0.529 -4.710 10.468 436 HD3 ARG 61 2HD ARG 61 1.301 -6.288 10.624 437 HE ARG 61 HE ARG 61 3.014 -4.156 9.677 438 HH11 ARG 61 1HH1 ARG 61 1.832 -5.950 12.417 439 HH12 ARG 61 2HH1 ARG 61 3.178 -5.543 13.430 440 HH21 ARG 61 1HH2 ARG 61 4.791 -3.613 11.001 441 HH22 ARG 61 2HH2 ARG 61 4.860 -4.213 12.623 442 H ALA 62 H ALA 62 -2.886 -8.570 8.240 443 HA ALA 62 HA ALA 62 -5.084 -6.913 7.977 444 HB1 ALA 62 1HB ALA 62 -6.441 -8.849 8.151 445 HB2 ALA 62 2HB ALA 62 -4.930 -9.359 7.397 446 HB3 ALA 62 3HB ALA 62 -5.224 -9.701 9.102 447 H THR 63 H THR 63 -3.769 -8.415 10.893 448 HA THR 63 HA THR 63 -5.821 -7.796 12.675 449 HB THR 63 HB THR 63 -4.051 -9.284 13.353 450 HG1 THR 63 HG1 THR 63 -5.063 -7.573 14.878 451 HG21 THR 63 1HG2 THR 63 -1.808 -8.077 13.997 452 HG22 THR 63 2HG2 THR 63 -2.313 -6.930 12.756 453 HG23 THR 63 3HG2 THR 63 -2.083 -8.630 12.346 454 H SER 64 H SER 64 -3.171 -5.830 11.468 455 HA SER 64 HA SER 64 -3.431 -3.697 13.302 456 HB2 SER 64 1HB SER 64 -2.142 -4.056 10.631 457 HB3 SER 64 2HB SER 64 -2.363 -2.415 11.239 458 HG SER 64 HG SER 64 -1.409 -3.848 13.233 459 H LYS 65 H LYS 65 -4.531 -1.762 13.183 460 HA LYS 65 HA LYS 65 -6.939 -1.807 11.564 461 HB2 LYS 65 1HB LYS 65 -5.989 0.072 13.732 462 HB3 LYS 65 2HB LYS 65 -7.526 0.239 12.892 463 HG2 LYS 65 1HG LYS 65 -6.815 -2.301 14.306 464 HG3 LYS 65 2HG LYS 65 -7.489 -0.924 15.181 465 HD2 LYS 65 1HD LYS 65 -9.423 -0.930 13.660 466 HD3 LYS 65 2HD LYS 65 -8.753 -2.337 12.831 467 HE2 LYS 65 1HE LYS 65 -10.282 -3.273 14.309 468 HE3 LYS 65 2HE LYS 65 -8.750 -3.430 15.167 469 HZ1 LYS 65 1HZ LYS 65 -10.627 -1.175 15.593 470 HZ2 LYS 65 2HZ LYS 65 -9.281 -1.585 16.530 471 HZ3 LYS 65 3HZ LYS 65 -10.645 -2.586 16.527 472 H ASP 66 H ASP 66 -4.615 0.790 12.324 473 HA ASP 66 HA ASP 66 -5.275 2.353 10.079 474 HB2 ASP 66 1HB ASP 66 -2.739 2.340 11.730 475 HB3 ASP 66 2HB ASP 66 -3.204 3.604 10.595 476 H TRP 67 H TRP 67 -4.926 1.902 8.017 477 HA TRP 67 HA TRP 67 -2.964 -0.065 7.231 478 HB2 TRP 67 1HB TRP 67 -3.846 0.368 4.934 479 HB3 TRP 67 2HB TRP 67 -5.089 -0.094 6.093 480 HD1 TRP 67 HD1 TRP 67 -6.812 1.837 6.875 481 HE1 TRP 67 HE1 TRP 67 -7.535 4.023 5.725 482 HE3 TRP 67 HE3 TRP 67 -3.030 2.247 3.459 483 HZ2 TRP 67 HZ2 TRP 67 -6.623 5.700 3.645 484 HZ3 TRP 67 HZ3 TRP 67 -3.030 4.172 1.925 485 HH2 TRP 67 HH2 TRP 67 -4.790 5.861 2.018 486 H LYS 68 H LYS 68 -3.238 3.391 7.314 487 HA LYS 68 HA LYS 68 -1.228 4.003 5.412 488 HB2 LYS 68 1HB LYS 68 -2.153 5.633 7.786 489 HB3 LYS 68 2HB LYS 68 -1.239 6.239 6.411 490 HG2 LYS 68 1HG LYS 68 -3.047 6.118 4.983 491 HG3 LYS 68 2HG LYS 68 -3.881 4.920 5.975 492 HD2 LYS 68 1HD LYS 68 -4.466 6.552 7.602 493 HD3 LYS 68 2HD LYS 68 -3.390 7.751 6.879 494 HE2 LYS 68 1HE LYS 68 -5.617 6.579 5.267 495 HE3 LYS 68 2HE LYS 68 -5.958 7.856 6.433 496 HZ1 LYS 68 1HZ LYS 68 -5.255 9.334 4.967 497 HZ2 LYS 68 2HZ LYS 68 -4.927 8.109 3.847 498 HZ3 LYS 68 3HZ LYS 68 -3.725 8.613 4.926 499 H GLY 69 H GLY 69 -1.090 2.721 8.561 500 HA2 GLY 69 1HA GLY 69 1.622 3.687 9.057 501 HA3 GLY 69 2HA GLY 69 0.636 2.743 10.163 502 H VAL 70 H VAL 70 -0.061 0.601 8.555 503 HA VAL 70 HA VAL 70 2.267 -1.005 8.744 504 HB VAL 70 HB VAL 70 0.876 -2.747 7.594 505 HG11 VAL 70 1HG1 VAL 70 -0.373 -1.337 9.950 506 HG12 VAL 70 2HG1 VAL 70 -0.717 -2.995 9.450 507 HG13 VAL 70 3HG1 VAL 70 0.896 -2.559 10.015 508 HG21 VAL 70 1HG2 VAL 70 -0.590 -0.509 6.752 509 HG22 VAL 70 2HG2 VAL 70 -0.956 -2.208 6.455 510 HG23 VAL 70 3HG2 VAL 70 -1.640 -1.391 7.860 511 H ILE 71 H ILE 71 0.719 0.700 6.110 512 HA ILE 71 HA ILE 71 2.468 -0.524 4.131 513 HB ILE 71 HB ILE 71 0.321 1.577 3.826 514 HG12 ILE 71 1HG1 ILE 71 0.312 -1.304 2.917 515 HG13 ILE 71 2HG1 ILE 71 -0.385 -0.771 4.443 516 HG21 ILE 71 1HG2 ILE 71 0.707 0.583 1.342 517 HG22 ILE 71 2HG2 ILE 71 1.459 2.058 1.947 518 HG23 ILE 71 3HG2 ILE 71 2.353 0.538 1.974 519 HD11 ILE 71 1HD1 ILE 71 -2.026 0.528 3.331 520 HD12 ILE 71 2HD1 ILE 71 -1.230 0.312 1.772 521 HD13 ILE 71 3HD1 ILE 71 -2.005 -1.060 2.564 522 H ARG 72 H ARG 72 4.317 0.339 3.446 523 HA ARG 72 HA ARG 72 4.915 3.119 4.214 524 HB2 ARG 72 1HB ARG 72 6.902 0.912 3.659 525 HB3 ARG 72 2HB ARG 72 7.250 2.512 4.299 526 HG2 ARG 72 1HG ARG 72 5.633 1.778 6.214 527 HG3 ARG 72 2HG ARG 72 6.031 0.155 5.649 528 HD2 ARG 72 1HD ARG 72 8.423 0.675 5.918 529 HD3 ARG 72 2HD ARG 72 7.990 2.268 6.540 530 HE ARG 72 HE ARG 72 7.374 1.299 8.541 531 HH11 ARG 72 1HH1 ARG 72 8.000 -1.161 6.159 532 HH12 ARG 72 2HH1 ARG 72 7.986 -2.459 7.306 533 HH21 ARG 72 1HH2 ARG 72 7.354 -0.402 10.061 534 HH22 ARG 72 2HH2 ARG 72 7.618 -2.026 9.525 535 H CYS 73 H CYS 73 5.657 4.537 2.702 536 HA CYS 73 HA CYS 73 5.832 3.540 -0.065 537 HB2 CYS 73 1HB CYS 73 3.858 4.868 0.090 538 HB3 CYS 73 2HB CYS 73 4.691 6.121 1.002 539 HG CYS 73 HG CYS 73 5.349 5.387 -2.275 540 H ASN 74 H ASN 74 7.924 3.476 -0.585 541 HA ASN 74 HA ASN 74 10.055 4.147 -1.013 542 HB2 ASN 74 1HB ASN 74 8.892 6.895 -0.507 543 HB3 ASN 74 2HB ASN 74 10.495 6.593 -1.172 544 HD21 ASN 74 1HD2 ASN 74 8.590 8.092 -2.498 545 HD22 ASN 74 2HD2 ASN 74 8.097 7.246 -3.922 546 H GLY 75 H GLY 75 9.242 3.403 1.674 547 HA2 GLY 75 1HA GLY 75 10.589 3.101 3.571 548 HA3 GLY 75 2HA GLY 75 11.557 4.482 3.077 549 H GLU 76 H GLU 76 8.695 5.761 2.697 550 HA GLU 76 HA GLU 76 8.470 6.602 5.512 551 HB2 GLU 76 1HB GLU 76 8.101 8.130 2.946 552 HB3 GLU 76 2HB GLU 76 7.417 8.702 4.461 553 HG2 GLU 76 1HG GLU 76 9.390 9.826 4.476 554 HG3 GLU 76 2HG GLU 76 9.878 8.357 5.319 555 H THR 77 H THR 77 6.627 6.163 6.518 556 HA THR 77 HA THR 77 4.564 4.666 5.424 557 HB THR 77 HB THR 77 3.226 5.323 7.414 558 HG1 THR 77 HG1 THR 77 4.024 6.837 8.824 559 HG21 THR 77 1HG2 THR 77 5.635 4.857 8.861 560 HG22 THR 77 2HG2 THR 77 5.715 3.960 7.344 561 HG23 THR 77 3HG2 THR 77 4.361 3.710 8.446 562 H LEU 78 H LEU 78 2.574 5.118 4.564 563 HA LEU 78 HA LEU 78 2.193 7.261 2.924 564 HB2 LEU 78 1HB LEU 78 -0.017 5.833 4.403 565 HB3 LEU 78 2HB LEU 78 -0.173 6.713 2.894 566 HG LEU 78 HG LEU 78 1.469 4.205 3.254 567 HD11 LEU 78 1HD1 LEU 78 -1.059 4.360 1.675 568 HD12 LEU 78 2HD1 LEU 78 -0.265 2.960 2.395 569 HD13 LEU 78 3HD1 LEU 78 -1.126 4.108 3.419 570 HD21 LEU 78 1HD2 LEU 78 1.704 6.158 1.335 571 HD22 LEU 78 2HD2 LEU 78 2.216 4.479 1.169 572 HD23 LEU 78 3HD2 LEU 78 0.634 4.980 0.575 573 H ARG 79 H ARG 79 1.102 6.972 6.289 574 HA ARG 79 HA ARG 79 -0.269 9.388 6.484 575 HB2 ARG 79 1HB ARG 79 -0.363 7.647 8.207 576 HB3 ARG 79 2HB ARG 79 1.319 7.952 8.619 577 HG2 ARG 79 1HG ARG 79 0.476 10.384 9.045 578 HG3 ARG 79 2HG ARG 79 -1.098 9.599 9.183 579 HD2 ARG 79 1HD ARG 79 1.294 8.611 10.702 580 HD3 ARG 79 2HD ARG 79 0.284 9.916 11.320 581 HE ARG 79 HE ARG 79 -1.090 7.472 10.565 582 HH11 ARG 79 1HH1 ARG 79 0.316 9.398 13.101 583 HH12 ARG 79 2HH1 ARG 79 -0.560 8.604 14.368 584 HH21 ARG 79 1HH2 ARG 79 -2.248 6.418 12.224 585 HH22 ARG 79 2HH2 ARG 79 -2.017 6.909 13.868 586 H HIS 80 H HIS 80 3.165 8.675 6.953 587 HA HIS 80 HA HIS 80 3.964 11.193 7.885 588 HB2 HIS 80 1HB HIS 80 5.378 9.156 7.958 589 HB3 HIS 80 2HB HIS 80 5.571 9.252 6.210 590 HD1 HIS 80 HD1 HIS 80 7.096 10.333 9.304 591 HD2 HIS 80 HD2 HIS 80 6.935 11.748 5.401 592 HE1 HIS 80 HE1 HIS 80 8.995 11.969 9.102 593 HE2 HIS 80 HE2 HIS 80 8.825 12.875 6.759 594 H LEU 81 H LEU 81 3.801 9.901 4.582 595 HA LEU 81 HA LEU 81 4.861 12.126 3.259 596 HB2 LEU 81 1HB LEU 81 2.812 10.127 2.298 597 HB3 LEU 81 2HB LEU 81 3.670 11.254 1.265 598 HG LEU 81 HG LEU 81 5.026 9.128 2.922 599 HD11 LEU 81 1HD1 LEU 81 5.345 7.989 0.725 600 HD12 LEU 81 2HD1 LEU 81 3.681 8.003 1.307 601 HD13 LEU 81 3HD1 LEU 81 4.179 9.117 0.034 602 HD21 LEU 81 1HD2 LEU 81 6.344 11.164 2.293 603 HD22 LEU 81 2HD2 LEU 81 6.981 9.645 1.664 604 HD23 LEU 81 3HD2 LEU 81 6.084 10.731 0.603 605 H GLU 82 H GLU 82 1.522 11.337 4.140 606 HA GLU 82 HA GLU 82 0.244 13.459 2.860 607 HB2 GLU 82 1HB GLU 82 -0.926 11.535 3.881 608 HB3 GLU 82 2HB GLU 82 -0.524 12.155 5.476 609 HG2 GLU 82 1HG GLU 82 -2.029 13.867 3.552 610 HG3 GLU 82 2HG GLU 82 -2.865 12.607 4.459 611 H GLN 83 H GLN 83 1.745 13.283 6.055 612 HA GLN 83 HA GLN 83 0.928 15.759 7.045 613 HB2 GLN 83 1HB GLN 83 3.283 13.987 7.578 614 HB3 GLN 83 2HB GLN 83 3.212 15.583 8.314 615 HG2 GLN 83 1HG GLN 83 0.867 14.859 9.108 616 HG3 GLN 83 2HG GLN 83 1.428 13.227 8.747 617 HE21 GLN 83 1HE2 GLN 83 1.761 12.335 10.671 618 HE22 GLN 83 2HE2 GLN 83 2.751 12.995 11.923 619 H LYS 84 H LYS 84 3.658 14.901 4.981 620 HA LYS 84 HA LYS 84 4.725 17.573 4.962 621 HB2 LYS 84 1HB LYS 84 5.371 15.038 3.483 622 HB3 LYS 84 2HB LYS 84 6.108 16.566 3.019 623 HG2 LYS 84 1HG LYS 84 7.376 16.692 4.913 624 HG3 LYS 84 2HG LYS 84 6.233 15.751 5.874 625 HD2 LYS 84 1HD LYS 84 8.045 14.307 5.596 626 HD3 LYS 84 2HD LYS 84 6.900 13.782 4.359 627 HE2 LYS 84 1HE LYS 84 8.125 14.844 2.640 628 HE3 LYS 84 2HE LYS 84 9.096 15.758 3.794 629 HZ1 LYS 84 1HZ LYS 84 9.993 13.574 4.559 630 HZ2 LYS 84 2HZ LYS 84 10.430 14.000 2.982 631 HZ3 LYS 84 3HZ LYS 84 9.219 12.848 3.242 632 H GLY 85 H GLY 85 2.063 16.215 3.557 633 HA2 GLY 85 1HA GLY 85 0.580 17.196 2.063 634 HA3 GLY 85 2HA GLY 85 1.788 18.424 1.716 635 H LEU 86 H LEU 86 2.523 15.021 1.506 636 HA LEU 86 HA LEU 86 2.959 15.350 -1.370 637 HB2 LEU 86 1HB LEU 86 3.813 13.051 0.383 638 HB3 LEU 86 2HB LEU 86 4.371 13.412 -1.239 639 HG LEU 86 HG LEU 86 4.850 15.292 1.061 640 HD11 LEU 86 1HD1 LEU 86 7.181 13.801 0.315 641 HD12 LEU 86 2HD1 LEU 86 6.438 13.997 1.902 642 HD13 LEU 86 3HD1 LEU 86 5.901 12.703 0.832 643 HD21 LEU 86 1HD2 LEU 86 5.205 16.382 -0.984 644 HD22 LEU 86 2HD2 LEU 86 6.811 15.872 -0.467 645 HD23 LEU 86 3HD2 LEU 86 5.955 14.962 -1.711 646 H LEU 87 H LEU 87 1.393 13.156 0.936 647 HA LEU 87 HA LEU 87 -0.014 11.855 -1.282 648 HB2 LEU 87 1HB LEU 87 1.225 10.661 0.712 649 HB3 LEU 87 2HB LEU 87 -0.276 10.979 1.561 650 HG LEU 87 HG LEU 87 -0.284 9.576 -1.093 651 HD11 LEU 87 1HD1 LEU 87 0.477 8.494 1.575 652 HD12 LEU 87 2HD1 LEU 87 -0.485 7.493 0.487 653 HD13 LEU 87 3HD1 LEU 87 1.092 8.089 -0.027 654 HD21 LEU 87 1HD2 LEU 87 -2.220 8.616 0.709 655 HD22 LEU 87 2HD2 LEU 87 -2.233 10.374 0.842 656 HD23 LEU 87 3HD2 LEU 87 -2.471 9.607 -0.728 657 H PHE 88 H PHE 88 -1.838 12.853 -1.835 658 HA PHE 88 HA PHE 88 -3.302 14.669 -0.379 659 HB2 PHE 88 1HB PHE 88 -4.922 14.536 -2.037 660 HB3 PHE 88 2HB PHE 88 -3.506 13.900 -2.868 661 HD1 PHE 88 HD1 PHE 88 -3.254 11.200 -2.219 662 HD2 PHE 88 HD2 PHE 88 -6.843 13.451 -2.630 663 HE1 PHE 88 HE1 PHE 88 -4.486 9.135 -2.741 664 HE2 PHE 88 HE2 PHE 88 -8.080 11.390 -3.152 665 HZ PHE 88 HZ PHE 88 -6.902 9.228 -3.207 666 H SER 89 H SER 89 -3.496 11.165 -0.337 667 HA SER 89 HA SER 89 -4.675 9.696 0.946 668 HB2 SER 89 1HB SER 89 -4.794 10.209 3.312 669 HB3 SER 89 2HB SER 89 -3.266 10.816 2.675 670 HG SER 89 HG SER 89 -5.392 12.588 2.611 671 H GLY 90 H GLY 90 -6.267 11.135 -0.831 672 HA2 GLY 90 1HA GLY 90 -8.573 11.115 -1.203 673 HA3 GLY 90 2HA GLY 90 -8.827 10.925 0.526 674 HA PRO 91 HA PRO 91 -9.467 15.399 -1.012 675 HB2 PRO 91 1HB PRO 91 -12.180 15.425 -1.109 676 HB3 PRO 91 2HB PRO 91 -11.173 15.009 -2.501 677 HG2 PRO 91 1HG PRO 91 -12.604 13.202 -0.591 678 HG3 PRO 91 2HG PRO 91 -12.477 13.089 -2.356 679 HD2 PRO 91 1HD PRO 91 -10.957 11.594 -0.687 680 HD3 PRO 91 2HD PRO 91 -10.375 12.149 -2.270 681 H SER 92 H SER 92 -11.321 16.901 0.095 682 HA SER 92 HA SER 92 -11.849 17.959 2.043 683 HB2 SER 92 1HB SER 92 -13.400 15.875 1.974 684 HB3 SER 92 2HB SER 92 -12.365 15.259 3.262 685 HG SER 92 HG SER 92 -13.645 17.788 3.343 686 H SER 93 H SER 93 -9.089 17.258 1.696 687 HA SER 93 HA SER 93 -7.867 16.115 3.911 688 HB2 SER 93 1HB SER 93 -6.595 16.631 1.916 689 HB3 SER 93 2HB SER 93 -6.893 18.357 2.126 690 HG SER 93 HG SER 93 -5.623 16.875 4.154 691 H GLY 94 H GLY 94 -8.819 19.490 3.366 692 HA2 GLY 94 1HA GLY 94 -9.744 20.713 5.268 693 HA3 GLY 94 2HA GLY 94 -8.541 19.920 6.275 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 10.306 -12.582 -29.847 2 HA2 GLY 1 1HA GLY 1 12.561 -12.833 -28.571 3 HA3 GLY 1 2HA GLY 1 12.794 -11.188 -29.144 4 H SER 2 H SER 2 11.934 -12.912 -26.529 5 HA SER 2 HA SER 2 9.658 -11.502 -25.577 6 HB2 SER 2 1HB SER 2 10.152 -13.667 -24.646 7 HB3 SER 2 2HB SER 2 11.757 -13.139 -24.140 8 HG SER 2 HG SER 2 10.912 -12.314 -22.406 9 H SER 3 H SER 3 13.133 -11.228 -24.870 10 HA SER 3 HA SER 3 12.699 -8.828 -23.303 11 HB2 SER 3 1HB SER 3 14.443 -10.632 -22.790 12 HB3 SER 3 2HB SER 3 15.372 -9.959 -24.129 13 HG SER 3 HG SER 3 15.932 -9.059 -22.073 14 H GLY 4 H GLY 4 12.509 -6.898 -24.213 15 HA2 GLY 4 1HA GLY 4 14.307 -5.631 -25.835 16 HA3 GLY 4 2HA GLY 4 13.228 -6.446 -26.957 17 H SER 5 H SER 5 13.148 -4.305 -24.115 18 HA SER 5 HA SER 5 10.963 -2.827 -25.422 19 HB2 SER 5 1HB SER 5 11.157 -3.495 -22.474 20 HB3 SER 5 2HB SER 5 9.924 -2.471 -23.210 21 HG SER 5 HG SER 5 9.738 -4.568 -24.611 22 H SER 6 H SER 6 10.848 -0.589 -24.935 23 HA SER 6 HA SER 6 13.392 0.515 -23.941 24 HB2 SER 6 1HB SER 6 11.553 1.345 -26.151 25 HB3 SER 6 2HB SER 6 12.498 2.582 -25.321 26 HG SER 6 HG SER 6 14.224 0.747 -25.786 27 H GLY 7 H GLY 7 13.376 2.223 -22.501 28 HA2 GLY 7 1HA GLY 7 11.662 2.368 -20.453 29 HA3 GLY 7 2HA GLY 7 12.479 3.805 -21.051 30 H ASN 8 H ASN 8 9.521 2.465 -20.367 31 HA ASN 8 HA ASN 8 8.055 3.992 -22.375 32 HB2 ASN 8 1HB ASN 8 6.169 2.744 -21.807 33 HB3 ASN 8 2HB ASN 8 7.476 1.589 -21.563 34 HD21 ASN 8 1HD2 ASN 8 5.391 3.891 -19.904 35 HD22 ASN 8 2HD2 ASN 8 5.402 3.078 -18.379 36 H ASP 9 H ASP 9 6.815 5.762 -21.945 37 HA ASP 9 HA ASP 9 7.420 7.215 -19.535 38 HB2 ASP 9 1HB ASP 9 5.854 8.934 -20.594 39 HB3 ASP 9 2HB ASP 9 7.322 8.544 -21.487 40 H ALA 10 H ALA 10 6.275 7.227 -17.720 41 HA ALA 10 HA ALA 10 3.661 5.916 -17.694 42 HB1 ALA 10 1HB ALA 10 5.224 6.833 -15.295 43 HB2 ALA 10 2HB ALA 10 3.945 5.621 -15.371 44 HB3 ALA 10 3HB ALA 10 5.520 5.288 -16.091 45 H VAL 11 H VAL 11 2.053 7.285 -18.181 46 HA VAL 11 HA VAL 11 2.127 10.058 -17.362 47 HB VAL 11 HB VAL 11 -0.041 8.502 -18.780 48 HG11 VAL 11 1HG1 VAL 11 -0.530 11.042 -19.442 49 HG12 VAL 11 2HG1 VAL 11 -1.260 10.266 -18.035 50 HG13 VAL 11 3HG1 VAL 11 0.154 11.302 -17.838 51 HG21 VAL 11 1HG2 VAL 11 0.797 9.315 -20.803 52 HG22 VAL 11 2HG2 VAL 11 1.788 10.539 -20.009 53 HG23 VAL 11 3HG2 VAL 11 2.240 8.838 -19.910 54 H ASP 12 H ASP 12 0.351 7.128 -16.523 55 HA ASP 12 HA ASP 12 -1.321 8.509 -14.612 56 HB2 ASP 12 1HB ASP 12 -1.032 5.656 -15.500 57 HB3 ASP 12 2HB ASP 12 -1.929 6.040 -14.034 58 H PHE 13 H PHE 13 1.731 8.258 -14.412 59 HA PHE 13 HA PHE 13 2.200 6.710 -12.050 60 HB2 PHE 13 1HB PHE 13 4.033 7.022 -13.566 61 HB3 PHE 13 2HB PHE 13 3.865 8.773 -13.498 62 HD1 PHE 13 HD1 PHE 13 4.478 5.873 -11.236 63 HD2 PHE 13 HD2 PHE 13 5.286 9.954 -12.135 64 HE1 PHE 13 HE1 PHE 13 6.109 5.952 -9.395 65 HE2 PHE 13 HE2 PHE 13 6.919 10.039 -10.296 66 HZ PHE 13 HZ PHE 13 7.333 8.037 -8.924 67 H SER 14 H SER 14 1.345 10.016 -12.740 68 HA SER 14 HA SER 14 2.058 11.169 -10.270 69 HB2 SER 14 1HB SER 14 1.598 12.835 -11.765 70 HB3 SER 14 2HB SER 14 0.316 11.917 -12.555 71 HG SER 14 HG SER 14 0.115 13.796 -10.649 72 HA PRO 15 HA PRO 15 -2.520 10.394 -8.929 73 HB2 PRO 15 1HB PRO 15 -4.008 8.742 -10.487 74 HB3 PRO 15 2HB PRO 15 -3.927 10.489 -10.743 75 HG2 PRO 15 1HG PRO 15 -2.461 8.297 -12.160 76 HG3 PRO 15 2HG PRO 15 -3.239 9.740 -12.835 77 HD2 PRO 15 1HD PRO 15 -0.566 9.577 -12.437 78 HD3 PRO 15 2HD PRO 15 -1.460 11.104 -12.297 79 H THR 16 H THR 16 -0.114 8.304 -9.662 80 HA THR 16 HA THR 16 -1.237 6.213 -7.921 81 HB THR 16 HB THR 16 0.021 4.509 -9.189 82 HG1 THR 16 HG1 THR 16 1.424 6.338 -10.128 83 HG21 THR 16 1HG2 THR 16 -1.503 4.309 -10.999 84 HG22 THR 16 2HG2 THR 16 -1.765 6.052 -11.061 85 HG23 THR 16 3HG2 THR 16 -2.381 5.115 -9.701 86 H LEU 17 H LEU 17 0.152 5.304 -6.432 87 HA LEU 17 HA LEU 17 2.905 6.329 -6.362 88 HB2 LEU 17 1HB LEU 17 1.140 6.131 -3.925 89 HB3 LEU 17 2HB LEU 17 2.760 6.798 -4.012 90 HG LEU 17 HG LEU 17 0.358 7.990 -5.399 91 HD11 LEU 17 1HD1 LEU 17 1.593 9.439 -3.172 92 HD12 LEU 17 2HD1 LEU 17 -0.107 9.227 -3.591 93 HD13 LEU 17 3HD1 LEU 17 0.747 7.961 -2.710 94 HD21 LEU 17 1HD2 LEU 17 1.794 9.328 -6.434 95 HD22 LEU 17 2HD2 LEU 17 2.526 9.787 -4.897 96 HD23 LEU 17 3HD2 LEU 17 3.121 8.375 -5.769 97 HA PRO 18 HA PRO 18 3.882 2.073 -5.723 98 HB2 PRO 18 1HB PRO 18 6.438 2.395 -4.868 99 HB3 PRO 18 2HB PRO 18 5.959 2.592 -6.558 100 HG2 PRO 18 1HG PRO 18 6.422 4.681 -4.465 101 HG3 PRO 18 2HG PRO 18 6.924 4.671 -6.166 102 HD2 PRO 18 1HD PRO 18 4.765 6.052 -5.293 103 HD3 PRO 18 2HD PRO 18 4.847 5.333 -6.913 104 H VAL 19 H VAL 19 2.883 1.114 -4.046 105 HA VAL 19 HA VAL 19 3.732 1.844 -1.320 106 HB VAL 19 HB VAL 19 1.603 1.002 -0.510 107 HG11 VAL 19 1HG1 VAL 19 1.036 2.838 -2.826 108 HG12 VAL 19 2HG1 VAL 19 0.204 2.755 -1.271 109 HG13 VAL 19 3HG1 VAL 19 1.857 3.367 -1.357 110 HG21 VAL 19 1HG2 VAL 19 1.080 0.355 -3.405 111 HG22 VAL 19 2HG2 VAL 19 1.147 -0.767 -2.047 112 HG23 VAL 19 3HG2 VAL 19 -0.175 0.393 -2.167 113 H THR 20 H THR 20 3.951 0.139 0.230 114 HA THR 20 HA THR 20 4.059 -2.594 -0.753 115 HB THR 20 HB THR 20 6.392 -2.905 0.133 116 HG1 THR 20 HG1 THR 20 7.589 -0.781 0.062 117 HG21 THR 20 1HG2 THR 20 6.131 -0.980 -2.180 118 HG22 THR 20 2HG2 THR 20 5.911 -2.727 -2.279 119 HG23 THR 20 3HG2 THR 20 7.489 -2.058 -1.865 120 H CYS 21 H CYS 21 3.452 -3.989 0.782 121 HA CYS 21 HA CYS 21 3.549 -3.090 3.586 122 HB2 CYS 21 1HB CYS 21 1.243 -3.086 2.676 123 HB3 CYS 21 2HB CYS 21 1.406 -4.798 2.304 124 HG CYS 21 HG CYS 21 2.000 -3.974 5.508 125 H GLY 22 H GLY 22 5.238 -4.200 4.397 126 HA2 GLY 22 1HA GLY 22 6.501 -5.979 5.108 127 HA3 GLY 22 2HA GLY 22 5.022 -6.922 4.994 128 H LYS 23 H LYS 23 4.936 -8.495 3.524 129 HA LYS 23 HA LYS 23 7.149 -8.697 1.614 130 HB2 LYS 23 1HB LYS 23 6.532 -11.061 1.429 131 HB3 LYS 23 2HB LYS 23 6.813 -10.608 3.105 132 HG2 LYS 23 1HG LYS 23 4.349 -10.376 3.385 133 HG3 LYS 23 2HG LYS 23 4.157 -11.025 1.755 134 HD2 LYS 23 1HD LYS 23 5.776 -12.523 3.774 135 HD3 LYS 23 2HD LYS 23 4.014 -12.617 3.816 136 HE2 LYS 23 1HE LYS 23 3.936 -13.495 1.600 137 HE3 LYS 23 2HE LYS 23 5.651 -13.172 1.348 138 HZ1 LYS 23 1HZ LYS 23 4.772 -14.982 3.503 139 HZ2 LYS 23 2HZ LYS 23 6.264 -14.918 2.710 140 HZ3 LYS 23 3HZ LYS 23 4.911 -15.549 1.915 141 H ALA 24 H ALA 24 4.500 -7.124 1.424 142 HA ALA 24 HA ALA 24 3.654 -8.219 -1.180 143 HB1 ALA 24 1HB ALA 24 1.518 -7.965 -0.607 144 HB2 ALA 24 2HB ALA 24 2.086 -7.705 1.043 145 HB3 ALA 24 3HB ALA 24 1.795 -6.326 -0.016 146 H LYS 25 H LYS 25 3.358 -6.801 -2.906 147 HA LYS 25 HA LYS 25 4.168 -4.012 -2.517 148 HB2 LYS 25 1HB LYS 25 5.326 -5.802 -4.662 149 HB3 LYS 25 2HB LYS 25 5.687 -4.097 -4.422 150 HG2 LYS 25 1HG LYS 25 6.958 -4.494 -2.536 151 HG3 LYS 25 2HG LYS 25 6.193 -6.053 -2.223 152 HD2 LYS 25 1HD LYS 25 8.340 -6.579 -3.021 153 HD3 LYS 25 2HD LYS 25 7.268 -6.831 -4.401 154 HE2 LYS 25 1HE LYS 25 9.112 -5.660 -5.264 155 HE3 LYS 25 2HE LYS 25 7.846 -4.447 -5.080 156 HZ1 LYS 25 1HZ LYS 25 9.836 -4.892 -2.947 157 HZ2 LYS 25 2HZ LYS 25 8.891 -3.521 -3.246 158 HZ3 LYS 25 3HZ LYS 25 10.191 -3.891 -4.265 159 H GLY 26 H GLY 26 3.072 -2.577 -3.755 160 HA2 GLY 26 1HA GLY 26 1.720 -3.404 -6.174 161 HA3 GLY 26 2HA GLY 26 0.640 -3.048 -4.834 162 H THR 27 H THR 27 -0.286 -1.303 -5.945 163 HA THR 27 HA THR 27 1.230 1.161 -5.694 164 HB THR 27 HB THR 27 -0.039 0.451 -8.345 165 HG1 THR 27 HG1 THR 27 2.443 0.745 -8.800 166 HG21 THR 27 1HG2 THR 27 0.559 2.535 -9.098 167 HG22 THR 27 2HG2 THR 27 1.884 2.691 -7.944 168 HG23 THR 27 3HG2 THR 27 0.218 2.910 -7.409 169 H LEU 28 H LEU 28 -0.035 2.702 -4.884 170 HA LEU 28 HA LEU 28 -2.901 2.236 -4.732 171 HB2 LEU 28 1HB LEU 28 -1.954 2.878 -2.674 172 HB3 LEU 28 2HB LEU 28 -1.022 4.170 -3.408 173 HG LEU 28 HG LEU 28 -3.474 5.081 -3.967 174 HD11 LEU 28 1HD1 LEU 28 -3.928 2.935 -2.126 175 HD12 LEU 28 2HD1 LEU 28 -4.379 4.469 -1.383 176 HD13 LEU 28 3HD1 LEU 28 -5.094 3.991 -2.922 177 HD21 LEU 28 1HD2 LEU 28 -3.271 6.509 -2.013 178 HD22 LEU 28 2HD2 LEU 28 -2.112 5.392 -1.295 179 HD23 LEU 28 3HD2 LEU 28 -1.694 6.269 -2.766 180 H PHE 29 H PHE 29 -4.438 3.395 -5.757 181 HA PHE 29 HA PHE 29 -3.513 5.517 -7.579 182 HB2 PHE 29 1HB PHE 29 -5.836 3.599 -7.841 183 HB3 PHE 29 2HB PHE 29 -5.548 4.951 -8.932 184 HD1 PHE 29 HD2 PHE 29 -3.484 2.212 -7.449 185 HD2 PHE 29 HD1 PHE 29 -4.666 4.332 -10.946 186 HE1 PHE 29 HE2 PHE 29 -2.002 0.792 -8.807 187 HE2 PHE 29 HE1 PHE 29 -3.186 2.915 -12.309 188 HZ PHE 29 HZ PHE 29 -1.851 1.143 -11.240 189 H GLN 30 H GLN 30 -3.867 7.381 -6.510 190 HA GLN 30 HA GLN 30 -5.682 8.006 -4.586 191 HB2 GLN 30 1HB GLN 30 -5.189 10.027 -6.736 192 HB3 GLN 30 2HB GLN 30 -5.233 10.244 -4.991 193 HG2 GLN 30 1HG GLN 30 -3.099 8.848 -4.941 194 HG3 GLN 30 2HG GLN 30 -3.029 9.120 -6.681 195 HE21 GLN 30 1HE2 GLN 30 -2.455 10.416 -3.585 196 HE22 GLN 30 2HE2 GLN 30 -1.898 11.974 -4.083 197 H GLU 31 H GLU 31 -6.231 8.079 -8.083 198 HA GLU 31 HA GLU 31 -8.788 9.188 -8.085 199 HB2 GLU 31 1HB GLU 31 -9.066 8.169 -10.282 200 HB3 GLU 31 2HB GLU 31 -7.455 8.853 -10.120 201 HG2 GLU 31 1HG GLU 31 -6.559 6.621 -9.666 202 HG3 GLU 31 2HG GLU 31 -8.175 5.942 -9.856 203 H LYS 32 H LYS 32 -7.775 5.806 -7.789 204 HA LYS 32 HA LYS 32 -10.505 4.887 -7.523 205 HB2 LYS 32 1HB LYS 32 -7.814 3.603 -7.620 206 HB3 LYS 32 2HB LYS 32 -9.130 2.710 -6.870 207 HG2 LYS 32 1HG LYS 32 -10.310 2.525 -8.844 208 HG3 LYS 32 2HG LYS 32 -9.502 3.914 -9.577 209 HD2 LYS 32 1HD LYS 32 -7.403 2.588 -9.644 210 HD3 LYS 32 2HD LYS 32 -8.306 1.195 -9.043 211 HE2 LYS 32 1HE LYS 32 -8.125 1.008 -11.424 212 HE3 LYS 32 2HE LYS 32 -9.799 1.390 -11.024 213 HZ1 LYS 32 1HZ LYS 32 -9.135 3.786 -11.453 214 HZ2 LYS 32 2HZ LYS 32 -9.270 2.778 -12.804 215 HZ3 LYS 32 3HZ LYS 32 -7.743 3.166 -12.189 216 H LEU 33 H LEU 33 -8.229 6.258 -5.481 217 HA LEU 33 HA LEU 33 -9.023 4.813 -3.095 218 HB2 LEU 33 1HB LEU 33 -6.694 5.639 -3.465 219 HB3 LEU 33 2HB LEU 33 -7.301 7.279 -3.339 220 HG LEU 33 HG LEU 33 -8.089 6.723 -1.017 221 HD11 LEU 33 1HD1 LEU 33 -7.125 4.771 0.076 222 HD12 LEU 33 2HD1 LEU 33 -8.167 4.296 -1.265 223 HD13 LEU 33 3HD1 LEU 33 -6.414 4.255 -1.453 224 HD21 LEU 33 1HD2 LEU 33 -5.129 6.314 -1.326 225 HD22 LEU 33 2HD2 LEU 33 -5.903 7.865 -1.645 226 HD23 LEU 33 3HD2 LEU 33 -5.997 7.147 -0.037 227 H LYS 34 H LYS 34 -9.753 7.801 -4.728 228 HA LYS 34 HA LYS 34 -10.928 9.235 -2.635 229 HB2 LYS 34 1HB LYS 34 -11.518 9.231 -5.597 230 HB3 LYS 34 2HB LYS 34 -12.222 10.382 -4.470 231 HG2 LYS 34 1HG LYS 34 -9.770 10.899 -3.835 232 HG3 LYS 34 2HG LYS 34 -9.385 10.115 -5.369 233 HD2 LYS 34 1HD LYS 34 -10.476 11.738 -6.618 234 HD3 LYS 34 2HD LYS 34 -11.467 12.263 -5.255 235 HE2 LYS 34 1HE LYS 34 -8.518 12.580 -5.052 236 HE3 LYS 34 2HE LYS 34 -9.399 13.679 -6.112 237 HZ1 LYS 34 1HZ LYS 34 -9.050 14.287 -3.637 238 HZ2 LYS 34 2HZ LYS 34 -10.349 13.239 -3.364 239 HZ3 LYS 34 3HZ LYS 34 -10.548 14.590 -4.362 240 H GLN 35 H GLN 35 -12.314 6.860 -4.865 241 HA GLN 35 HA GLN 35 -14.988 7.075 -4.198 242 HB2 GLN 35 1HB GLN 35 -13.496 4.517 -4.808 243 HB3 GLN 35 2HB GLN 35 -15.230 4.771 -4.961 244 HG2 GLN 35 1HG GLN 35 -13.010 5.750 -6.681 245 HG3 GLN 35 2HG GLN 35 -14.540 4.999 -7.131 246 HE21 GLN 35 1HE2 GLN 35 -12.847 7.877 -6.837 247 HE22 GLN 35 2HE2 GLN 35 -14.163 8.975 -7.054 248 H GLY 36 H GLY 36 -12.459 5.161 -2.603 249 HA2 GLY 36 1HA GLY 36 -13.252 5.440 -0.021 250 HA3 GLY 36 2HA GLY 36 -14.282 4.145 -0.614 251 H ALA 37 H ALA 37 -11.649 4.626 1.143 252 HA ALA 37 HA ALA 37 -9.545 3.164 0.227 253 HB1 ALA 37 1HB ALA 37 -9.393 2.366 2.723 254 HB2 ALA 37 2HB ALA 37 -9.158 4.063 2.300 255 HB3 ALA 37 3HB ALA 37 -10.707 3.522 2.946 256 H SER 38 H SER 38 -12.644 1.951 1.309 257 HA SER 38 HA SER 38 -11.968 -0.759 1.609 258 HB2 SER 38 1HB SER 38 -14.611 0.470 0.790 259 HB3 SER 38 2HB SER 38 -14.388 -1.190 1.342 260 HG SER 38 HG SER 38 -14.603 -0.416 3.273 261 H LYS 39 H LYS 39 -12.917 1.129 -1.206 262 HA LYS 39 HA LYS 39 -13.266 -1.022 -2.995 263 HB2 LYS 39 1HB LYS 39 -12.565 1.879 -3.440 264 HB3 LYS 39 2HB LYS 39 -12.843 0.751 -4.761 265 HG2 LYS 39 1HG LYS 39 -15.085 0.321 -3.396 266 HG3 LYS 39 2HG LYS 39 -14.761 1.975 -2.871 267 HD2 LYS 39 1HD LYS 39 -14.506 2.575 -5.307 268 HD3 LYS 39 2HD LYS 39 -15.126 0.967 -5.687 269 HE2 LYS 39 1HE LYS 39 -17.061 1.677 -4.064 270 HE3 LYS 39 2HE LYS 39 -16.518 3.306 -4.463 271 HZ1 LYS 39 1HZ LYS 39 -18.332 2.317 -5.898 272 HZ2 LYS 39 2HZ LYS 39 -17.142 1.309 -6.554 273 HZ3 LYS 39 3HZ LYS 39 -17.010 2.988 -6.713 274 H LYS 40 H LYS 40 -11.889 -1.871 -4.582 275 HA LYS 40 HA LYS 40 -9.202 -2.254 -3.770 276 HB2 LYS 40 1HB LYS 40 -10.329 -2.847 -6.505 277 HB3 LYS 40 2HB LYS 40 -8.971 -3.632 -5.709 278 HG2 LYS 40 1HG LYS 40 -11.648 -3.753 -4.416 279 HG3 LYS 40 2HG LYS 40 -11.328 -4.774 -5.820 280 HD2 LYS 40 1HD LYS 40 -9.273 -5.594 -4.639 281 HD3 LYS 40 2HD LYS 40 -9.824 -4.719 -3.208 282 HE2 LYS 40 1HE LYS 40 -11.242 -6.972 -4.623 283 HE3 LYS 40 2HE LYS 40 -10.489 -7.027 -3.030 284 HZ1 LYS 40 1HZ LYS 40 -13.109 -6.369 -3.628 285 HZ2 LYS 40 2HZ LYS 40 -12.375 -4.925 -3.144 286 HZ3 LYS 40 3HZ LYS 40 -12.346 -6.272 -2.121 287 H CYS 41 H CYS 41 -7.800 -0.606 -3.815 288 HA CYS 41 HA CYS 41 -7.626 0.982 -6.292 289 HB2 CYS 41 1HB CYS 41 -6.644 2.786 -4.862 290 HB3 CYS 41 2HB CYS 41 -8.323 2.415 -4.490 291 HG CYS 41 HG CYS 41 -7.948 2.014 -1.989 292 H ILE 42 H ILE 42 -5.966 -0.972 -3.976 293 HA ILE 42 HA ILE 42 -3.330 -0.273 -4.967 294 HB ILE 42 HB ILE 42 -4.168 -2.391 -2.984 295 HG12 ILE 42 1HG1 ILE 42 -2.897 0.319 -2.538 296 HG13 ILE 42 2HG1 ILE 42 -4.594 -0.057 -2.257 297 HG21 ILE 42 1HG2 ILE 42 -1.945 -2.862 -2.577 298 HG22 ILE 42 2HG2 ILE 42 -1.951 -2.625 -4.323 299 HG23 ILE 42 3HG2 ILE 42 -1.388 -1.335 -3.261 300 HD11 ILE 42 1HD1 ILE 42 -2.699 -0.120 -0.355 301 HD12 ILE 42 2HD1 ILE 42 -4.172 -1.089 -0.310 302 HD13 ILE 42 3HD1 ILE 42 -2.666 -1.801 -0.887 303 H GLN 43 H GLN 43 -2.728 -1.053 -6.877 304 HA GLN 43 HA GLN 43 -3.652 -3.707 -7.704 305 HB2 GLN 43 1HB GLN 43 -3.792 -1.531 -9.149 306 HB3 GLN 43 2HB GLN 43 -2.094 -1.856 -9.472 307 HG2 GLN 43 1HG GLN 43 -2.762 -4.133 -10.251 308 HG3 GLN 43 2HG GLN 43 -4.443 -3.624 -10.100 309 HE21 GLN 43 1HE2 GLN 43 -5.041 -3.629 -12.190 310 HE22 GLN 43 2HE2 GLN 43 -4.331 -2.637 -13.414 311 H ASN 44 H ASN 44 -2.355 -5.386 -7.422 312 HA ASN 44 HA ASN 44 0.420 -5.023 -6.743 313 HB2 ASN 44 1HB ASN 44 0.418 -7.259 -6.100 314 HB3 ASN 44 2HB ASN 44 -1.260 -6.798 -5.831 315 HD21 ASN 44 1HD2 ASN 44 -2.647 -7.092 -7.882 316 HD22 ASN 44 2HD2 ASN 44 -2.454 -8.609 -8.688 317 H GLU 45 H GLU 45 1.941 -6.801 -7.806 318 HA GLU 45 HA GLU 45 2.510 -5.947 -10.390 319 HB2 GLU 45 1HB GLU 45 3.280 -8.603 -9.167 320 HB3 GLU 45 2HB GLU 45 4.086 -7.796 -10.505 321 HG2 GLU 45 1HG GLU 45 3.847 -6.335 -7.933 322 HG3 GLU 45 2HG GLU 45 5.002 -7.663 -8.038 323 H ALA 46 H ALA 46 0.461 -8.547 -9.268 324 HA ALA 46 HA ALA 46 0.166 -9.798 -11.827 325 HB1 ALA 46 1HB ALA 46 -0.342 -10.584 -9.276 326 HB2 ALA 46 2HB ALA 46 -1.968 -10.238 -9.866 327 HB3 ALA 46 3HB ALA 46 -0.949 -11.398 -10.718 328 H GLY 47 H GLY 47 -0.829 -6.865 -10.768 329 HA2 GLY 47 1HA GLY 47 -2.221 -5.341 -11.825 330 HA3 GLY 47 2HA GLY 47 -2.787 -6.633 -12.873 331 H ASP 48 H ASP 48 -3.282 -8.186 -10.246 332 HA ASP 48 HA ASP 48 -6.052 -7.614 -10.089 333 HB2 ASP 48 1HB ASP 48 -4.240 -9.293 -8.349 334 HB3 ASP 48 2HB ASP 48 -5.984 -9.201 -8.125 335 H TRP 49 H TRP 49 -6.920 -5.896 -9.152 336 HA TRP 49 HA TRP 49 -5.548 -4.218 -7.341 337 HB2 TRP 49 1HB TRP 49 -8.518 -4.375 -7.902 338 HB3 TRP 49 2HB TRP 49 -7.687 -3.038 -7.112 339 HD1 TRP 49 HD1 TRP 49 -7.928 -4.752 -10.561 340 HE1 TRP 49 HE1 TRP 49 -7.278 -3.029 -12.360 341 HE3 TRP 49 HE3 TRP 49 -6.495 -0.902 -7.518 342 HZ2 TRP 49 HZ2 TRP 49 -6.287 -0.389 -12.473 343 HZ3 TRP 49 HZ3 TRP 49 -5.708 1.188 -8.551 344 HH2 TRP 49 HH2 TRP 49 -5.606 1.437 -10.977 345 H LEU 50 H LEU 50 -6.040 -3.766 -5.130 346 HA LEU 50 HA LEU 50 -7.503 -5.842 -3.675 347 HB2 LEU 50 1HB LEU 50 -4.713 -4.968 -2.924 348 HB3 LEU 50 2HB LEU 50 -5.704 -6.134 -2.069 349 HG LEU 50 HG LEU 50 -5.019 -6.659 -4.927 350 HD11 LEU 50 1HD1 LEU 50 -2.841 -6.896 -4.594 351 HD12 LEU 50 2HD1 LEU 50 -3.041 -6.152 -3.007 352 HD13 LEU 50 3HD1 LEU 50 -3.125 -7.905 -3.176 353 HD21 LEU 50 1HD2 LEU 50 -5.207 -8.533 -2.582 354 HD22 LEU 50 2HD2 LEU 50 -6.604 -8.057 -3.546 355 HD23 LEU 50 3HD2 LEU 50 -5.268 -8.925 -4.300 356 H THR 51 H THR 51 -8.484 -5.146 -1.818 357 HA THR 51 HA THR 51 -8.928 -2.355 -1.542 358 HB THR 51 HB THR 51 -10.305 -2.925 0.391 359 HG1 THR 51 HG1 THR 51 -9.691 -4.597 1.523 360 HG21 THR 51 1HG2 THR 51 -11.972 -4.029 -0.766 361 HG22 THR 51 2HG2 THR 51 -10.843 -5.141 -1.541 362 HG23 THR 51 3HG2 THR 51 -10.949 -3.469 -2.089 363 H VAL 52 H VAL 52 -8.250 -0.918 0.014 364 HA VAL 52 HA VAL 52 -5.728 -0.824 0.908 365 HB VAL 52 HB VAL 52 -8.115 0.129 2.497 366 HG11 VAL 52 1HG1 VAL 52 -5.838 1.790 2.821 367 HG12 VAL 52 2HG1 VAL 52 -6.692 0.844 4.042 368 HG13 VAL 52 3HG1 VAL 52 -5.350 0.128 3.149 369 HG21 VAL 52 1HG2 VAL 52 -6.398 1.778 0.669 370 HG22 VAL 52 2HG2 VAL 52 -7.805 0.899 0.071 371 HG23 VAL 52 3HG2 VAL 52 -8.002 2.142 1.307 372 H LYS 53 H LYS 53 -8.262 -2.776 2.276 373 HA LYS 53 HA LYS 53 -6.740 -3.454 4.644 374 HB2 LYS 53 1HB LYS 53 -9.294 -3.287 4.488 375 HB3 LYS 53 2HB LYS 53 -9.229 -4.843 3.670 376 HG2 LYS 53 1HG LYS 53 -7.992 -5.718 5.683 377 HG3 LYS 53 2HG LYS 53 -8.405 -4.202 6.487 378 HD2 LYS 53 1HD LYS 53 -10.159 -5.517 7.159 379 HD3 LYS 53 2HD LYS 53 -10.834 -4.821 5.684 380 HE2 LYS 53 1HE LYS 53 -10.140 -6.828 4.444 381 HE3 LYS 53 2HE LYS 53 -9.512 -7.522 5.938 382 HZ1 LYS 53 1HZ LYS 53 -11.522 -8.303 6.364 383 HZ2 LYS 53 2HZ LYS 53 -12.134 -7.603 4.951 384 HZ3 LYS 53 3HZ LYS 53 -12.149 -6.731 6.401 385 H GLU 54 H GLU 54 -7.854 -5.131 1.710 386 HA GLU 54 HA GLU 54 -6.817 -7.639 2.177 387 HB2 GLU 54 1HB GLU 54 -7.356 -6.049 -0.285 388 HB3 GLU 54 2HB GLU 54 -6.421 -7.528 -0.452 389 HG2 GLU 54 1HG GLU 54 -8.951 -7.652 1.090 390 HG3 GLU 54 2HG GLU 54 -9.051 -7.497 -0.663 391 H PHE 55 H PHE 55 -5.179 -5.042 0.357 392 HA PHE 55 HA PHE 55 -2.777 -6.134 -0.170 393 HB2 PHE 55 1HB PHE 55 -3.475 -3.764 -0.638 394 HB3 PHE 55 2HB PHE 55 -3.045 -3.370 1.024 395 HD1 PHE 55 HD1 PHE 55 -1.457 -5.273 -1.771 396 HD2 PHE 55 HD2 PHE 55 -1.055 -2.264 1.211 397 HE1 PHE 55 HE1 PHE 55 0.873 -4.897 -2.469 398 HE2 PHE 55 HE2 PHE 55 1.275 -1.882 0.517 399 HZ PHE 55 HZ PHE 55 2.241 -3.199 -1.325 400 H LEU 56 H LEU 56 -3.800 -4.905 2.981 401 HA LEU 56 HA LEU 56 -1.359 -5.176 4.326 402 HB2 LEU 56 1HB LEU 56 -4.028 -5.644 5.626 403 HB3 LEU 56 2HB LEU 56 -2.580 -4.951 6.333 404 HG LEU 56 HG LEU 56 -4.368 -3.642 4.282 405 HD11 LEU 56 1HD1 LEU 56 -4.723 -3.854 6.994 406 HD12 LEU 56 2HD1 LEU 56 -3.894 -2.307 6.827 407 HD13 LEU 56 3HD1 LEU 56 -5.401 -2.597 5.960 408 HD21 LEU 56 1HD2 LEU 56 -1.633 -3.232 4.724 409 HD22 LEU 56 2HD2 LEU 56 -2.744 -2.201 3.823 410 HD23 LEU 56 3HD2 LEU 56 -2.459 -1.903 5.537 411 H ASN 57 H ASN 57 -4.141 -7.410 4.288 412 HA ASN 57 HA ASN 57 -3.147 -9.468 5.778 413 HB2 ASN 57 1HB ASN 57 -5.399 -9.181 4.413 414 HB3 ASN 57 2HB ASN 57 -4.551 -10.186 3.242 415 HD21 ASN 57 1HD2 ASN 57 -6.861 -10.541 5.221 416 HD22 ASN 57 2HD2 ASN 57 -6.497 -12.042 5.994 417 H GLU 58 H GLU 58 -2.472 -8.787 2.375 418 HA GLU 58 HA GLU 58 -1.067 -11.084 1.708 419 HB2 GLU 58 1HB GLU 58 -1.086 -8.277 0.733 420 HB3 GLU 58 2HB GLU 58 0.270 -9.283 0.244 421 HG2 GLU 58 1HG GLU 58 -2.609 -10.053 -0.148 422 HG3 GLU 58 2HG GLU 58 -1.633 -9.228 -1.362 423 H GLY 59 H GLY 59 -0.034 -8.256 3.511 424 HA2 GLY 59 1HA GLY 59 2.726 -9.196 3.596 425 HA3 GLY 59 2HA GLY 59 2.118 -7.690 4.266 426 H GLY 60 H GLY 60 -0.054 -8.872 5.740 427 HA2 GLY 60 1HA GLY 60 -0.230 -10.626 7.469 428 HA3 GLY 60 2HA GLY 60 1.479 -10.364 7.780 429 H ARG 61 H ARG 61 -0.712 -7.718 7.167 430 HA ARG 61 HA ARG 61 -0.476 -6.946 10.002 431 HB2 ARG 61 1HB ARG 61 -0.182 -5.388 7.483 432 HB3 ARG 61 2HB ARG 61 -0.926 -4.579 8.856 433 HG2 ARG 61 1HG ARG 61 1.299 -4.033 9.100 434 HG3 ARG 61 2HG ARG 61 1.136 -5.429 10.166 435 HD2 ARG 61 1HD ARG 61 1.811 -6.755 8.003 436 HD3 ARG 61 2HD ARG 61 2.489 -5.202 7.519 437 HE ARG 61 HE ARG 61 3.592 -5.432 9.891 438 HH11 ARG 61 1HH1 ARG 61 3.124 -7.890 7.470 439 HH12 ARG 61 2HH1 ARG 61 4.517 -8.805 7.943 440 HH21 ARG 61 1HH2 ARG 61 5.429 -6.628 10.523 441 HH22 ARG 61 2HH2 ARG 61 5.826 -8.087 9.680 442 H ALA 62 H ALA 62 -2.592 -8.421 8.320 443 HA ALA 62 HA ALA 62 -4.886 -6.962 7.949 444 HB1 ALA 62 1HB ALA 62 -6.088 -8.974 8.046 445 HB2 ALA 62 2HB ALA 62 -4.473 -9.438 7.508 446 HB3 ALA 62 3HB ALA 62 -4.952 -9.698 9.185 447 H THR 63 H THR 63 -3.586 -8.229 10.974 448 HA THR 63 HA THR 63 -5.817 -7.620 12.595 449 HB THR 63 HB THR 63 -4.143 -9.166 13.398 450 HG1 THR 63 HG1 THR 63 -5.214 -7.996 15.020 451 HG21 THR 63 1HG2 THR 63 -2.316 -7.258 12.421 452 HG22 THR 63 2HG2 THR 63 -1.955 -8.812 13.172 453 HG23 THR 63 3HG2 THR 63 -2.052 -7.357 14.162 454 H SER 64 H SER 64 -3.097 -5.731 11.477 455 HA SER 64 HA SER 64 -3.385 -3.582 13.310 456 HB2 SER 64 1HB SER 64 -1.927 -4.006 10.737 457 HB3 SER 64 2HB SER 64 -2.133 -2.355 11.322 458 HG SER 64 HG SER 64 -1.138 -3.007 13.274 459 H LYS 65 H LYS 65 -4.755 -1.920 13.326 460 HA LYS 65 HA LYS 65 -6.904 -1.816 11.438 461 HB2 LYS 65 1HB LYS 65 -6.949 -1.226 13.950 462 HB3 LYS 65 2HB LYS 65 -6.283 0.325 13.458 463 HG2 LYS 65 1HG LYS 65 -8.225 0.687 12.006 464 HG3 LYS 65 2HG LYS 65 -8.898 -0.855 12.541 465 HD2 LYS 65 1HD LYS 65 -8.900 -0.002 14.864 466 HD3 LYS 65 2HD LYS 65 -8.328 1.557 14.264 467 HE2 LYS 65 1HE LYS 65 -10.337 2.061 13.266 468 HE3 LYS 65 2HE LYS 65 -10.787 0.367 13.072 469 HZ1 LYS 65 1HZ LYS 65 -12.011 1.732 14.820 470 HZ2 LYS 65 2HZ LYS 65 -10.602 1.605 15.747 471 HZ3 LYS 65 3HZ LYS 65 -11.438 0.210 15.285 472 H ASP 66 H ASP 66 -4.632 0.746 12.442 473 HA ASP 66 HA ASP 66 -5.120 2.443 10.286 474 HB2 ASP 66 1HB ASP 66 -2.536 2.174 11.838 475 HB3 ASP 66 2HB ASP 66 -3.049 3.574 10.900 476 H TRP 67 H TRP 67 -4.901 1.949 8.209 477 HA TRP 67 HA TRP 67 -2.965 0.004 7.315 478 HB2 TRP 67 1HB TRP 67 -3.937 0.459 5.064 479 HB3 TRP 67 2HB TRP 67 -5.140 -0.004 6.265 480 HD1 TRP 67 HD1 TRP 67 -6.859 1.896 7.076 481 HE1 TRP 67 HE1 TRP 67 -7.593 4.110 5.988 482 HE3 TRP 67 HE3 TRP 67 -3.107 2.395 3.640 483 HZ2 TRP 67 HZ2 TRP 67 -6.700 5.839 3.944 484 HZ3 TRP 67 HZ3 TRP 67 -3.120 4.357 2.156 485 HH2 TRP 67 HH2 TRP 67 -4.881 6.043 2.306 486 H LYS 68 H LYS 68 -3.266 3.463 7.435 487 HA LYS 68 HA LYS 68 -1.326 4.111 5.479 488 HB2 LYS 68 1HB LYS 68 -2.322 5.647 7.883 489 HB3 LYS 68 2HB LYS 68 -1.246 6.322 6.667 490 HG2 LYS 68 1HG LYS 68 -2.918 6.091 4.969 491 HG3 LYS 68 2HG LYS 68 -3.979 5.211 6.071 492 HD2 LYS 68 1HD LYS 68 -3.669 7.417 7.518 493 HD3 LYS 68 2HD LYS 68 -3.365 8.115 5.925 494 HE2 LYS 68 1HE LYS 68 -5.503 7.319 5.128 495 HE3 LYS 68 2HE LYS 68 -5.796 6.484 6.652 496 HZ1 LYS 68 1HZ LYS 68 -5.386 9.412 6.507 497 HZ2 LYS 68 2HZ LYS 68 -6.031 8.510 7.784 498 HZ3 LYS 68 3HZ LYS 68 -6.916 8.706 6.356 499 H GLY 69 H GLY 69 -1.098 2.968 8.723 500 HA2 GLY 69 1HA GLY 69 1.647 3.867 9.064 501 HA3 GLY 69 2HA GLY 69 0.700 2.941 10.220 502 H VAL 70 H VAL 70 -0.071 0.791 8.636 503 HA VAL 70 HA VAL 70 2.258 -0.825 8.763 504 HB VAL 70 HB VAL 70 0.844 -2.598 7.771 505 HG11 VAL 70 1HG1 VAL 70 -0.380 -1.009 10.022 506 HG12 VAL 70 2HG1 VAL 70 -0.838 -2.660 9.601 507 HG13 VAL 70 3HG1 VAL 70 0.800 -2.312 10.156 508 HG21 VAL 70 1HG2 VAL 70 -0.948 -0.274 7.280 509 HG22 VAL 70 2HG2 VAL 70 -0.610 -1.674 6.262 510 HG23 VAL 70 3HG2 VAL 70 -1.678 -1.835 7.656 511 H ILE 71 H ILE 71 0.427 0.592 6.088 512 HA ILE 71 HA ILE 71 2.101 -0.595 4.074 513 HB ILE 71 HB ILE 71 0.083 1.640 3.832 514 HG12 ILE 71 1HG1 ILE 71 -0.203 -1.294 3.153 515 HG13 ILE 71 2HG1 ILE 71 -0.822 -0.554 4.625 516 HG21 ILE 71 1HG2 ILE 71 1.756 0.174 1.850 517 HG22 ILE 71 2HG2 ILE 71 0.135 0.692 1.389 518 HG23 ILE 71 3HG2 ILE 71 1.324 1.883 1.917 519 HD11 ILE 71 1HD1 ILE 71 -2.681 -0.015 3.567 520 HD12 ILE 71 2HD1 ILE 71 -1.760 0.957 2.419 521 HD13 ILE 71 3HD1 ILE 71 -2.056 -0.751 2.092 522 H ARG 72 H ARG 72 3.702 0.361 2.871 523 HA ARG 72 HA ARG 72 4.535 3.069 3.662 524 HB2 ARG 72 1HB ARG 72 6.343 0.677 3.271 525 HB3 ARG 72 2HB ARG 72 6.893 2.326 3.536 526 HG2 ARG 72 1HG ARG 72 5.874 2.337 5.738 527 HG3 ARG 72 2HG ARG 72 5.250 0.708 5.472 528 HD2 ARG 72 1HD ARG 72 8.181 1.276 5.244 529 HD3 ARG 72 2HD ARG 72 7.438 1.024 6.823 530 HE ARG 72 HE ARG 72 6.881 -1.024 4.860 531 HH11 ARG 72 1HH1 ARG 72 8.947 0.041 7.452 532 HH12 ARG 72 2HH1 ARG 72 9.529 -1.549 7.816 533 HH21 ARG 72 1HH2 ARG 72 7.641 -3.123 5.329 534 HH22 ARG 72 2HH2 ARG 72 8.787 -3.348 6.607 535 H CYS 73 H CYS 73 5.217 4.382 2.041 536 HA CYS 73 HA CYS 73 4.742 3.469 -0.665 537 HB2 CYS 73 1HB CYS 73 3.871 5.641 -0.030 538 HB3 CYS 73 2HB CYS 73 5.476 6.184 0.444 539 HG CYS 73 HG CYS 73 4.799 5.275 -2.774 540 H ASN 74 H ASN 74 7.377 5.433 0.716 541 HA ASN 74 HA ASN 74 9.245 3.960 -1.023 542 HB2 ASN 74 1HB ASN 74 9.311 6.838 -0.098 543 HB3 ASN 74 2HB ASN 74 10.659 6.043 -0.906 544 HD21 ASN 74 1HD2 ASN 74 9.482 4.603 -2.845 545 HD22 ASN 74 2HD2 ASN 74 8.656 5.637 -3.956 546 H GLY 75 H GLY 75 8.307 3.608 1.880 547 HA2 GLY 75 1HA GLY 75 9.911 2.265 3.256 548 HA3 GLY 75 2HA GLY 75 10.998 3.637 3.103 549 H GLU 76 H GLU 76 8.186 5.138 3.315 550 HA GLU 76 HA GLU 76 8.210 5.173 6.262 551 HB2 GLU 76 1HB GLU 76 7.774 7.428 4.303 552 HB3 GLU 76 2HB GLU 76 7.410 7.559 6.018 553 HG2 GLU 76 1HG GLU 76 9.613 8.502 5.326 554 HG3 GLU 76 2HG GLU 76 9.687 7.301 6.615 555 H THR 77 H THR 77 6.109 6.094 7.171 556 HA THR 77 HA THR 77 3.947 4.488 6.158 557 HB THR 77 HB THR 77 2.673 5.327 8.085 558 HG1 THR 77 HG1 THR 77 4.974 6.962 8.474 559 HG21 THR 77 1HG2 THR 77 4.794 3.627 8.151 560 HG22 THR 77 2HG2 THR 77 3.723 3.937 9.518 561 HG23 THR 77 3HG2 THR 77 5.256 4.799 9.385 562 H LEU 78 H LEU 78 2.289 5.110 4.921 563 HA LEU 78 HA LEU 78 2.201 7.270 3.323 564 HB2 LEU 78 1HB LEU 78 -0.261 6.097 4.619 565 HB3 LEU 78 2HB LEU 78 -0.196 6.962 3.095 566 HG LEU 78 HG LEU 78 1.170 4.319 3.602 567 HD11 LEU 78 1HD1 LEU 78 -0.640 3.201 2.820 568 HD12 LEU 78 2HD1 LEU 78 -1.481 4.575 3.537 569 HD13 LEU 78 3HD1 LEU 78 -1.167 4.542 1.802 570 HD21 LEU 78 1HD2 LEU 78 0.531 5.322 0.891 571 HD22 LEU 78 2HD2 LEU 78 1.858 6.107 1.747 572 HD23 LEU 78 3HD2 LEU 78 1.903 4.368 1.456 573 H ARG 79 H ARG 79 0.971 7.150 6.635 574 HA ARG 79 HA ARG 79 -0.271 9.635 6.747 575 HB2 ARG 79 1HB ARG 79 -0.550 8.088 8.553 576 HB3 ARG 79 2HB ARG 79 1.178 8.060 8.874 577 HG2 ARG 79 1HG ARG 79 -0.220 10.668 9.072 578 HG3 ARG 79 2HG ARG 79 -0.504 9.474 10.341 579 HD2 ARG 79 1HD ARG 79 2.198 10.470 9.443 580 HD3 ARG 79 2HD ARG 79 1.343 11.003 10.889 581 HE ARG 79 HE ARG 79 1.474 8.369 11.294 582 HH11 ARG 79 1HH1 ARG 79 3.897 10.652 10.277 583 HH12 ARG 79 2HH1 ARG 79 5.210 9.776 10.992 584 HH21 ARG 79 1HH2 ARG 79 3.193 7.206 12.240 585 HH22 ARG 79 2HH2 ARG 79 4.808 7.816 12.108 586 H HIS 80 H HIS 80 3.121 8.780 7.317 587 HA HIS 80 HA HIS 80 4.024 11.299 8.134 588 HB2 HIS 80 1HB HIS 80 5.355 9.239 8.357 589 HB3 HIS 80 2HB HIS 80 5.542 9.173 6.607 590 HD1 HIS 80 HD1 HIS 80 6.981 10.663 9.637 591 HD2 HIS 80 HD2 HIS 80 7.186 11.288 5.535 592 HE1 HIS 80 HE1 HIS 80 9.000 12.118 9.279 593 HE2 HIS 80 HE2 HIS 80 9.055 12.553 6.799 594 H LEU 81 H LEU 81 3.997 9.837 4.888 595 HA LEU 81 HA LEU 81 5.113 12.008 3.520 596 HB2 LEU 81 1HB LEU 81 3.088 10.037 2.458 597 HB3 LEU 81 2HB LEU 81 4.192 11.010 1.505 598 HG LEU 81 HG LEU 81 5.168 8.973 3.495 599 HD11 LEU 81 1HD1 LEU 81 4.955 7.271 2.037 600 HD12 LEU 81 2HD1 LEU 81 3.631 8.250 1.408 601 HD13 LEU 81 3HD1 LEU 81 5.212 8.302 0.629 602 HD21 LEU 81 1HD2 LEU 81 6.518 10.949 2.255 603 HD22 LEU 81 2HD2 LEU 81 7.235 9.404 2.708 604 HD23 LEU 81 3HD2 LEU 81 6.671 9.663 1.058 605 H GLU 82 H GLU 82 1.726 11.206 4.202 606 HA GLU 82 HA GLU 82 0.505 13.242 2.755 607 HB2 GLU 82 1HB GLU 82 -0.819 11.475 3.696 608 HB3 GLU 82 2HB GLU 82 -0.324 11.900 5.328 609 HG2 GLU 82 1HG GLU 82 -1.430 14.210 4.669 610 HG3 GLU 82 2HG GLU 82 -2.326 13.177 3.556 611 H GLN 83 H GLN 83 1.799 13.267 6.047 612 HA GLN 83 HA GLN 83 0.913 15.803 6.814 613 HB2 GLN 83 1HB GLN 83 3.395 14.284 7.624 614 HB3 GLN 83 2HB GLN 83 2.833 15.749 8.419 615 HG2 GLN 83 1HG GLN 83 0.983 13.429 8.154 616 HG3 GLN 83 2HG GLN 83 2.244 13.402 9.385 617 HE21 GLN 83 1HE2 GLN 83 0.099 13.265 10.614 618 HE22 GLN 83 2HE2 GLN 83 -0.538 14.768 11.181 619 H LYS 84 H LYS 84 3.679 14.807 4.903 620 HA LYS 84 HA LYS 84 4.799 17.476 4.837 621 HB2 LYS 84 1HB LYS 84 5.557 14.871 3.524 622 HB3 LYS 84 2HB LYS 84 6.372 16.382 3.144 623 HG2 LYS 84 1HG LYS 84 7.355 16.533 5.221 624 HG3 LYS 84 2HG LYS 84 6.139 15.508 5.987 625 HD2 LYS 84 1HD LYS 84 8.005 14.125 5.889 626 HD3 LYS 84 2HD LYS 84 7.083 13.647 4.461 627 HE2 LYS 84 1HE LYS 84 8.504 14.902 3.025 628 HE3 LYS 84 2HE LYS 84 9.290 15.694 4.391 629 HZ1 LYS 84 1HZ LYS 84 9.432 12.793 4.349 630 HZ2 LYS 84 2HZ LYS 84 10.613 13.929 4.765 631 HZ3 LYS 84 3HZ LYS 84 10.307 13.586 3.137 632 H GLY 85 H GLY 85 2.105 16.439 3.567 633 HA2 GLY 85 1HA GLY 85 0.796 17.198 1.834 634 HA3 GLY 85 2HA GLY 85 2.072 18.348 1.462 635 H LEU 86 H LEU 86 2.720 14.930 1.566 636 HA LEU 86 HA LEU 86 3.283 15.001 -1.306 637 HB2 LEU 86 1HB LEU 86 4.009 12.833 0.658 638 HB3 LEU 86 2HB LEU 86 4.660 13.073 -0.952 639 HG LEU 86 HG LEU 86 5.050 15.087 1.251 640 HD11 LEU 86 1HD1 LEU 86 5.938 12.835 1.883 641 HD12 LEU 86 2HD1 LEU 86 6.984 12.919 0.466 642 HD13 LEU 86 3HD1 LEU 86 7.157 14.103 1.761 643 HD21 LEU 86 1HD2 LEU 86 7.180 15.286 -0.373 644 HD22 LEU 86 2HD2 LEU 86 5.967 14.744 -1.532 645 HD23 LEU 86 3HD2 LEU 86 5.697 16.214 -0.597 646 H LEU 87 H LEU 87 1.459 13.182 1.107 647 HA LEU 87 HA LEU 87 0.048 11.810 -1.087 648 HB2 LEU 87 1HB LEU 87 1.415 10.585 0.864 649 HB3 LEU 87 2HB LEU 87 -0.123 10.765 1.686 650 HG LEU 87 HG LEU 87 -0.059 9.569 -1.055 651 HD11 LEU 87 1HD1 LEU 87 1.405 8.037 -0.282 652 HD12 LEU 87 2HD1 LEU 87 1.055 8.395 1.409 653 HD13 LEU 87 3HD1 LEU 87 -0.037 7.367 0.482 654 HD21 LEU 87 1HD2 LEU 87 -2.229 9.450 -0.586 655 HD22 LEU 87 2HD2 LEU 87 -1.827 8.237 0.629 656 HD23 LEU 87 3HD2 LEU 87 -1.959 9.934 1.088 657 H PHE 88 H PHE 88 -1.983 12.407 -1.401 658 HA PHE 88 HA PHE 88 -3.302 14.249 0.313 659 HB2 PHE 88 1HB PHE 88 -4.986 14.328 -1.297 660 HB3 PHE 88 2HB PHE 88 -3.571 13.883 -2.246 661 HD1 PHE 88 HD1 PHE 88 -3.231 11.111 -2.013 662 HD2 PHE 88 HD2 PHE 88 -6.880 13.302 -2.059 663 HE1 PHE 88 HE1 PHE 88 -4.414 9.118 -2.841 664 HE2 PHE 88 HE2 PHE 88 -8.068 11.313 -2.885 665 HZ PHE 88 HZ PHE 88 -6.836 9.217 -3.277 666 H SER 89 H SER 89 -3.498 10.775 -0.158 667 HA SER 89 HA SER 89 -4.645 9.130 0.924 668 HB2 SER 89 1HB SER 89 -3.218 10.387 2.774 669 HB3 SER 89 2HB SER 89 -4.816 10.811 3.388 670 HG SER 89 HG SER 89 -5.274 8.683 3.681 671 H GLY 90 H GLY 90 -6.281 10.819 -0.573 672 HA2 GLY 90 1HA GLY 90 -8.523 11.193 -0.911 673 HA3 GLY 90 2HA GLY 90 -8.824 10.207 0.513 674 HA PRO 91 HA PRO 91 -10.074 14.606 1.398 675 HB2 PRO 91 1HB PRO 91 -12.550 13.982 2.320 676 HB3 PRO 91 2HB PRO 91 -12.207 14.275 0.611 677 HG2 PRO 91 1HG PRO 91 -12.482 11.675 2.070 678 HG3 PRO 91 2HG PRO 91 -13.120 12.140 0.482 679 HD2 PRO 91 1HD PRO 91 -10.886 10.637 0.772 680 HD3 PRO 91 2HD PRO 91 -11.104 11.774 -0.574 681 H SER 92 H SER 92 -9.311 15.345 3.268 682 HA SER 92 HA SER 92 -8.658 13.791 5.477 683 HB2 SER 92 1HB SER 92 -9.139 16.759 5.207 684 HB3 SER 92 2HB SER 92 -8.577 16.022 6.707 685 HG SER 92 HG SER 92 -7.193 15.323 4.410 686 H SER 93 H SER 93 -10.141 12.566 6.479 687 HA SER 93 HA SER 93 -12.739 13.728 7.163 688 HB2 SER 93 1HB SER 93 -12.880 11.565 6.112 689 HB3 SER 93 2HB SER 93 -11.714 10.882 7.246 690 HG SER 93 HG SER 93 -13.606 10.301 8.106 691 H GLY 94 H GLY 94 -13.607 13.459 9.321 692 HA2 GLY 94 1HA GLY 94 -11.688 12.920 11.450 693 HA3 GLY 94 2HA GLY 94 -12.321 14.557 11.365 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 5.805 16.110 -38.410 2 HA2 GLY 1 1HA GLY 1 6.316 14.742 -40.927 3 HA3 GLY 1 2HA GLY 1 7.123 14.070 -39.518 4 H SER 2 H SER 2 5.744 12.204 -40.351 5 HA SER 2 HA SER 2 3.083 12.334 -39.089 6 HB2 SER 2 1HB SER 2 2.403 10.546 -40.685 7 HB3 SER 2 2HB SER 2 2.853 12.049 -41.489 8 HG SER 2 HG SER 2 4.217 10.879 -42.560 9 H SER 3 H SER 3 2.858 11.119 -37.342 10 HA SER 3 HA SER 3 4.343 8.599 -37.141 11 HB2 SER 3 1HB SER 3 5.359 10.680 -35.854 12 HB3 SER 3 2HB SER 3 4.103 10.280 -34.681 13 HG SER 3 HG SER 3 5.735 9.030 -34.042 14 H GLY 4 H GLY 4 2.775 7.123 -37.070 15 HA2 GLY 4 1HA GLY 4 0.238 7.725 -35.774 16 HA3 GLY 4 2HA GLY 4 0.616 6.287 -36.711 17 H SER 5 H SER 5 2.259 7.699 -33.896 18 HA SER 5 HA SER 5 1.827 5.141 -32.498 19 HB2 SER 5 1HB SER 5 4.180 6.972 -32.654 20 HB3 SER 5 2HB SER 5 3.914 6.087 -31.152 21 HG SER 5 HG SER 5 4.142 4.187 -32.222 22 H SER 6 H SER 6 0.703 5.179 -30.666 23 HA SER 6 HA SER 6 -0.248 7.715 -29.642 24 HB2 SER 6 1HB SER 6 -0.858 4.866 -28.820 25 HB3 SER 6 2HB SER 6 -1.642 6.293 -28.143 26 HG SER 6 HG SER 6 -2.867 6.387 -29.842 27 H GLY 7 H GLY 7 -0.379 7.927 -27.175 28 HA2 GLY 7 1HA GLY 7 1.421 6.715 -25.437 29 HA3 GLY 7 2HA GLY 7 2.269 8.070 -26.169 30 H ASN 8 H ASN 8 2.014 8.169 -23.526 31 HA ASN 8 HA ASN 8 -0.332 9.828 -22.936 32 HB2 ASN 8 1HB ASN 8 1.582 8.256 -21.245 33 HB3 ASN 8 2HB ASN 8 0.678 9.587 -20.530 34 HD21 ASN 8 1HD2 ASN 8 -1.745 9.460 -21.543 35 HD22 ASN 8 2HD2 ASN 8 -2.502 7.941 -21.217 36 H ASP 9 H ASP 9 0.188 11.626 -21.267 37 HA ASP 9 HA ASP 9 2.167 13.342 -22.507 38 HB2 ASP 9 1HB ASP 9 0.007 13.764 -20.457 39 HB3 ASP 9 2HB ASP 9 1.230 14.997 -20.752 40 H ALA 10 H ALA 10 2.098 11.164 -19.956 41 HA ALA 10 HA ALA 10 4.729 11.900 -19.102 42 HB1 ALA 10 1HB ALA 10 2.417 12.803 -17.554 43 HB2 ALA 10 2HB ALA 10 3.615 11.917 -16.610 44 HB3 ALA 10 3HB ALA 10 4.094 13.351 -17.519 45 H VAL 11 H VAL 11 5.342 10.485 -17.101 46 HA VAL 11 HA VAL 11 5.227 7.826 -17.809 47 HB VAL 11 HB VAL 11 5.943 7.294 -15.508 48 HG11 VAL 11 1HG1 VAL 11 8.029 8.415 -15.603 49 HG12 VAL 11 2HG1 VAL 11 7.491 8.220 -17.273 50 HG13 VAL 11 3HG1 VAL 11 7.333 9.783 -16.471 51 HG21 VAL 11 1HG2 VAL 11 4.855 8.612 -14.000 52 HG22 VAL 11 2HG2 VAL 11 6.362 9.520 -14.127 53 HG23 VAL 11 3HG2 VAL 11 4.937 10.046 -15.024 54 H ASP 12 H ASP 12 2.787 9.711 -16.358 55 HA ASP 12 HA ASP 12 0.650 9.236 -15.732 56 HB2 ASP 12 1HB ASP 12 1.025 7.537 -17.733 57 HB3 ASP 12 2HB ASP 12 0.931 6.348 -16.436 58 H PHE 13 H PHE 13 2.884 8.948 -13.907 59 HA PHE 13 HA PHE 13 1.845 6.883 -12.086 60 HB2 PHE 13 1HB PHE 13 4.560 8.217 -12.043 61 HB3 PHE 13 2HB PHE 13 4.028 6.901 -11.003 62 HD1 PHE 13 HD2 PHE 13 2.504 5.574 -13.450 63 HD2 PHE 13 HD1 PHE 13 6.489 6.895 -12.748 64 HE1 PHE 13 HE2 PHE 13 3.331 3.942 -15.095 65 HE2 PHE 13 HE1 PHE 13 7.322 5.265 -14.393 66 HZ PHE 13 HZ PHE 13 5.743 3.785 -15.568 67 H SER 14 H SER 14 1.182 9.885 -12.623 68 HA SER 14 HA SER 14 1.786 11.242 -10.199 69 HB2 SER 14 1HB SER 14 0.116 11.760 -12.592 70 HB3 SER 14 2HB SER 14 -0.358 12.604 -11.118 71 HG SER 14 HG SER 14 1.289 13.870 -11.374 72 HA PRO 15 HA PRO 15 -2.778 10.246 -8.979 73 HB2 PRO 15 1HB PRO 15 -4.138 8.492 -10.541 74 HB3 PRO 15 2HB PRO 15 -4.130 10.235 -10.836 75 HG2 PRO 15 1HG PRO 15 -2.521 8.083 -12.156 76 HG3 PRO 15 2HG PRO 15 -3.344 9.473 -12.888 77 HD2 PRO 15 1HD PRO 15 -0.680 9.446 -12.407 78 HD3 PRO 15 2HD PRO 15 -1.649 10.931 -12.329 79 H THR 16 H THR 16 -0.278 8.212 -9.667 80 HA THR 16 HA THR 16 -1.339 6.133 -7.871 81 HB THR 16 HB THR 16 -0.045 4.436 -9.079 82 HG1 THR 16 HG1 THR 16 0.612 5.299 -11.321 83 HG21 THR 16 1HG2 THR 16 -2.347 5.818 -10.084 84 HG22 THR 16 2HG2 THR 16 -1.950 4.103 -10.185 85 HG23 THR 16 3HG2 THR 16 -1.386 5.213 -11.433 86 H LEU 17 H LEU 17 0.139 5.190 -6.436 87 HA LEU 17 HA LEU 17 2.832 6.333 -6.341 88 HB2 LEU 17 1HB LEU 17 1.043 6.210 -3.916 89 HB3 LEU 17 2HB LEU 17 2.660 6.882 -4.004 90 HG LEU 17 HG LEU 17 0.316 8.013 -5.528 91 HD11 LEU 17 1HD1 LEU 17 0.173 9.722 -3.814 92 HD12 LEU 17 2HD1 LEU 17 -0.100 8.126 -3.114 93 HD13 LEU 17 3HD1 LEU 17 1.453 8.932 -2.893 94 HD21 LEU 17 1HD2 LEU 17 2.911 8.396 -6.032 95 HD22 LEU 17 2HD2 LEU 17 1.702 9.664 -6.227 96 HD23 LEU 17 3HD2 LEU 17 2.690 9.606 -4.768 97 HA PRO 18 HA PRO 18 3.926 2.152 -5.485 98 HB2 PRO 18 1HB PRO 18 6.414 2.580 -4.487 99 HB3 PRO 18 2HB PRO 18 6.032 2.720 -6.207 100 HG2 PRO 18 1HG PRO 18 6.301 4.873 -4.145 101 HG3 PRO 18 2HG PRO 18 6.905 4.839 -5.812 102 HD2 PRO 18 1HD PRO 18 4.654 6.167 -5.105 103 HD3 PRO 18 2HD PRO 18 4.856 5.413 -6.699 104 H VAL 19 H VAL 19 3.030 1.068 -3.849 105 HA VAL 19 HA VAL 19 3.657 1.917 -1.095 106 HB VAL 19 HB VAL 19 1.494 0.986 -0.391 107 HG11 VAL 19 1HG1 VAL 19 1.039 3.170 -0.589 108 HG12 VAL 19 2HG1 VAL 19 1.809 3.285 -2.173 109 HG13 VAL 19 3HG1 VAL 19 0.150 2.700 -2.038 110 HG21 VAL 19 1HG2 VAL 19 -0.204 0.500 -2.169 111 HG22 VAL 19 2HG2 VAL 19 1.112 0.521 -3.344 112 HG23 VAL 19 3HG2 VAL 19 1.101 -0.681 -2.053 113 H THR 20 H THR 20 3.985 0.287 0.454 114 HA THR 20 HA THR 20 4.146 -2.473 -0.495 115 HB THR 20 HB THR 20 6.411 -2.724 0.557 116 HG1 THR 20 HG1 THR 20 7.506 -0.488 0.518 117 HG21 THR 20 1HG2 THR 20 6.598 -2.722 -1.730 118 HG22 THR 20 2HG2 THR 20 7.547 -1.286 -1.347 119 HG23 THR 20 3HG2 THR 20 5.879 -1.121 -1.897 120 H CYS 21 H CYS 21 3.551 -3.920 1.012 121 HA CYS 21 HA CYS 21 3.451 -3.047 3.819 122 HB2 CYS 21 1HB CYS 21 1.194 -2.920 2.814 123 HB3 CYS 21 2HB CYS 21 1.303 -4.623 2.385 124 HG CYS 21 HG CYS 21 1.794 -3.975 5.639 125 H GLY 22 H GLY 22 4.888 -4.277 4.850 126 HA2 GLY 22 1HA GLY 22 6.033 -6.124 5.588 127 HA3 GLY 22 2HA GLY 22 4.564 -7.020 5.226 128 H LYS 23 H LYS 23 4.581 -8.439 3.589 129 HA LYS 23 HA LYS 23 7.002 -8.524 1.917 130 HB2 LYS 23 1HB LYS 23 6.490 -10.924 1.611 131 HB3 LYS 23 2HB LYS 23 6.741 -10.499 3.299 132 HG2 LYS 23 1HG LYS 23 4.216 -10.329 3.480 133 HG3 LYS 23 2HG LYS 23 4.158 -11.117 1.901 134 HD2 LYS 23 1HD LYS 23 5.803 -12.340 4.068 135 HD3 LYS 23 2HD LYS 23 4.048 -12.525 4.119 136 HE2 LYS 23 1HE LYS 23 4.847 -14.411 2.959 137 HE3 LYS 23 2HE LYS 23 4.210 -13.332 1.719 138 HZ1 LYS 23 1HZ LYS 23 6.462 -14.406 1.306 139 HZ2 LYS 23 2HZ LYS 23 7.073 -13.319 2.449 140 HZ3 LYS 23 3HZ LYS 23 6.342 -12.740 1.038 141 H ALA 24 H ALA 24 4.301 -7.092 1.577 142 HA ALA 24 HA ALA 24 3.647 -8.197 -1.076 143 HB1 ALA 24 1HB ALA 24 1.956 -7.639 1.078 144 HB2 ALA 24 2HB ALA 24 1.664 -6.357 -0.099 145 HB3 ALA 24 3HB ALA 24 1.490 -8.046 -0.574 146 H LYS 25 H LYS 25 3.482 -6.815 -2.829 147 HA LYS 25 HA LYS 25 4.212 -4.004 -2.401 148 HB2 LYS 25 1HB LYS 25 5.440 -5.716 -4.565 149 HB3 LYS 25 2HB LYS 25 5.843 -4.051 -4.168 150 HG2 LYS 25 1HG LYS 25 6.872 -4.689 -2.134 151 HG3 LYS 25 2HG LYS 25 6.229 -6.329 -2.246 152 HD2 LYS 25 1HD LYS 25 8.001 -5.277 -4.412 153 HD3 LYS 25 2HD LYS 25 8.711 -5.847 -2.899 154 HE2 LYS 25 1HE LYS 25 7.449 -7.987 -3.220 155 HE3 LYS 25 2HE LYS 25 6.986 -7.405 -4.819 156 HZ1 LYS 25 1HZ LYS 25 9.058 -7.712 -5.633 157 HZ2 LYS 25 2HZ LYS 25 9.128 -8.881 -4.412 158 HZ3 LYS 25 3HZ LYS 25 9.828 -7.360 -4.168 159 H GLY 26 H GLY 26 3.014 -2.612 -3.550 160 HA2 GLY 26 1HA GLY 26 1.809 -3.422 -6.068 161 HA3 GLY 26 2HA GLY 26 0.679 -3.097 -4.762 162 H THR 27 H THR 27 -0.242 -1.351 -5.863 163 HA THR 27 HA THR 27 1.252 1.126 -5.577 164 HB THR 27 HB THR 27 0.021 0.355 -8.230 165 HG1 THR 27 HG1 THR 27 2.504 0.000 -7.206 166 HG21 THR 27 1HG2 THR 27 0.348 2.483 -8.965 167 HG22 THR 27 2HG2 THR 27 1.744 2.746 -7.920 168 HG23 THR 27 3HG2 THR 27 0.113 2.847 -7.257 169 H LEU 28 H LEU 28 -0.018 2.680 -4.789 170 HA LEU 28 HA LEU 28 -2.875 2.179 -4.586 171 HB2 LEU 28 1HB LEU 28 -1.799 2.865 -2.566 172 HB3 LEU 28 2HB LEU 28 -1.055 4.242 -3.357 173 HG LEU 28 HG LEU 28 -3.614 4.892 -3.765 174 HD11 LEU 28 1HD1 LEU 28 -3.772 2.691 -1.975 175 HD12 LEU 28 2HD1 LEU 28 -4.246 4.151 -1.108 176 HD13 LEU 28 3HD1 LEU 28 -5.073 3.705 -2.599 177 HD21 LEU 28 1HD2 LEU 28 -3.246 5.836 -1.210 178 HD22 LEU 28 2HD2 LEU 28 -1.600 5.517 -1.757 179 HD23 LEU 28 3HD2 LEU 28 -2.646 6.590 -2.687 180 H PHE 29 H PHE 29 -4.440 3.295 -5.612 181 HA PHE 29 HA PHE 29 -3.571 5.379 -7.501 182 HB2 PHE 29 1HB PHE 29 -5.929 3.489 -7.627 183 HB3 PHE 29 2HB PHE 29 -5.643 4.794 -8.773 184 HD1 PHE 29 HD2 PHE 29 -3.604 2.059 -7.251 185 HD2 PHE 29 HD1 PHE 29 -4.821 4.095 -10.786 186 HE1 PHE 29 HE2 PHE 29 -2.190 0.562 -8.596 187 HE2 PHE 29 HE1 PHE 29 -3.409 2.600 -12.137 188 HZ PHE 29 HZ PHE 29 -2.090 0.831 -11.042 189 H GLN 30 H GLN 30 -3.879 7.282 -6.494 190 HA GLN 30 HA GLN 30 -5.710 7.919 -4.537 191 HB2 GLN 30 1HB GLN 30 -5.057 9.994 -6.580 192 HB3 GLN 30 2HB GLN 30 -5.087 10.121 -4.826 193 HG2 GLN 30 1HG GLN 30 -3.041 8.565 -4.892 194 HG3 GLN 30 2HG GLN 30 -2.947 9.011 -6.595 195 HE21 GLN 30 1HE2 GLN 30 -2.493 10.034 -3.339 196 HE22 GLN 30 2HE2 GLN 30 -1.779 11.567 -3.691 197 H GLU 31 H GLU 31 -6.189 7.661 -7.977 198 HA GLU 31 HA GLU 31 -8.668 9.055 -8.084 199 HB2 GLU 31 1HB GLU 31 -8.911 8.001 -10.305 200 HB3 GLU 31 2HB GLU 31 -7.341 8.762 -10.091 201 HG2 GLU 31 1HG GLU 31 -6.334 6.591 -9.649 202 HG3 GLU 31 2HG GLU 31 -7.907 5.817 -9.829 203 H LYS 32 H LYS 32 -7.765 5.661 -7.710 204 HA LYS 32 HA LYS 32 -10.552 4.844 -7.567 205 HB2 LYS 32 1HB LYS 32 -7.924 3.398 -7.586 206 HB3 LYS 32 2HB LYS 32 -9.379 2.570 -7.048 207 HG2 LYS 32 1HG LYS 32 -10.309 2.550 -9.133 208 HG3 LYS 32 2HG LYS 32 -9.455 4.006 -9.649 209 HD2 LYS 32 1HD LYS 32 -7.335 2.636 -9.590 210 HD3 LYS 32 2HD LYS 32 -8.359 1.214 -9.379 211 HE2 LYS 32 1HE LYS 32 -8.031 1.267 -11.672 212 HE3 LYS 32 2HE LYS 32 -9.583 2.083 -11.487 213 HZ1 LYS 32 1HZ LYS 32 -8.640 4.143 -11.899 214 HZ2 LYS 32 2HZ LYS 32 -7.821 3.141 -12.988 215 HZ3 LYS 32 3HZ LYS 32 -7.067 3.624 -11.553 216 H LEU 33 H LEU 33 -8.283 6.089 -5.468 217 HA LEU 33 HA LEU 33 -9.306 4.639 -3.140 218 HB2 LEU 33 1HB LEU 33 -6.892 4.858 -3.293 219 HB3 LEU 33 2HB LEU 33 -7.030 6.601 -3.425 220 HG LEU 33 HG LEU 33 -7.999 6.640 -1.121 221 HD11 LEU 33 1HD1 LEU 33 -7.153 4.356 0.063 222 HD12 LEU 33 2HD1 LEU 33 -8.814 4.665 -0.441 223 HD13 LEU 33 3HD1 LEU 33 -7.733 3.742 -1.485 224 HD21 LEU 33 1HD2 LEU 33 -5.822 7.268 -0.996 225 HD22 LEU 33 2HD2 LEU 33 -5.702 5.754 -0.100 226 HD23 LEU 33 3HD2 LEU 33 -5.239 5.811 -1.801 227 H LYS 34 H LYS 34 -9.043 7.903 -4.467 228 HA LYS 34 HA LYS 34 -9.995 9.457 -2.442 229 HB2 LYS 34 1HB LYS 34 -10.988 10.919 -4.194 230 HB3 LYS 34 2HB LYS 34 -9.335 10.431 -4.544 231 HG2 LYS 34 1HG LYS 34 -9.967 9.048 -6.277 232 HG3 LYS 34 2HG LYS 34 -11.613 8.863 -5.668 233 HD2 LYS 34 1HD LYS 34 -12.215 11.044 -6.377 234 HD3 LYS 34 2HD LYS 34 -10.534 11.482 -6.689 235 HE2 LYS 34 1HE LYS 34 -11.215 11.040 -8.821 236 HE3 LYS 34 2HE LYS 34 -10.678 9.430 -8.345 237 HZ1 LYS 34 1HZ LYS 34 -12.816 9.296 -9.402 238 HZ2 LYS 34 2HZ LYS 34 -13.475 10.428 -8.332 239 HZ3 LYS 34 3HZ LYS 34 -12.992 8.909 -7.764 240 H GLN 35 H GLN 35 -11.864 7.343 -4.553 241 HA GLN 35 HA GLN 35 -14.429 8.176 -3.767 242 HB2 GLN 35 1HB GLN 35 -13.496 5.469 -4.738 243 HB3 GLN 35 2HB GLN 35 -15.178 5.968 -4.616 244 HG2 GLN 35 1HG GLN 35 -14.295 7.960 -6.130 245 HG3 GLN 35 2HG GLN 35 -13.103 6.741 -6.579 246 HE21 GLN 35 1HE2 GLN 35 -14.763 4.480 -6.343 247 HE22 GLN 35 2HE2 GLN 35 -15.921 4.529 -7.623 248 H GLY 36 H GLY 36 -12.237 5.741 -2.437 249 HA2 GLY 36 1HA GLY 36 -13.106 5.973 0.188 250 HA3 GLY 36 2HA GLY 36 -14.072 4.697 -0.537 251 H ALA 37 H ALA 37 -12.082 4.563 1.618 252 HA ALA 37 HA ALA 37 -9.801 3.191 0.499 253 HB1 ALA 37 1HB ALA 37 -9.258 4.384 2.419 254 HB2 ALA 37 2HB ALA 37 -10.697 3.839 3.283 255 HB3 ALA 37 3HB ALA 37 -9.366 2.719 2.993 256 H SER 38 H SER 38 -12.705 2.198 0.305 257 HA SER 38 HA SER 38 -12.269 -0.483 1.442 258 HB2 SER 38 1HB SER 38 -14.785 1.049 0.810 259 HB3 SER 38 2HB SER 38 -14.802 -0.701 1.029 260 HG SER 38 HG SER 38 -14.093 1.298 2.900 261 H LYS 39 H LYS 39 -12.644 1.323 -1.456 262 HA LYS 39 HA LYS 39 -13.325 -0.952 -3.105 263 HB2 LYS 39 1HB LYS 39 -12.566 1.893 -3.782 264 HB3 LYS 39 2HB LYS 39 -12.986 0.680 -4.985 265 HG2 LYS 39 1HG LYS 39 -14.974 1.807 -4.706 266 HG3 LYS 39 2HG LYS 39 -15.170 0.434 -3.614 267 HD2 LYS 39 1HD LYS 39 -14.614 1.788 -1.714 268 HD3 LYS 39 2HD LYS 39 -14.178 3.148 -2.751 269 HE2 LYS 39 1HE LYS 39 -16.486 3.336 -3.500 270 HE3 LYS 39 2HE LYS 39 -16.934 1.941 -2.519 271 HZ1 LYS 39 1HZ LYS 39 -17.432 4.171 -1.527 272 HZ2 LYS 39 2HZ LYS 39 -15.765 4.409 -1.367 273 HZ3 LYS 39 3HZ LYS 39 -16.521 3.138 -0.544 274 H LYS 40 H LYS 40 -11.989 -1.934 -4.635 275 HA LYS 40 HA LYS 40 -9.317 -2.350 -3.871 276 HB2 LYS 40 1HB LYS 40 -10.469 -2.902 -6.606 277 HB3 LYS 40 2HB LYS 40 -9.121 -3.720 -5.826 278 HG2 LYS 40 1HG LYS 40 -11.741 -3.798 -4.448 279 HG3 LYS 40 2HG LYS 40 -11.559 -4.757 -5.918 280 HD2 LYS 40 1HD LYS 40 -9.421 -5.662 -4.866 281 HD3 LYS 40 2HD LYS 40 -9.990 -4.940 -3.359 282 HE2 LYS 40 1HE LYS 40 -10.794 -7.101 -3.200 283 HE3 LYS 40 2HE LYS 40 -12.180 -6.237 -3.866 284 HZ1 LYS 40 1HZ LYS 40 -12.133 -7.905 -5.350 285 HZ2 LYS 40 2HZ LYS 40 -10.501 -8.263 -5.087 286 HZ3 LYS 40 3HZ LYS 40 -10.932 -6.976 -6.097 287 H CYS 41 H CYS 41 -7.900 -0.707 -3.886 288 HA CYS 41 HA CYS 41 -7.637 0.848 -6.376 289 HB2 CYS 41 1HB CYS 41 -6.698 2.669 -4.978 290 HB3 CYS 41 2HB CYS 41 -8.364 2.284 -4.563 291 HG CYS 41 HG CYS 41 -7.955 1.796 -2.075 292 H ILE 42 H ILE 42 -6.053 -1.067 -3.961 293 HA ILE 42 HA ILE 42 -3.390 -0.443 -4.922 294 HB ILE 42 HB ILE 42 -4.374 -2.405 -2.852 295 HG12 ILE 42 1HG1 ILE 42 -2.616 0.006 -2.442 296 HG13 ILE 42 2HG1 ILE 42 -4.371 0.137 -2.440 297 HG21 ILE 42 1HG2 ILE 42 -2.449 -3.431 -3.711 298 HG22 ILE 42 2HG2 ILE 42 -1.608 -1.893 -3.897 299 HG23 ILE 42 3HG2 ILE 42 -1.892 -2.553 -2.287 300 HD11 ILE 42 1HD1 ILE 42 -4.054 -1.876 -0.693 301 HD12 ILE 42 2HD1 ILE 42 -2.553 -0.989 -0.426 302 HD13 ILE 42 3HD1 ILE 42 -4.105 -0.174 -0.235 303 H GLN 43 H GLN 43 -2.864 -1.244 -6.858 304 HA GLN 43 HA GLN 43 -3.781 -3.913 -7.619 305 HB2 GLN 43 1HB GLN 43 -3.859 -1.771 -9.114 306 HB3 GLN 43 2HB GLN 43 -2.159 -2.124 -9.395 307 HG2 GLN 43 1HG GLN 43 -2.880 -4.434 -10.101 308 HG3 GLN 43 2HG GLN 43 -4.536 -3.829 -10.071 309 HE21 GLN 43 1HE2 GLN 43 -5.029 -3.847 -12.182 310 HE22 GLN 43 2HE2 GLN 43 -4.186 -2.955 -13.398 311 H ASN 44 H ASN 44 -2.519 -5.618 -7.332 312 HA ASN 44 HA ASN 44 0.240 -5.304 -6.569 313 HB2 ASN 44 1HB ASN 44 0.183 -7.546 -5.943 314 HB3 ASN 44 2HB ASN 44 -1.493 -7.055 -5.715 315 HD21 ASN 44 1HD2 ASN 44 -2.832 -7.313 -7.801 316 HD22 ASN 44 2HD2 ASN 44 -2.645 -8.827 -8.612 317 H GLU 45 H GLU 45 1.768 -7.093 -7.595 318 HA GLU 45 HA GLU 45 2.424 -6.239 -10.157 319 HB2 GLU 45 1HB GLU 45 3.124 -8.875 -8.852 320 HB3 GLU 45 2HB GLU 45 3.941 -8.173 -10.241 321 HG2 GLU 45 1HG GLU 45 3.768 -6.558 -7.758 322 HG3 GLU 45 2HG GLU 45 4.883 -7.922 -7.794 323 H ALA 46 H ALA 46 0.309 -8.815 -9.106 324 HA ALA 46 HA ALA 46 0.074 -10.049 -11.681 325 HB1 ALA 46 1HB ALA 46 -2.034 -10.396 -9.613 326 HB2 ALA 46 2HB ALA 46 -1.278 -11.588 -10.671 327 HB3 ALA 46 3HB ALA 46 -0.409 -10.984 -9.260 328 H GLY 47 H GLY 47 -0.916 -7.111 -10.636 329 HA2 GLY 47 1HA GLY 47 -2.261 -5.567 -11.724 330 HA3 GLY 47 2HA GLY 47 -2.818 -6.850 -12.788 331 H ASP 48 H ASP 48 -3.398 -8.404 -10.182 332 HA ASP 48 HA ASP 48 -6.162 -7.831 -10.095 333 HB2 ASP 48 1HB ASP 48 -4.465 -9.395 -8.138 334 HB3 ASP 48 2HB ASP 48 -6.225 -9.420 -8.209 335 H TRP 49 H TRP 49 -7.021 -6.048 -9.270 336 HA TRP 49 HA TRP 49 -5.720 -4.340 -7.442 337 HB2 TRP 49 1HB TRP 49 -8.654 -4.511 -8.165 338 HB3 TRP 49 2HB TRP 49 -7.899 -3.176 -7.299 339 HD1 TRP 49 HD1 TRP 49 -7.931 -4.822 -10.783 340 HE1 TRP 49 HE1 TRP 49 -7.150 -3.077 -12.506 341 HE3 TRP 49 HE3 TRP 49 -6.622 -1.053 -7.586 342 HZ2 TRP 49 HZ2 TRP 49 -6.115 -0.451 -12.510 343 HZ3 TRP 49 HZ3 TRP 49 -5.744 1.043 -8.530 344 HH2 TRP 49 HH2 TRP 49 -5.496 1.335 -10.941 345 H LEU 50 H LEU 50 -6.125 -3.919 -5.255 346 HA LEU 50 HA LEU 50 -7.751 -5.872 -3.797 347 HB2 LEU 50 1HB LEU 50 -4.921 -5.160 -3.024 348 HB3 LEU 50 2HB LEU 50 -5.991 -6.253 -2.166 349 HG LEU 50 HG LEU 50 -5.250 -6.826 -5.011 350 HD11 LEU 50 1HD1 LEU 50 -3.118 -7.202 -4.544 351 HD12 LEU 50 2HD1 LEU 50 -3.370 -6.572 -2.916 352 HD13 LEU 50 3HD1 LEU 50 -3.581 -8.293 -3.238 353 HD21 LEU 50 1HD2 LEU 50 -6.973 -8.039 -3.347 354 HD22 LEU 50 2HD2 LEU 50 -6.074 -8.889 -4.604 355 HD23 LEU 50 3HD2 LEU 50 -5.496 -8.911 -2.938 356 H THR 51 H THR 51 -8.628 -5.127 -1.881 357 HA THR 51 HA THR 51 -8.903 -2.289 -1.657 358 HB THR 51 HB THR 51 -10.400 -2.734 0.199 359 HG1 THR 51 HG1 THR 51 -9.393 -4.382 1.296 360 HG21 THR 51 1HG2 THR 51 -11.026 -4.984 -1.655 361 HG22 THR 51 2HG2 THR 51 -10.952 -3.345 -2.304 362 HG23 THR 51 3HG2 THR 51 -12.083 -3.731 -1.008 363 H VAL 52 H VAL 52 -8.339 -0.970 0.117 364 HA VAL 52 HA VAL 52 -5.812 -0.939 1.011 365 HB VAL 52 HB VAL 52 -8.195 -0.153 2.694 366 HG11 VAL 52 1HG1 VAL 52 -6.706 1.289 3.904 367 HG12 VAL 52 2HG1 VAL 52 -6.052 -0.350 3.943 368 HG13 VAL 52 3HG1 VAL 52 -5.358 0.852 2.854 369 HG21 VAL 52 1HG2 VAL 52 -6.632 1.885 1.259 370 HG22 VAL 52 2HG2 VAL 52 -7.585 0.807 0.240 371 HG23 VAL 52 3HG2 VAL 52 -8.373 1.753 1.503 372 H LYS 53 H LYS 53 -8.322 -3.039 2.177 373 HA LYS 53 HA LYS 53 -6.835 -3.899 4.501 374 HB2 LYS 53 1HB LYS 53 -9.445 -4.699 3.250 375 HB3 LYS 53 2HB LYS 53 -8.718 -5.687 4.510 376 HG2 LYS 53 1HG LYS 53 -10.182 -4.315 5.670 377 HG3 LYS 53 2HG LYS 53 -8.622 -3.514 5.876 378 HD2 LYS 53 1HD LYS 53 -9.247 -2.107 3.854 379 HD3 LYS 53 2HD LYS 53 -10.878 -2.758 4.033 380 HE2 LYS 53 1HE LYS 53 -10.913 -1.903 6.357 381 HE3 LYS 53 2HE LYS 53 -9.331 -1.176 6.084 382 HZ1 LYS 53 1HZ LYS 53 -11.261 0.355 5.803 383 HZ2 LYS 53 2HZ LYS 53 -11.718 -0.542 4.444 384 HZ3 LYS 53 3HZ LYS 53 -10.235 0.270 4.460 385 H GLU 54 H GLU 54 -8.042 -5.589 1.595 386 HA GLU 54 HA GLU 54 -6.824 -7.990 1.820 387 HB2 GLU 54 1HB GLU 54 -7.428 -6.261 -0.529 388 HB3 GLU 54 2HB GLU 54 -6.430 -7.683 -0.795 389 HG2 GLU 54 1HG GLU 54 -8.466 -8.594 -1.175 390 HG3 GLU 54 2HG GLU 54 -8.366 -8.856 0.565 391 H PHE 55 H PHE 55 -5.287 -5.218 0.179 392 HA PHE 55 HA PHE 55 -2.845 -6.176 -0.412 393 HB2 PHE 55 1HB PHE 55 -3.600 -3.819 -0.745 394 HB3 PHE 55 2HB PHE 55 -3.260 -3.511 0.954 395 HD1 PHE 55 HD1 PHE 55 -1.384 -5.329 -1.707 396 HD2 PHE 55 HD2 PHE 55 -1.417 -2.154 1.127 397 HE1 PHE 55 HE1 PHE 55 0.951 -4.801 -2.277 398 HE2 PHE 55 HE2 PHE 55 0.917 -1.620 0.561 399 HZ PHE 55 HZ PHE 55 2.104 -2.943 -1.143 400 H LEU 56 H LEU 56 -3.787 -4.990 2.804 401 HA LEU 56 HA LEU 56 -1.324 -5.461 4.067 402 HB2 LEU 56 1HB LEU 56 -4.007 -5.645 5.418 403 HB3 LEU 56 2HB LEU 56 -2.476 -5.169 6.127 404 HG LEU 56 HG LEU 56 -3.813 -3.548 3.971 405 HD11 LEU 56 1HD1 LEU 56 -5.368 -2.891 5.406 406 HD12 LEU 56 2HD1 LEU 56 -4.694 -3.932 6.660 407 HD13 LEU 56 3HD1 LEU 56 -4.099 -2.283 6.469 408 HD21 LEU 56 1HD2 LEU 56 -2.432 -1.774 5.296 409 HD22 LEU 56 2HD2 LEU 56 -1.518 -3.178 5.843 410 HD23 LEU 56 3HD2 LEU 56 -1.634 -2.819 4.121 411 H ASN 57 H ASN 57 -4.291 -7.440 4.078 412 HA ASN 57 HA ASN 57 -3.455 -9.574 5.568 413 HB2 ASN 57 1HB ASN 57 -5.721 -9.142 4.381 414 HB3 ASN 57 2HB ASN 57 -5.012 -10.031 3.036 415 HD21 ASN 57 1HD2 ASN 57 -7.228 -11.028 4.127 416 HD22 ASN 57 2HD2 ASN 57 -6.882 -12.434 5.070 417 H GLU 58 H GLU 58 -2.807 -8.972 2.143 418 HA GLU 58 HA GLU 58 -1.596 -11.398 1.501 419 HB2 GLU 58 1HB GLU 58 -1.519 -8.642 0.406 420 HB3 GLU 58 2HB GLU 58 -0.218 -9.719 -0.081 421 HG2 GLU 58 1HG GLU 58 -3.169 -10.153 -0.464 422 HG3 GLU 58 2HG GLU 58 -1.969 -9.813 -1.710 423 H GLY 59 H GLY 59 -0.350 -8.606 3.201 424 HA2 GLY 59 1HA GLY 59 2.391 -9.521 3.102 425 HA3 GLY 59 2HA GLY 59 1.783 -8.132 3.991 426 H GLY 60 H GLY 60 -0.290 -9.676 5.362 427 HA2 GLY 60 1HA GLY 60 -0.022 -11.784 6.783 428 HA3 GLY 60 2HA GLY 60 1.473 -11.022 7.304 429 H ARG 61 H ARG 61 -0.858 -8.691 6.742 430 HA ARG 61 HA ARG 61 -1.806 -8.761 9.523 431 HB2 ARG 61 1HB ARG 61 -0.347 -6.574 8.109 432 HB3 ARG 61 2HB ARG 61 -1.598 -6.135 9.264 433 HG2 ARG 61 1HG ARG 61 -0.453 -7.276 11.032 434 HG3 ARG 61 2HG ARG 61 0.731 -7.930 9.899 435 HD2 ARG 61 1HD ARG 61 1.275 -5.494 9.346 436 HD3 ARG 61 2HD ARG 61 0.368 -5.089 10.802 437 HE ARG 61 HE ARG 61 2.435 -7.061 11.192 438 HH11 ARG 61 1HH1 ARG 61 1.644 -3.671 11.165 439 HH12 ARG 61 2HH1 ARG 61 2.962 -3.222 12.195 440 HH21 ARG 61 1HH2 ARG 61 4.175 -6.482 12.549 441 HH22 ARG 61 2HH2 ARG 61 4.402 -4.821 12.981 442 H ALA 62 H ALA 62 -3.908 -9.221 9.178 443 HA ALA 62 HA ALA 62 -5.374 -7.617 7.195 444 HB1 ALA 62 1HB ALA 62 -7.131 -9.387 7.413 445 HB2 ALA 62 2HB ALA 62 -5.597 -9.947 6.746 446 HB3 ALA 62 3HB ALA 62 -6.005 -10.292 8.426 447 H THR 63 H THR 63 -5.299 -8.609 10.563 448 HA THR 63 HA THR 63 -7.773 -7.412 11.300 449 HB THR 63 HB THR 63 -6.916 -7.620 13.640 450 HG1 THR 63 HG1 THR 63 -4.663 -7.365 13.072 451 HG21 THR 63 1HG2 THR 63 -8.073 -9.518 13.103 452 HG22 THR 63 2HG2 THR 63 -6.473 -10.223 13.338 453 HG23 THR 63 3HG2 THR 63 -7.054 -9.876 11.709 454 H SER 64 H SER 64 -4.436 -6.303 11.211 455 HA SER 64 HA SER 64 -4.593 -4.000 12.725 456 HB2 SER 64 1HB SER 64 -2.952 -4.802 10.356 457 HB3 SER 64 2HB SER 64 -2.877 -3.131 10.914 458 HG SER 64 HG SER 64 -1.317 -4.627 11.870 459 H LYS 65 H LYS 65 -6.011 -2.402 12.615 460 HA LYS 65 HA LYS 65 -7.572 -1.852 10.300 461 HB2 LYS 65 1HB LYS 65 -8.177 -1.469 12.773 462 HB3 LYS 65 2HB LYS 65 -7.250 0.019 12.635 463 HG2 LYS 65 1HG LYS 65 -8.733 0.906 11.024 464 HG3 LYS 65 2HG LYS 65 -9.527 -0.653 10.793 465 HD2 LYS 65 1HD LYS 65 -9.526 0.715 13.464 466 HD3 LYS 65 2HD LYS 65 -10.717 1.122 12.227 467 HE2 LYS 65 1HE LYS 65 -10.275 -1.743 12.919 468 HE3 LYS 65 2HE LYS 65 -11.203 -0.734 14.028 469 HZ1 LYS 65 1HZ LYS 65 -12.806 -0.306 12.390 470 HZ2 LYS 65 2HZ LYS 65 -12.500 -1.965 12.271 471 HZ3 LYS 65 3HZ LYS 65 -11.832 -0.899 11.140 472 H ASP 66 H ASP 66 -5.209 0.183 12.038 473 HA ASP 66 HA ASP 66 -5.045 2.239 10.197 474 HB2 ASP 66 1HB ASP 66 -2.647 1.247 11.729 475 HB3 ASP 66 2HB ASP 66 -3.042 2.901 11.269 476 H TRP 67 H TRP 67 -4.761 1.968 8.076 477 HA TRP 67 HA TRP 67 -2.897 -0.049 7.097 478 HB2 TRP 67 1HB TRP 67 -3.817 0.568 4.856 479 HB3 TRP 67 2HB TRP 67 -5.038 0.004 5.993 480 HD1 TRP 67 HD1 TRP 67 -6.696 1.905 7.034 481 HE1 TRP 67 HE1 TRP 67 -7.472 4.155 6.053 482 HE3 TRP 67 HE3 TRP 67 -3.120 2.496 3.428 483 HZ2 TRP 67 HZ2 TRP 67 -6.675 5.943 4.020 484 HZ3 TRP 67 HZ3 TRP 67 -3.199 4.504 2.007 485 HH2 TRP 67 HH2 TRP 67 -4.940 6.190 2.299 486 H LYS 68 H LYS 68 -3.228 3.408 7.378 487 HA LYS 68 HA LYS 68 -1.216 4.152 5.534 488 HB2 LYS 68 1HB LYS 68 -2.362 5.561 7.946 489 HB3 LYS 68 2HB LYS 68 -1.189 6.303 6.865 490 HG2 LYS 68 1HG LYS 68 -2.736 6.093 5.006 491 HG3 LYS 68 2HG LYS 68 -3.907 5.287 6.053 492 HD2 LYS 68 1HD LYS 68 -3.983 7.323 7.462 493 HD3 LYS 68 2HD LYS 68 -2.898 8.120 6.320 494 HE2 LYS 68 1HE LYS 68 -4.512 8.068 4.601 495 HE3 LYS 68 2HE LYS 68 -5.518 6.912 5.474 496 HZ1 LYS 68 1HZ LYS 68 -6.068 8.587 7.075 497 HZ2 LYS 68 2HZ LYS 68 -6.384 9.202 5.531 498 HZ3 LYS 68 3HZ LYS 68 -5.000 9.695 6.371 499 H GLY 69 H GLY 69 -1.131 2.996 8.809 500 HA2 GLY 69 1HA GLY 69 1.593 3.856 9.275 501 HA3 GLY 69 2HA GLY 69 0.610 2.868 10.346 502 H VAL 70 H VAL 70 -0.059 0.772 8.667 503 HA VAL 70 HA VAL 70 2.285 -0.816 8.817 504 HB VAL 70 HB VAL 70 0.949 -2.572 7.726 505 HG11 VAL 70 1HG1 VAL 70 -0.934 -2.591 9.422 506 HG12 VAL 70 2HG1 VAL 70 0.701 -2.447 10.070 507 HG13 VAL 70 3HG1 VAL 70 -0.334 -1.023 9.961 508 HG21 VAL 70 1HG2 VAL 70 -0.378 -1.567 6.126 509 HG22 VAL 70 2HG2 VAL 70 -1.549 -1.902 7.402 510 HG23 VAL 70 3HG2 VAL 70 -0.893 -0.276 7.212 511 H ILE 71 H ILE 71 0.572 0.729 6.140 512 HA ILE 71 HA ILE 71 2.330 -0.367 4.143 513 HB ILE 71 HB ILE 71 0.354 1.903 3.886 514 HG12 ILE 71 1HG1 ILE 71 0.007 -1.031 3.231 515 HG13 ILE 71 2HG1 ILE 71 -0.675 -0.229 4.642 516 HG21 ILE 71 1HG2 ILE 71 2.336 1.053 2.131 517 HG22 ILE 71 2HG2 ILE 71 0.852 0.330 1.516 518 HG23 ILE 71 3HG2 ILE 71 0.950 2.075 1.749 519 HD11 ILE 71 1HD1 ILE 71 -1.348 1.098 2.144 520 HD12 ILE 71 2HD1 ILE 71 -1.916 -0.570 2.229 521 HD13 ILE 71 3HD1 ILE 71 -2.383 0.586 3.477 522 H ARG 72 H ARG 72 4.106 0.529 3.258 523 HA ARG 72 HA ARG 72 4.857 3.235 4.151 524 HB2 ARG 72 1HB ARG 72 6.786 0.982 3.587 525 HB3 ARG 72 2HB ARG 72 7.155 2.554 4.283 526 HG2 ARG 72 1HG ARG 72 5.624 1.889 6.201 527 HG3 ARG 72 2HG ARG 72 5.699 0.254 5.541 528 HD2 ARG 72 1HD ARG 72 8.162 0.338 5.711 529 HD3 ARG 72 2HD ARG 72 8.033 1.932 6.453 530 HE ARG 72 HE ARG 72 6.505 -0.053 7.833 531 HH11 ARG 72 1HH1 ARG 72 9.690 1.295 7.441 532 HH12 ARG 72 2HH1 ARG 72 10.228 0.819 9.018 533 HH21 ARG 72 1HH2 ARG 72 7.200 -0.685 9.911 534 HH22 ARG 72 2HH2 ARG 72 8.811 -0.308 10.422 535 H CYS 73 H CYS 73 5.539 4.644 2.629 536 HA CYS 73 HA CYS 73 5.830 3.623 -0.120 537 HB2 CYS 73 1HB CYS 73 3.755 4.865 0.069 538 HB3 CYS 73 2HB CYS 73 4.594 6.221 0.811 539 HG CYS 73 HG CYS 73 6.232 6.170 -1.784 540 H ASN 74 H ASN 74 7.928 3.686 -0.602 541 HA ASN 74 HA ASN 74 10.008 4.506 -1.030 542 HB2 ASN 74 1HB ASN 74 8.892 7.212 -0.269 543 HB3 ASN 74 2HB ASN 74 10.338 6.894 -1.223 544 HD21 ASN 74 1HD2 ASN 74 9.652 5.135 -3.047 545 HD22 ASN 74 2HD2 ASN 74 8.355 5.702 -4.038 546 H GLY 75 H GLY 75 9.255 3.546 1.594 547 HA2 GLY 75 1HA GLY 75 10.556 3.202 3.501 548 HA3 GLY 75 2HA GLY 75 11.531 4.595 3.057 549 H GLU 76 H GLU 76 8.627 5.849 2.735 550 HA GLU 76 HA GLU 76 8.431 6.614 5.574 551 HB2 GLU 76 1HB GLU 76 8.240 8.203 3.057 552 HB3 GLU 76 2HB GLU 76 7.256 8.697 4.428 553 HG2 GLU 76 1HG GLU 76 9.057 9.319 5.680 554 HG3 GLU 76 2HG GLU 76 10.143 8.179 4.887 555 H THR 77 H THR 77 6.576 6.210 6.583 556 HA THR 77 HA THR 77 4.502 4.741 5.406 557 HB THR 77 HB THR 77 3.228 5.170 7.472 558 HG1 THR 77 HG1 THR 77 4.326 6.493 9.087 559 HG21 THR 77 1HG2 THR 77 4.625 3.960 8.901 560 HG22 THR 77 2HG2 THR 77 6.085 4.727 8.277 561 HG23 THR 77 3HG2 THR 77 5.222 3.543 7.296 562 H LEU 78 H LEU 78 2.491 5.273 4.643 563 HA LEU 78 HA LEU 78 2.044 7.470 3.147 564 HB2 LEU 78 1HB LEU 78 -0.063 6.054 4.782 565 HB3 LEU 78 2HB LEU 78 -0.369 7.067 3.384 566 HG LEU 78 HG LEU 78 1.259 4.530 3.277 567 HD11 LEU 78 1HD1 LEU 78 -0.985 3.899 1.967 568 HD12 LEU 78 2HD1 LEU 78 -0.743 3.565 3.682 569 HD13 LEU 78 3HD1 LEU 78 -1.656 4.987 3.182 570 HD21 LEU 78 1HD2 LEU 78 1.411 6.477 1.527 571 HD22 LEU 78 2HD2 LEU 78 1.332 4.796 1.000 572 HD23 LEU 78 3HD2 LEU 78 -0.116 5.801 0.960 573 H ARG 79 H ARG 79 1.239 7.170 6.590 574 HA ARG 79 HA ARG 79 -0.002 9.630 6.954 575 HB2 ARG 79 1HB ARG 79 0.072 7.820 8.643 576 HB3 ARG 79 2HB ARG 79 1.771 8.177 8.924 577 HG2 ARG 79 1HG ARG 79 0.848 10.591 9.400 578 HG3 ARG 79 2HG ARG 79 -0.648 9.710 9.716 579 HD2 ARG 79 1HD ARG 79 1.899 8.767 10.953 580 HD3 ARG 79 2HD ARG 79 1.072 10.163 11.641 581 HE ARG 79 HE ARG 79 0.315 7.445 11.912 582 HH11 ARG 79 1HH1 ARG 79 -0.998 10.649 11.553 583 HH12 ARG 79 2HH1 ARG 79 -2.482 10.274 12.365 584 HH21 ARG 79 1HH2 ARG 79 -1.634 6.938 12.983 585 HH22 ARG 79 2HH2 ARG 79 -2.842 8.163 13.180 586 H HIS 80 H HIS 80 3.434 8.795 7.041 587 HA HIS 80 HA HIS 80 4.411 11.275 7.911 588 HB2 HIS 80 1HB HIS 80 5.635 9.006 7.630 589 HB3 HIS 80 2HB HIS 80 5.916 9.537 5.974 590 HD1 HIS 80 HD1 HIS 80 7.155 9.922 9.404 591 HD2 HIS 80 HD2 HIS 80 7.526 11.931 5.785 592 HE1 HIS 80 HE1 HIS 80 9.137 11.446 9.680 593 HE2 HIS 80 HE2 HIS 80 9.289 12.713 7.509 594 H LEU 81 H LEU 81 3.966 10.008 4.618 595 HA LEU 81 HA LEU 81 4.881 12.321 3.288 596 HB2 LEU 81 1HB LEU 81 2.910 10.266 2.287 597 HB3 LEU 81 2HB LEU 81 3.843 11.376 1.301 598 HG LEU 81 HG LEU 81 5.039 9.196 3.014 599 HD11 LEU 81 1HD1 LEU 81 4.297 9.289 0.108 600 HD12 LEU 81 2HD1 LEU 81 5.558 8.216 0.716 601 HD13 LEU 81 3HD1 LEU 81 3.906 8.062 1.312 602 HD21 LEU 81 1HD2 LEU 81 6.931 9.786 1.237 603 HD22 LEU 81 2HD2 LEU 81 6.145 11.362 1.321 604 HD23 LEU 81 3HD2 LEU 81 6.792 10.621 2.784 605 H GLU 82 H GLU 82 1.664 11.277 4.317 606 HA GLU 82 HA GLU 82 0.148 13.258 3.073 607 HB2 GLU 82 1HB GLU 82 -0.945 11.381 4.089 608 HB3 GLU 82 2HB GLU 82 -0.287 11.782 5.669 609 HG2 GLU 82 1HG GLU 82 -1.599 14.013 5.323 610 HG3 GLU 82 2HG GLU 82 -2.522 13.053 4.168 611 H GLN 83 H GLN 83 1.785 13.273 6.212 612 HA GLN 83 HA GLN 83 0.835 15.707 7.176 613 HB2 GLN 83 1HB GLN 83 3.438 14.255 7.613 614 HB3 GLN 83 2HB GLN 83 3.057 15.759 8.441 615 HG2 GLN 83 1HG GLN 83 1.028 14.685 9.362 616 HG3 GLN 83 2HG GLN 83 1.536 13.170 8.618 617 HE21 GLN 83 1HE2 GLN 83 1.864 12.013 10.448 618 HE22 GLN 83 2HE2 GLN 83 3.076 12.385 11.621 619 H LYS 84 H LYS 84 3.461 15.004 4.945 620 HA LYS 84 HA LYS 84 4.350 17.746 4.840 621 HB2 LYS 84 1HB LYS 84 5.079 15.274 3.274 622 HB3 LYS 84 2HB LYS 84 5.755 16.856 2.911 623 HG2 LYS 84 1HG LYS 84 6.991 16.925 4.848 624 HG3 LYS 84 2HG LYS 84 5.932 15.792 5.690 625 HD2 LYS 84 1HD LYS 84 7.860 14.545 5.263 626 HD3 LYS 84 2HD LYS 84 6.753 14.063 3.976 627 HE2 LYS 84 1HE LYS 84 7.858 15.470 2.399 628 HE3 LYS 84 2HE LYS 84 8.823 16.228 3.665 629 HZ1 LYS 84 1HZ LYS 84 9.288 13.791 2.237 630 HZ2 LYS 84 2HZ LYS 84 9.384 13.577 3.912 631 HZ3 LYS 84 3HZ LYS 84 10.362 14.727 3.150 632 H GLY 85 H GLY 85 1.594 16.506 3.848 633 HA2 GLY 85 1HA GLY 85 0.016 17.178 2.319 634 HA3 GLY 85 2HA GLY 85 1.065 18.541 1.957 635 H LEU 86 H LEU 86 2.064 15.202 1.607 636 HA LEU 86 HA LEU 86 2.371 15.665 -1.271 637 HB2 LEU 86 1HB LEU 86 3.508 13.400 0.361 638 HB3 LEU 86 2HB LEU 86 3.969 13.878 -1.262 639 HG LEU 86 HG LEU 86 4.363 15.672 1.125 640 HD11 LEU 86 1HD1 LEU 86 6.765 14.439 0.093 641 HD12 LEU 86 2HD1 LEU 86 6.188 14.575 1.754 642 HD13 LEU 86 3HD1 LEU 86 5.640 13.243 0.736 643 HD21 LEU 86 1HD2 LEU 86 4.360 16.721 -1.105 644 HD22 LEU 86 2HD2 LEU 86 5.936 16.810 -0.319 645 HD23 LEU 86 3HD2 LEU 86 5.656 15.630 -1.599 646 H LEU 87 H LEU 87 0.907 13.472 1.057 647 HA LEU 87 HA LEU 87 -0.348 11.982 -1.142 648 HB2 LEU 87 1HB LEU 87 0.943 10.800 0.713 649 HB3 LEU 87 2HB LEU 87 -0.380 11.241 1.776 650 HG LEU 87 HG LEU 87 -1.911 10.019 0.143 651 HD11 LEU 87 1HD1 LEU 87 0.598 9.735 -1.220 652 HD12 LEU 87 2HD1 LEU 87 -0.062 8.150 -0.817 653 HD13 LEU 87 3HD1 LEU 87 -1.024 9.293 -1.753 654 HD21 LEU 87 1HD2 LEU 87 0.149 8.668 1.853 655 HD22 LEU 87 2HD2 LEU 87 -1.548 8.987 2.207 656 HD23 LEU 87 3HD2 LEU 87 -1.111 7.752 1.027 657 H PHE 88 H PHE 88 -2.314 12.615 -1.699 658 HA PHE 88 HA PHE 88 -3.893 14.455 -0.365 659 HB2 PHE 88 1HB PHE 88 -5.538 14.035 -1.963 660 HB3 PHE 88 2HB PHE 88 -4.069 13.515 -2.782 661 HD1 PHE 88 HD1 PHE 88 -3.501 10.905 -1.977 662 HD2 PHE 88 HD2 PHE 88 -7.329 12.705 -2.455 663 HE1 PHE 88 HE1 PHE 88 -4.494 8.685 -2.352 664 HE2 PHE 88 HE2 PHE 88 -8.328 10.488 -2.830 665 HZ PHE 88 HZ PHE 88 -6.911 8.475 -2.778 666 H SER 89 H SER 89 -3.792 10.959 -0.062 667 HA SER 89 HA SER 89 -4.826 9.498 1.349 668 HB2 SER 89 1HB SER 89 -4.649 11.951 3.107 669 HB3 SER 89 2HB SER 89 -5.159 10.370 3.701 670 HG SER 89 HG SER 89 -2.868 10.871 3.936 671 H GLY 90 H GLY 90 -6.572 10.548 -0.487 672 HA2 GLY 90 1HA GLY 90 -8.835 10.593 -0.894 673 HA3 GLY 90 2HA GLY 90 -9.076 10.078 0.769 674 HA PRO 91 HA PRO 91 -10.801 14.339 0.407 675 HB2 PRO 91 1HB PRO 91 -12.991 13.818 1.923 676 HB3 PRO 91 2HB PRO 91 -12.927 13.497 0.186 677 HG2 PRO 91 1HG PRO 91 -12.557 11.605 2.476 678 HG3 PRO 91 2HG PRO 91 -13.464 11.375 0.970 679 HD2 PRO 91 1HD PRO 91 -10.984 10.354 1.348 680 HD3 PRO 91 2HD PRO 91 -11.568 10.881 -0.244 681 H SER 92 H SER 92 -10.999 15.951 2.019 682 HA SER 92 HA SER 92 -9.542 15.314 4.468 683 HB2 SER 92 1HB SER 92 -8.726 17.216 3.181 684 HB3 SER 92 2HB SER 92 -10.317 17.975 3.248 685 HG SER 92 HG SER 92 -9.941 17.748 5.661 686 H SER 93 H SER 93 -10.523 15.074 6.358 687 HA SER 93 HA SER 93 -13.364 15.483 6.583 688 HB2 SER 93 1HB SER 93 -13.096 14.522 8.838 689 HB3 SER 93 2HB SER 93 -12.312 13.522 7.615 690 HG SER 93 HG SER 93 -10.331 14.602 8.207 691 H GLY 94 H GLY 94 -14.415 16.813 8.123 692 HA2 GLY 94 1HA GLY 94 -14.747 18.721 9.361 693 HA3 GLY 94 2HA GLY 94 -13.042 18.656 9.784 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 10.356 -4.629 -15.516 2 HA2 GLY 1 1HA GLY 1 8.359 -3.785 -14.275 3 HA3 GLY 1 2HA GLY 1 9.257 -4.160 -12.812 4 H SER 2 H SER 2 10.899 -2.797 -12.127 5 HA SER 2 HA SER 2 10.786 -0.118 -13.284 6 HB2 SER 2 1HB SER 2 10.459 -0.464 -10.822 7 HB3 SER 2 2HB SER 2 12.133 -1.007 -10.724 8 HG SER 2 HG SER 2 12.124 1.155 -10.250 9 H SER 3 H SER 3 12.924 1.132 -13.176 10 HA SER 3 HA SER 3 14.898 -0.426 -14.653 11 HB2 SER 3 1HB SER 3 14.254 1.635 -15.709 12 HB3 SER 3 2HB SER 3 14.553 2.549 -14.231 13 HG SER 3 HG SER 3 16.239 2.156 -16.159 14 H GLY 4 H GLY 4 14.902 1.953 -11.990 15 HA2 GLY 4 1HA GLY 4 16.161 0.894 -9.984 16 HA3 GLY 4 2HA GLY 4 17.497 0.877 -11.125 17 H SER 5 H SER 5 17.887 3.085 -12.200 18 HA SER 5 HA SER 5 18.374 4.961 -10.087 19 HB2 SER 5 1HB SER 5 18.944 4.957 -13.046 20 HB3 SER 5 2HB SER 5 19.271 6.371 -12.044 21 HG SER 5 HG SER 5 21.053 4.839 -12.323 22 H SER 6 H SER 6 16.649 5.269 -13.196 23 HA SER 6 HA SER 6 15.181 7.554 -12.126 24 HB2 SER 6 1HB SER 6 14.473 7.958 -14.414 25 HB3 SER 6 2HB SER 6 16.217 7.697 -14.386 26 HG SER 6 HG SER 6 14.213 6.171 -15.518 27 H GLY 7 H GLY 7 12.798 7.617 -13.077 28 HA2 GLY 7 1HA GLY 7 11.546 5.061 -12.284 29 HA3 GLY 7 2HA GLY 7 10.851 6.639 -11.944 30 H ASN 8 H ASN 8 8.909 6.010 -12.977 31 HA ASN 8 HA ASN 8 8.965 5.319 -15.784 32 HB2 ASN 8 1HB ASN 8 7.278 4.251 -14.445 33 HB3 ASN 8 2HB ASN 8 6.698 5.802 -13.845 34 HD21 ASN 8 1HD2 ASN 8 7.402 4.396 -17.031 35 HD22 ASN 8 2HD2 ASN 8 5.896 4.845 -17.748 36 H ASP 9 H ASP 9 8.011 6.555 -17.456 37 HA ASP 9 HA ASP 9 8.157 9.443 -16.968 38 HB2 ASP 9 1HB ASP 9 8.476 7.742 -19.425 39 HB3 ASP 9 2HB ASP 9 8.142 9.466 -19.563 40 H ALA 10 H ALA 10 5.916 6.970 -17.407 41 HA ALA 10 HA ALA 10 3.909 8.258 -18.905 42 HB1 ALA 10 1HB ALA 10 2.819 6.334 -18.636 43 HB2 ALA 10 2HB ALA 10 4.233 5.770 -17.745 44 HB3 ALA 10 3HB ALA 10 2.864 6.466 -16.878 45 H VAL 11 H VAL 11 1.999 9.303 -18.237 46 HA VAL 11 HA VAL 11 2.346 11.096 -16.042 47 HB VAL 11 HB VAL 11 0.062 11.895 -16.622 48 HG11 VAL 11 1HG1 VAL 11 1.734 13.061 -17.728 49 HG12 VAL 11 2HG1 VAL 11 2.209 11.664 -18.696 50 HG13 VAL 11 3HG1 VAL 11 0.705 12.515 -19.051 51 HG21 VAL 11 1HG2 VAL 11 0.096 10.088 -19.000 52 HG22 VAL 11 2HG2 VAL 11 -0.554 9.504 -17.469 53 HG23 VAL 11 3HG2 VAL 11 -1.262 10.921 -18.243 54 H ASP 12 H ASP 12 0.693 8.076 -16.515 55 HA ASP 12 HA ASP 12 -1.180 8.179 -14.448 56 HB2 ASP 12 1HB ASP 12 -0.990 6.401 -16.227 57 HB3 ASP 12 2HB ASP 12 0.345 5.715 -15.306 58 H PHE 13 H PHE 13 2.181 8.244 -14.269 59 HA PHE 13 HA PHE 13 2.583 6.826 -11.841 60 HB2 PHE 13 1HB PHE 13 4.542 7.106 -13.065 61 HB3 PHE 13 2HB PHE 13 4.191 8.792 -13.431 62 HD1 PHE 13 HD1 PHE 13 5.432 6.467 -10.874 63 HD2 PHE 13 HD2 PHE 13 4.827 10.543 -11.940 64 HE1 PHE 13 HE1 PHE 13 6.881 7.166 -9.012 65 HE2 PHE 13 HE2 PHE 13 6.275 11.248 -10.081 66 HZ PHE 13 HZ PHE 13 7.305 9.559 -8.614 67 H SER 14 H SER 14 1.540 10.043 -12.616 68 HA SER 14 HA SER 14 2.111 11.279 -10.138 69 HB2 SER 14 1HB SER 14 0.453 11.908 -12.515 70 HB3 SER 14 2HB SER 14 -0.001 12.714 -11.014 71 HG SER 14 HG SER 14 2.702 12.683 -11.692 72 HA PRO 15 HA PRO 15 -2.475 10.319 -8.970 73 HB2 PRO 15 1HB PRO 15 -3.851 8.631 -10.590 74 HB3 PRO 15 2HB PRO 15 -3.818 10.381 -10.833 75 HG2 PRO 15 1HG PRO 15 -2.232 8.247 -12.208 76 HG3 PRO 15 2HG PRO 15 -3.031 9.669 -12.902 77 HD2 PRO 15 1HD PRO 15 -0.370 9.590 -12.410 78 HD3 PRO 15 2HD PRO 15 -1.319 11.086 -12.293 79 H THR 16 H THR 16 0.004 8.278 -9.693 80 HA THR 16 HA THR 16 -1.109 6.148 -7.989 81 HB THR 16 HB THR 16 0.185 4.482 -9.219 82 HG1 THR 16 HG1 THR 16 1.639 6.400 -10.021 83 HG21 THR 16 1HG2 THR 16 -1.569 6.190 -10.987 84 HG22 THR 16 2HG2 THR 16 -2.088 4.852 -9.963 85 HG23 THR 16 3HG2 THR 16 -1.061 4.545 -11.362 86 H LEU 17 H LEU 17 0.240 5.283 -6.444 87 HA LEU 17 HA LEU 17 2.966 6.359 -6.266 88 HB2 LEU 17 1HB LEU 17 1.099 6.187 -3.905 89 HB3 LEU 17 2HB LEU 17 2.716 6.865 -3.931 90 HG LEU 17 HG LEU 17 0.370 8.014 -5.444 91 HD11 LEU 17 1HD1 LEU 17 0.737 8.053 -2.713 92 HD12 LEU 17 2HD1 LEU 17 1.445 9.578 -3.246 93 HD13 LEU 17 3HD1 LEU 17 -0.227 9.193 -3.653 94 HD21 LEU 17 1HD2 LEU 17 1.744 9.760 -6.068 95 HD22 LEU 17 2HD2 LEU 17 2.901 9.452 -4.774 96 HD23 LEU 17 3HD2 LEU 17 2.841 8.383 -6.174 97 HA PRO 18 HA PRO 18 4.006 2.152 -5.471 98 HB2 PRO 18 1HB PRO 18 6.465 2.542 -4.389 99 HB3 PRO 18 2HB PRO 18 6.136 2.720 -6.116 100 HG2 PRO 18 1HG PRO 18 6.355 4.828 -4.002 101 HG3 PRO 18 2HG PRO 18 7.009 4.824 -5.651 102 HD2 PRO 18 1HD PRO 18 4.746 6.153 -4.984 103 HD3 PRO 18 2HD PRO 18 4.992 5.430 -6.587 104 H VAL 19 H VAL 19 3.133 0.986 -3.884 105 HA VAL 19 HA VAL 19 3.692 1.763 -1.096 106 HB VAL 19 HB VAL 19 1.473 0.884 -0.463 107 HG11 VAL 19 1HG1 VAL 19 1.453 3.101 -2.507 108 HG12 VAL 19 2HG1 VAL 19 0.146 2.763 -1.370 109 HG13 VAL 19 3HG1 VAL 19 1.729 3.265 -0.774 110 HG21 VAL 19 1HG2 VAL 19 1.266 -0.600 -2.482 111 HG22 VAL 19 2HG2 VAL 19 -0.183 0.318 -2.074 112 HG23 VAL 19 3HG2 VAL 19 0.845 0.841 -3.408 113 H THR 20 H THR 20 4.000 0.093 0.384 114 HA THR 20 HA THR 20 3.963 -2.656 -0.598 115 HB THR 20 HB THR 20 6.263 -3.050 0.342 116 HG1 THR 20 HG1 THR 20 6.059 -0.716 1.321 117 HG21 THR 20 1HG2 THR 20 7.446 -2.028 -1.622 118 HG22 THR 20 2HG2 THR 20 5.939 -1.203 -2.021 119 HG23 THR 20 3HG2 THR 20 6.011 -2.965 -2.035 120 H CYS 21 H CYS 21 3.221 -4.010 0.907 121 HA CYS 21 HA CYS 21 3.348 -3.169 3.727 122 HB2 CYS 21 1HB CYS 21 1.059 -2.958 2.781 123 HB3 CYS 21 2HB CYS 21 1.083 -4.676 2.407 124 HG CYS 21 HG CYS 21 1.674 -3.835 5.620 125 H GLY 22 H GLY 22 4.945 -4.431 4.510 126 HA2 GLY 22 1HA GLY 22 6.089 -6.321 5.137 127 HA3 GLY 22 2HA GLY 22 4.516 -7.105 5.122 128 H LYS 23 H LYS 23 4.185 -8.680 3.690 129 HA LYS 23 HA LYS 23 6.269 -9.176 1.700 130 HB2 LYS 23 1HB LYS 23 3.982 -11.019 2.362 131 HB3 LYS 23 2HB LYS 23 5.538 -11.423 1.648 132 HG2 LYS 23 1HG LYS 23 5.252 -10.374 4.449 133 HG3 LYS 23 2HG LYS 23 5.208 -12.094 4.052 134 HD2 LYS 23 1HD LYS 23 7.475 -10.420 3.066 135 HD3 LYS 23 2HD LYS 23 7.458 -10.947 4.751 136 HE2 LYS 23 1HE LYS 23 8.649 -12.626 3.663 137 HE3 LYS 23 2HE LYS 23 7.022 -13.293 3.795 138 HZ1 LYS 23 1HZ LYS 23 8.372 -13.305 1.539 139 HZ2 LYS 23 2HZ LYS 23 7.651 -11.783 1.378 140 HZ3 LYS 23 3HZ LYS 23 6.686 -13.159 1.574 141 H ALA 24 H ALA 24 3.875 -7.232 1.569 142 HA ALA 24 HA ALA 24 2.831 -8.179 -1.021 143 HB1 ALA 24 1HB ALA 24 1.344 -7.615 1.181 144 HB2 ALA 24 2HB ALA 24 1.308 -6.070 0.331 145 HB3 ALA 24 3HB ALA 24 0.752 -7.535 -0.478 146 H LYS 25 H LYS 25 2.935 -6.839 -2.764 147 HA LYS 25 HA LYS 25 3.890 -4.098 -2.378 148 HB2 LYS 25 1HB LYS 25 5.145 -6.002 -4.360 149 HB3 LYS 25 2HB LYS 25 5.616 -4.335 -4.058 150 HG2 LYS 25 1HG LYS 25 6.308 -4.942 -1.793 151 HG3 LYS 25 2HG LYS 25 5.846 -6.617 -2.105 152 HD2 LYS 25 1HD LYS 25 8.181 -6.520 -2.440 153 HD3 LYS 25 2HD LYS 25 7.467 -6.554 -4.054 154 HE2 LYS 25 1HE LYS 25 7.574 -3.947 -3.820 155 HE3 LYS 25 2HE LYS 25 8.804 -4.309 -2.610 156 HZ1 LYS 25 1HZ LYS 25 10.086 -4.180 -4.467 157 HZ2 LYS 25 2HZ LYS 25 8.867 -4.726 -5.506 158 HZ3 LYS 25 3HZ LYS 25 9.703 -5.827 -4.531 159 H GLY 26 H GLY 26 2.900 -2.666 -3.671 160 HA2 GLY 26 1HA GLY 26 1.891 -3.403 -6.270 161 HA3 GLY 26 2HA GLY 26 0.626 -3.141 -5.078 162 H THR 27 H THR 27 -0.244 -1.323 -6.006 163 HA THR 27 HA THR 27 1.252 1.128 -5.577 164 HB THR 27 HB THR 27 0.172 0.399 -8.305 165 HG1 THR 27 HG1 THR 27 2.724 0.615 -7.167 166 HG21 THR 27 1HG2 THR 27 1.604 2.843 -8.338 167 HG22 THR 27 2HG2 THR 27 0.399 2.953 -7.054 168 HG23 THR 27 3HG2 THR 27 -0.100 2.572 -8.702 169 H LEU 28 H LEU 28 -0.033 2.792 -4.980 170 HA LEU 28 HA LEU 28 -2.900 2.247 -4.802 171 HB2 LEU 28 1HB LEU 28 -1.929 2.876 -2.726 172 HB3 LEU 28 2HB LEU 28 -1.093 4.238 -3.448 173 HG LEU 28 HG LEU 28 -3.593 5.007 -3.967 174 HD11 LEU 28 1HD1 LEU 28 -3.842 2.864 -1.992 175 HD12 LEU 28 2HD1 LEU 28 -4.622 4.376 -1.526 176 HD13 LEU 28 3HD1 LEU 28 -5.057 3.591 -3.044 177 HD21 LEU 28 1HD2 LEU 28 -1.641 5.529 -1.906 178 HD22 LEU 28 2HD2 LEU 28 -2.708 6.646 -2.754 179 HD23 LEU 28 3HD2 LEU 28 -3.282 5.797 -1.319 180 H PHE 29 H PHE 29 -4.419 3.379 -5.871 181 HA PHE 29 HA PHE 29 -3.483 5.529 -7.652 182 HB2 PHE 29 1HB PHE 29 -5.790 3.599 -7.953 183 HB3 PHE 29 2HB PHE 29 -5.506 4.964 -9.029 184 HD1 PHE 29 HD2 PHE 29 -3.465 2.198 -7.564 185 HD2 PHE 29 HD1 PHE 29 -4.563 4.406 -11.033 186 HE1 PHE 29 HE2 PHE 29 -1.958 0.807 -8.922 187 HE2 PHE 29 HE1 PHE 29 -3.059 3.017 -12.397 188 HZ PHE 29 HZ PHE 29 -1.752 1.216 -11.342 189 H GLN 30 H GLN 30 -3.856 7.386 -6.577 190 HA GLN 30 HA GLN 30 -5.659 8.020 -4.665 191 HB2 GLN 30 1HB GLN 30 -5.241 10.000 -6.871 192 HB3 GLN 30 2HB GLN 30 -5.283 10.265 -5.133 193 HG2 GLN 30 1HG GLN 30 -3.115 8.899 -5.072 194 HG3 GLN 30 2HG GLN 30 -3.058 9.177 -6.812 195 HE21 GLN 30 1HE2 GLN 30 -2.501 10.478 -3.717 196 HE22 GLN 30 2HE2 GLN 30 -1.988 12.051 -4.212 197 H GLU 31 H GLU 31 -6.276 8.050 -8.155 198 HA GLU 31 HA GLU 31 -8.856 9.089 -8.126 199 HB2 GLU 31 1HB GLU 31 -9.163 7.939 -10.288 200 HB3 GLU 31 2HB GLU 31 -7.624 8.784 -10.194 201 HG2 GLU 31 1HG GLU 31 -6.584 6.579 -9.565 202 HG3 GLU 31 2HG GLU 31 -8.121 5.830 -9.993 203 H LYS 32 H LYS 32 -7.727 5.793 -7.599 204 HA LYS 32 HA LYS 32 -10.426 4.764 -7.370 205 HB2 LYS 32 1HB LYS 32 -7.681 3.591 -7.299 206 HB3 LYS 32 2HB LYS 32 -8.998 2.688 -6.562 207 HG2 LYS 32 1HG LYS 32 -10.006 2.255 -8.555 208 HG3 LYS 32 2HG LYS 32 -9.408 3.736 -9.306 209 HD2 LYS 32 1HD LYS 32 -7.097 2.661 -9.186 210 HD3 LYS 32 2HD LYS 32 -7.942 1.154 -8.830 211 HE2 LYS 32 1HE LYS 32 -8.479 2.862 -11.255 212 HE3 LYS 32 2HE LYS 32 -7.375 1.487 -11.242 213 HZ1 LYS 32 1HZ LYS 32 -9.107 0.192 -11.645 214 HZ2 LYS 32 2HZ LYS 32 -10.179 1.494 -11.530 215 HZ3 LYS 32 3HZ LYS 32 -9.769 0.611 -10.146 216 H LEU 33 H LEU 33 -8.114 6.207 -5.339 217 HA LEU 33 HA LEU 33 -9.072 4.948 -2.907 218 HB2 LEU 33 1HB LEU 33 -6.672 5.646 -3.311 219 HB3 LEU 33 2HB LEU 33 -7.212 7.307 -3.153 220 HG LEU 33 HG LEU 33 -8.044 6.721 -0.848 221 HD11 LEU 33 1HD1 LEU 33 -8.273 4.449 -0.697 222 HD12 LEU 33 2HD1 LEU 33 -6.812 4.129 -1.631 223 HD13 LEU 33 3HD1 LEU 33 -6.687 4.660 0.046 224 HD21 LEU 33 1HD2 LEU 33 -6.090 7.431 0.005 225 HD22 LEU 33 2HD2 LEU 33 -5.171 6.126 -0.744 226 HD23 LEU 33 3HD2 LEU 33 -5.604 7.552 -1.686 227 H LYS 34 H LYS 34 -9.489 7.928 -4.684 228 HA LYS 34 HA LYS 34 -10.619 9.554 -2.738 229 HB2 LYS 34 1HB LYS 34 -11.179 9.365 -5.698 230 HB3 LYS 34 2HB LYS 34 -11.841 10.630 -4.673 231 HG2 LYS 34 1HG LYS 34 -9.795 11.639 -4.361 232 HG3 LYS 34 2HG LYS 34 -8.895 10.163 -4.718 233 HD2 LYS 34 1HD LYS 34 -9.944 10.434 -7.092 234 HD3 LYS 34 2HD LYS 34 -10.169 12.112 -6.594 235 HE2 LYS 34 1HE LYS 34 -7.720 12.142 -6.003 236 HE3 LYS 34 2HE LYS 34 -7.588 10.573 -6.797 237 HZ1 LYS 34 1HZ LYS 34 -7.320 12.978 -8.012 238 HZ2 LYS 34 2HZ LYS 34 -8.910 12.554 -8.403 239 HZ3 LYS 34 3HZ LYS 34 -7.636 11.515 -8.801 240 H GLN 35 H GLN 35 -12.165 7.138 -4.818 241 HA GLN 35 HA GLN 35 -14.815 7.591 -4.107 242 HB2 GLN 35 1HB GLN 35 -13.364 5.093 -4.959 243 HB3 GLN 35 2HB GLN 35 -15.095 5.103 -4.648 244 HG2 GLN 35 1HG GLN 35 -15.570 6.294 -6.518 245 HG3 GLN 35 2HG GLN 35 -14.038 7.166 -6.486 246 HE21 GLN 35 1HE2 GLN 35 -12.130 5.417 -6.635 247 HE22 GLN 35 2HE2 GLN 35 -12.265 4.392 -8.019 248 H GLY 36 H GLY 36 -12.548 5.220 -2.698 249 HA2 GLY 36 1HA GLY 36 -13.378 5.675 -0.043 250 HA3 GLY 36 2HA GLY 36 -14.254 4.292 -0.682 251 H ALA 37 H ALA 37 -12.232 4.478 1.467 252 HA ALA 37 HA ALA 37 -9.867 3.189 0.447 253 HB1 ALA 37 1HB ALA 37 -9.258 4.371 2.283 254 HB2 ALA 37 2HB ALA 37 -10.811 4.139 3.086 255 HB3 ALA 37 3HB ALA 37 -9.620 2.839 3.078 256 H SER 38 H SER 38 -12.761 2.011 0.424 257 HA SER 38 HA SER 38 -12.125 -0.568 1.683 258 HB2 SER 38 1HB SER 38 -14.315 0.772 2.165 259 HB3 SER 38 2HB SER 38 -14.839 0.135 0.606 260 HG SER 38 HG SER 38 -14.502 -1.151 3.020 261 H LYS 39 H LYS 39 -12.626 1.009 -1.338 262 HA LYS 39 HA LYS 39 -13.115 -1.405 -2.838 263 HB2 LYS 39 1HB LYS 39 -12.500 1.426 -3.698 264 HB3 LYS 39 2HB LYS 39 -12.839 0.113 -4.818 265 HG2 LYS 39 1HG LYS 39 -15.002 -0.102 -3.280 266 HG3 LYS 39 2HG LYS 39 -14.664 1.614 -3.041 267 HD2 LYS 39 1HD LYS 39 -14.699 0.441 -5.796 268 HD3 LYS 39 2HD LYS 39 -16.207 0.884 -4.994 269 HE2 LYS 39 1HE LYS 39 -14.858 3.127 -4.548 270 HE3 LYS 39 2HE LYS 39 -14.002 2.602 -5.997 271 HZ1 LYS 39 1HZ LYS 39 -15.919 2.728 -7.271 272 HZ2 LYS 39 2HZ LYS 39 -16.045 4.087 -6.272 273 HZ3 LYS 39 3HZ LYS 39 -16.951 2.700 -5.930 274 H LYS 40 H LYS 40 -11.691 -2.077 -4.623 275 HA LYS 40 HA LYS 40 -9.026 -2.469 -3.692 276 HB2 LYS 40 1HB LYS 40 -9.995 -3.039 -6.486 277 HB3 LYS 40 2HB LYS 40 -8.725 -3.858 -5.587 278 HG2 LYS 40 1HG LYS 40 -11.463 -3.935 -4.459 279 HG3 LYS 40 2HG LYS 40 -11.141 -4.897 -5.903 280 HD2 LYS 40 1HD LYS 40 -9.191 -5.900 -4.716 281 HD3 LYS 40 2HD LYS 40 -9.691 -5.036 -3.261 282 HE2 LYS 40 1HE LYS 40 -10.534 -7.270 -3.126 283 HE3 LYS 40 2HE LYS 40 -11.896 -6.189 -3.419 284 HZ1 LYS 40 1HZ LYS 40 -11.098 -8.403 -4.923 285 HZ2 LYS 40 2HZ LYS 40 -10.874 -7.033 -5.889 286 HZ3 LYS 40 3HZ LYS 40 -12.393 -7.355 -5.217 287 H CYS 41 H CYS 41 -7.712 -0.738 -3.644 288 HA CYS 41 HA CYS 41 -7.443 0.835 -6.122 289 HB2 CYS 41 1HB CYS 41 -6.609 2.681 -4.640 290 HB3 CYS 41 2HB CYS 41 -8.302 2.266 -4.399 291 HG CYS 41 HG CYS 41 -8.108 1.928 -1.870 292 H ILE 42 H ILE 42 -5.861 -1.040 -3.692 293 HA ILE 42 HA ILE 42 -3.197 -0.249 -4.539 294 HB ILE 42 HB ILE 42 -4.081 -2.332 -2.539 295 HG12 ILE 42 1HG1 ILE 42 -2.748 0.313 -1.982 296 HG13 ILE 42 2HG1 ILE 42 -4.499 0.152 -2.061 297 HG21 ILE 42 1HG2 ILE 42 -1.573 -1.931 -1.843 298 HG22 ILE 42 2HG2 ILE 42 -2.000 -3.106 -3.085 299 HG23 ILE 42 3HG2 ILE 42 -1.406 -1.512 -3.548 300 HD11 ILE 42 1HD1 ILE 42 -4.012 -1.796 -0.334 301 HD12 ILE 42 2HD1 ILE 42 -2.594 -0.799 -0.011 302 HD13 ILE 42 3HD1 ILE 42 -4.211 -0.117 0.165 303 H GLN 43 H GLN 43 -2.699 -0.993 -6.525 304 HA GLN 43 HA GLN 43 -3.413 -3.704 -7.299 305 HB2 GLN 43 1HB GLN 43 -3.554 -1.631 -8.817 306 HB3 GLN 43 2HB GLN 43 -1.805 -1.767 -8.948 307 HG2 GLN 43 1HG GLN 43 -2.102 -4.081 -9.788 308 HG3 GLN 43 2HG GLN 43 -3.845 -3.818 -9.775 309 HE21 GLN 43 1HE2 GLN 43 -4.398 -3.747 -11.847 310 HE22 GLN 43 2HE2 GLN 43 -3.691 -2.716 -13.039 311 H ASN 44 H ASN 44 -2.125 -5.346 -6.827 312 HA ASN 44 HA ASN 44 0.566 -4.972 -5.940 313 HB2 ASN 44 1HB ASN 44 0.604 -7.324 -5.558 314 HB3 ASN 44 2HB ASN 44 -1.021 -6.782 -5.149 315 HD21 ASN 44 1HD2 ASN 44 -1.302 -9.178 -5.438 316 HD22 ASN 44 2HD2 ASN 44 -1.738 -9.727 -7.017 317 H GLU 45 H GLU 45 2.291 -6.544 -6.897 318 HA GLU 45 HA GLU 45 2.994 -5.613 -9.430 319 HB2 GLU 45 1HB GLU 45 4.662 -7.515 -9.399 320 HB3 GLU 45 2HB GLU 45 4.723 -6.422 -8.023 321 HG2 GLU 45 1HG GLU 45 3.968 -7.992 -6.560 322 HG3 GLU 45 2HG GLU 45 3.042 -8.854 -7.787 323 H ALA 46 H ALA 46 1.026 -8.302 -8.473 324 HA ALA 46 HA ALA 46 1.148 -9.679 -10.987 325 HB1 ALA 46 1HB ALA 46 -1.004 -10.767 -9.931 326 HB2 ALA 46 2HB ALA 46 0.606 -11.149 -9.321 327 HB3 ALA 46 3HB ALA 46 -0.406 -9.984 -8.468 328 H GLY 47 H GLY 47 -0.109 -6.770 -10.252 329 HA2 GLY 47 1HA GLY 47 -1.423 -5.407 -11.605 330 HA3 GLY 47 2HA GLY 47 -1.880 -6.822 -12.542 331 H ASP 48 H ASP 48 -2.547 -8.114 -9.826 332 HA ASP 48 HA ASP 48 -5.329 -7.585 -9.923 333 HB2 ASP 48 1HB ASP 48 -3.957 -9.679 -9.054 334 HB3 ASP 48 2HB ASP 48 -4.099 -8.841 -7.510 335 H TRP 49 H TRP 49 -6.630 -6.346 -8.657 336 HA TRP 49 HA TRP 49 -5.306 -4.298 -7.067 337 HB2 TRP 49 1HB TRP 49 -8.196 -4.587 -7.918 338 HB3 TRP 49 2HB TRP 49 -7.531 -3.208 -7.047 339 HD1 TRP 49 HD1 TRP 49 -7.353 -4.919 -10.493 340 HE1 TRP 49 HE1 TRP 49 -6.543 -3.185 -12.214 341 HE3 TRP 49 HE3 TRP 49 -6.292 -1.056 -7.317 342 HZ2 TRP 49 HZ2 TRP 49 -5.581 -0.532 -12.224 343 HZ3 TRP 49 HZ3 TRP 49 -5.431 1.046 -8.263 344 HH2 TRP 49 HH2 TRP 49 -5.082 1.300 -10.666 345 H LEU 50 H LEU 50 -5.608 -3.967 -4.900 346 HA LEU 50 HA LEU 50 -7.281 -5.914 -3.462 347 HB2 LEU 50 1HB LEU 50 -4.572 -4.985 -2.519 348 HB3 LEU 50 2HB LEU 50 -5.590 -6.208 -1.782 349 HG LEU 50 HG LEU 50 -3.884 -7.397 -2.881 350 HD11 LEU 50 1HD1 LEU 50 -6.519 -7.727 -3.598 351 HD12 LEU 50 2HD1 LEU 50 -5.679 -7.703 -5.149 352 HD13 LEU 50 3HD1 LEU 50 -5.208 -8.866 -3.909 353 HD21 LEU 50 1HD2 LEU 50 -3.255 -5.351 -4.292 354 HD22 LEU 50 2HD2 LEU 50 -3.009 -6.947 -4.998 355 HD23 LEU 50 3HD2 LEU 50 -4.405 -5.980 -5.472 356 H THR 51 H THR 51 -8.388 -5.149 -1.713 357 HA THR 51 HA THR 51 -8.794 -2.334 -1.547 358 HB THR 51 HB THR 51 -10.406 -2.807 0.184 359 HG1 THR 51 HG1 THR 51 -9.681 -4.323 1.515 360 HG21 THR 51 1HG2 THR 51 -10.707 -3.594 -2.320 361 HG22 THR 51 2HG2 THR 51 -11.921 -3.964 -1.096 362 HG23 THR 51 3HG2 THR 51 -10.747 -5.190 -1.572 363 H VAL 52 H VAL 52 -8.419 -0.952 0.231 364 HA VAL 52 HA VAL 52 -5.966 -0.762 1.289 365 HB VAL 52 HB VAL 52 -8.505 -0.088 2.782 366 HG11 VAL 52 1HG1 VAL 52 -6.767 -0.032 4.372 367 HG12 VAL 52 2HG1 VAL 52 -5.639 0.703 3.231 368 HG13 VAL 52 3HG1 VAL 52 -6.993 1.641 3.862 369 HG21 VAL 52 1HG2 VAL 52 -8.056 2.200 1.882 370 HG22 VAL 52 2HG2 VAL 52 -6.802 1.494 0.862 371 HG23 VAL 52 3HG2 VAL 52 -8.485 1.007 0.655 372 H LYS 53 H LYS 53 -8.427 -2.983 2.337 373 HA LYS 53 HA LYS 53 -6.947 -3.756 4.717 374 HB2 LYS 53 1HB LYS 53 -9.412 -3.649 4.774 375 HB3 LYS 53 2HB LYS 53 -9.487 -4.901 3.540 376 HG2 LYS 53 1HG LYS 53 -8.316 -6.433 5.103 377 HG3 LYS 53 2HG LYS 53 -8.424 -5.181 6.342 378 HD2 LYS 53 1HD LYS 53 -10.315 -6.342 6.852 379 HD3 LYS 53 2HD LYS 53 -10.988 -5.254 5.634 380 HE2 LYS 53 1HE LYS 53 -9.816 -7.807 4.686 381 HE3 LYS 53 2HE LYS 53 -11.343 -7.896 5.562 382 HZ1 LYS 53 1HZ LYS 53 -11.036 -5.964 3.366 383 HZ2 LYS 53 2HZ LYS 53 -12.439 -6.704 3.951 384 HZ3 LYS 53 3HZ LYS 53 -11.347 -7.588 3.009 385 H GLU 54 H GLU 54 -8.125 -5.376 1.764 386 HA GLU 54 HA GLU 54 -6.966 -7.835 2.063 387 HB2 GLU 54 1HB GLU 54 -7.561 -6.150 -0.333 388 HB3 GLU 54 2HB GLU 54 -6.658 -7.643 -0.550 389 HG2 GLU 54 1HG GLU 54 -9.170 -7.748 1.026 390 HG3 GLU 54 2HG GLU 54 -9.287 -7.562 -0.723 391 H PHE 55 H PHE 55 -5.455 -5.140 0.273 392 HA PHE 55 HA PHE 55 -3.040 -6.107 -0.349 393 HB2 PHE 55 1HB PHE 55 -3.782 -3.749 -0.690 394 HB3 PHE 55 2HB PHE 55 -3.397 -3.423 0.998 395 HD1 PHE 55 HD1 PHE 55 -1.661 -5.165 -1.813 396 HD2 PHE 55 HD2 PHE 55 -1.481 -2.199 1.235 397 HE1 PHE 55 HE1 PHE 55 0.663 -4.660 -2.446 398 HE2 PHE 55 HE2 PHE 55 0.843 -1.689 0.606 399 HZ PHE 55 HZ PHE 55 1.917 -2.920 -1.237 400 H LEU 56 H LEU 56 -3.967 -5.026 2.893 401 HA LEU 56 HA LEU 56 -1.460 -5.403 4.114 402 HB2 LEU 56 1HB LEU 56 -4.056 -5.788 5.566 403 HB3 LEU 56 2HB LEU 56 -2.556 -5.106 6.164 404 HG LEU 56 HG LEU 56 -4.488 -3.800 4.248 405 HD11 LEU 56 1HD1 LEU 56 -5.456 -3.390 6.257 406 HD12 LEU 56 2HD1 LEU 56 -3.949 -3.595 7.150 407 HD13 LEU 56 3HD1 LEU 56 -4.260 -2.094 6.278 408 HD21 LEU 56 1HD2 LEU 56 -1.667 -3.257 4.859 409 HD22 LEU 56 2HD2 LEU 56 -2.641 -2.785 3.468 410 HD23 LEU 56 3HD2 LEU 56 -2.738 -1.861 4.966 411 H ASN 57 H ASN 57 -4.314 -7.524 3.967 412 HA ASN 57 HA ASN 57 -3.367 -9.655 5.444 413 HB2 ASN 57 1HB ASN 57 -5.337 -9.366 3.229 414 HB3 ASN 57 2HB ASN 57 -4.816 -10.997 3.643 415 HD21 ASN 57 1HD2 ASN 57 -6.542 -8.185 4.685 416 HD22 ASN 57 2HD2 ASN 57 -7.281 -8.898 6.075 417 H GLU 58 H GLU 58 -2.718 -8.823 2.086 418 HA GLU 58 HA GLU 58 -1.513 -11.177 1.231 419 HB2 GLU 58 1HB GLU 58 -1.335 -8.317 0.440 420 HB3 GLU 58 2HB GLU 58 -0.078 -9.394 -0.151 421 HG2 GLU 58 1HG GLU 58 -2.087 -10.891 -0.865 422 HG3 GLU 58 2HG GLU 58 -2.997 -9.386 -0.744 423 H GLY 59 H GLY 59 -0.178 -8.484 3.075 424 HA2 GLY 59 1HA GLY 59 2.477 -9.680 3.081 425 HA3 GLY 59 2HA GLY 59 2.020 -8.151 3.816 426 H GLY 60 H GLY 60 -0.212 -9.185 5.310 427 HA2 GLY 60 1HA GLY 60 -0.509 -10.969 6.987 428 HA3 GLY 60 2HA GLY 60 1.226 -10.887 7.253 429 H ARG 61 H ARG 61 -0.815 -8.068 6.824 430 HA ARG 61 HA ARG 61 -0.351 -7.390 9.655 431 HB2 ARG 61 1HB ARG 61 -0.267 -5.693 7.179 432 HB3 ARG 61 2HB ARG 61 -0.593 -4.971 8.749 433 HG2 ARG 61 1HG ARG 61 1.778 -6.738 8.493 434 HG3 ARG 61 2HG ARG 61 1.848 -5.131 7.767 435 HD2 ARG 61 1HD ARG 61 2.600 -4.608 9.849 436 HD3 ARG 61 2HD ARG 61 0.869 -4.440 10.135 437 HE ARG 61 HE ARG 61 1.261 -6.999 10.777 438 HH11 ARG 61 1HH1 ARG 61 3.032 -4.127 11.636 439 HH12 ARG 61 2HH1 ARG 61 3.547 -4.746 13.170 440 HH21 ARG 61 1HH2 ARG 61 1.933 -7.825 12.795 441 HH22 ARG 61 2HH2 ARG 61 2.922 -6.849 13.828 442 H ALA 62 H ALA 62 -2.655 -8.683 8.087 443 HA ALA 62 HA ALA 62 -4.866 -7.075 7.875 444 HB1 ALA 62 1HB ALA 62 -4.819 -9.451 7.259 445 HB2 ALA 62 2HB ALA 62 -4.832 -9.885 8.969 446 HB3 ALA 62 3HB ALA 62 -6.217 -9.055 8.260 447 H THR 63 H THR 63 -3.508 -8.512 10.804 448 HA THR 63 HA THR 63 -5.537 -7.900 12.603 449 HB THR 63 HB THR 63 -3.713 -7.838 14.344 450 HG1 THR 63 HG1 THR 63 -1.985 -8.569 12.214 451 HG21 THR 63 1HG2 THR 63 -4.395 -10.036 12.537 452 HG22 THR 63 2HG2 THR 63 -4.355 -9.990 14.299 453 HG23 THR 63 3HG2 THR 63 -2.870 -10.267 13.390 454 H SER 64 H SER 64 -2.724 -5.940 11.659 455 HA SER 64 HA SER 64 -3.128 -3.770 13.334 456 HB2 SER 64 1HB SER 64 -1.882 -4.051 10.616 457 HB3 SER 64 2HB SER 64 -2.030 -2.460 11.362 458 HG SER 64 HG SER 64 -1.010 -4.448 12.989 459 H LYS 65 H LYS 65 -4.261 -1.853 13.188 460 HA LYS 65 HA LYS 65 -6.655 -1.960 11.546 461 HB2 LYS 65 1HB LYS 65 -5.777 -0.095 13.753 462 HB3 LYS 65 2HB LYS 65 -7.289 0.087 12.873 463 HG2 LYS 65 1HG LYS 65 -6.600 -2.460 14.294 464 HG3 LYS 65 2HG LYS 65 -7.353 -1.101 15.130 465 HD2 LYS 65 1HD LYS 65 -9.332 -1.320 13.989 466 HD3 LYS 65 2HD LYS 65 -8.561 -2.049 12.578 467 HE2 LYS 65 1HE LYS 65 -8.713 -3.466 15.222 468 HE3 LYS 65 2HE LYS 65 -10.020 -3.554 14.042 469 HZ1 LYS 65 1HZ LYS 65 -7.901 -4.135 12.524 470 HZ2 LYS 65 2HZ LYS 65 -8.857 -5.300 13.291 471 HZ3 LYS 65 3HZ LYS 65 -7.406 -4.797 14.000 472 H ASP 66 H ASP 66 -4.432 0.707 12.359 473 HA ASP 66 HA ASP 66 -5.089 2.305 10.168 474 HB2 ASP 66 1HB ASP 66 -2.353 2.302 11.425 475 HB3 ASP 66 2HB ASP 66 -3.252 3.663 10.760 476 H TRP 67 H TRP 67 -4.913 1.762 8.100 477 HA TRP 67 HA TRP 67 -3.011 -0.174 7.175 478 HB2 TRP 67 1HB TRP 67 -3.954 0.373 4.923 479 HB3 TRP 67 2HB TRP 67 -5.169 -0.095 6.110 480 HD1 TRP 67 HD1 TRP 67 -6.715 1.926 7.115 481 HE1 TRP 67 HE1 TRP 67 -7.444 4.147 6.039 482 HE3 TRP 67 HE3 TRP 67 -3.254 2.183 3.362 483 HZ2 TRP 67 HZ2 TRP 67 -6.657 5.791 3.883 484 HZ3 TRP 67 HZ3 TRP 67 -3.310 4.112 1.836 485 HH2 TRP 67 HH2 TRP 67 -4.978 5.877 2.092 486 H LYS 68 H LYS 68 -3.243 3.316 7.208 487 HA LYS 68 HA LYS 68 -1.220 3.868 5.318 488 HB2 LYS 68 1HB LYS 68 -2.304 5.464 7.638 489 HB3 LYS 68 2HB LYS 68 -1.103 6.097 6.521 490 HG2 LYS 68 1HG LYS 68 -2.651 5.833 4.670 491 HG3 LYS 68 2HG LYS 68 -3.853 5.134 5.757 492 HD2 LYS 68 1HD LYS 68 -3.726 7.292 7.072 493 HD3 LYS 68 2HD LYS 68 -2.792 7.952 5.728 494 HE2 LYS 68 1HE LYS 68 -4.616 7.635 4.217 495 HE3 LYS 68 2HE LYS 68 -5.526 6.724 5.421 496 HZ1 LYS 68 1HZ LYS 68 -6.439 8.622 6.054 497 HZ2 LYS 68 2HZ LYS 68 -5.469 9.509 4.990 498 HZ3 LYS 68 3HZ LYS 68 -4.923 9.181 6.557 499 H GLY 69 H GLY 69 -1.113 2.779 8.584 500 HA2 GLY 69 1HA GLY 69 1.603 3.661 9.059 501 HA3 GLY 69 2HA GLY 69 0.628 2.659 10.123 502 H VAL 70 H VAL 70 -0.013 0.542 8.503 503 HA VAL 70 HA VAL 70 2.382 -0.983 8.591 504 HB VAL 70 HB VAL 70 1.038 -2.795 7.587 505 HG11 VAL 70 1HG1 VAL 70 -0.577 -3.010 9.416 506 HG12 VAL 70 2HG1 VAL 70 0.990 -2.443 9.997 507 HG13 VAL 70 3HG1 VAL 70 -0.348 -1.308 9.816 508 HG21 VAL 70 1HG2 VAL 70 -0.936 -2.493 6.553 509 HG22 VAL 70 2HG2 VAL 70 -1.475 -1.281 7.715 510 HG23 VAL 70 3HG2 VAL 70 -0.398 -0.821 6.396 511 H ILE 71 H ILE 71 0.667 0.708 6.058 512 HA ILE 71 HA ILE 71 2.286 -0.473 3.958 513 HB ILE 71 HB ILE 71 0.197 1.705 3.850 514 HG12 ILE 71 1HG1 ILE 71 0.015 -1.108 2.777 515 HG13 ILE 71 2HG1 ILE 71 -0.492 -0.693 4.410 516 HG21 ILE 71 1HG2 ILE 71 0.816 2.153 1.767 517 HG22 ILE 71 2HG2 ILE 71 2.214 1.102 1.990 518 HG23 ILE 71 3HG2 ILE 71 0.715 0.447 1.331 519 HD11 ILE 71 1HD1 ILE 71 -2.326 0.449 3.696 520 HD12 ILE 71 2HD1 ILE 71 -1.590 0.891 2.155 521 HD13 ILE 71 3HD1 ILE 71 -2.190 -0.747 2.408 522 H ARG 72 H ARG 72 4.086 0.378 3.123 523 HA ARG 72 HA ARG 72 4.815 3.120 3.921 524 HB2 ARG 72 1HB ARG 72 6.696 0.821 3.361 525 HB3 ARG 72 2HB ARG 72 7.147 2.433 3.900 526 HG2 ARG 72 1HG ARG 72 5.918 2.045 6.000 527 HG3 ARG 72 2HG ARG 72 5.560 0.404 5.458 528 HD2 ARG 72 1HD ARG 72 8.376 1.425 5.615 529 HD3 ARG 72 2HD ARG 72 7.562 0.756 7.028 530 HE ARG 72 HE ARG 72 7.289 -1.064 4.929 531 HH11 ARG 72 1HH1 ARG 72 9.788 0.290 6.939 532 HH12 ARG 72 2HH1 ARG 72 10.804 -1.110 6.845 533 HH21 ARG 72 1HH2 ARG 72 8.617 -2.913 4.797 534 HH22 ARG 72 2HH2 ARG 72 10.137 -2.931 5.625 535 H CYS 73 H CYS 73 5.535 4.510 2.378 536 HA CYS 73 HA CYS 73 5.684 3.478 -0.379 537 HB2 CYS 73 1HB CYS 73 3.655 4.742 -0.195 538 HB3 CYS 73 2HB CYS 73 4.481 6.058 0.631 539 HG CYS 73 HG CYS 73 3.671 6.541 -2.156 540 H ASN 74 H ASN 74 7.772 3.488 -0.917 541 HA ASN 74 HA ASN 74 9.860 4.250 -1.402 542 HB2 ASN 74 1HB ASN 74 8.735 6.983 -0.748 543 HB3 ASN 74 2HB ASN 74 10.225 6.655 -1.628 544 HD21 ASN 74 1HD2 ASN 74 9.870 5.149 -3.565 545 HD22 ASN 74 2HD2 ASN 74 8.521 5.537 -4.572 546 H GLY 75 H GLY 75 9.129 3.418 1.283 547 HA2 GLY 75 1HA GLY 75 10.484 3.119 3.165 548 HA3 GLY 75 2HA GLY 75 11.456 4.492 2.655 549 H GLU 76 H GLU 76 8.483 5.672 2.370 550 HA GLU 76 HA GLU 76 8.356 6.540 5.184 551 HB2 GLU 76 1HB GLU 76 7.932 8.109 2.647 552 HB3 GLU 76 2HB GLU 76 7.333 8.670 4.202 553 HG2 GLU 76 1HG GLU 76 9.324 9.750 4.159 554 HG3 GLU 76 2HG GLU 76 9.833 8.246 4.925 555 H THR 77 H THR 77 6.511 6.145 6.209 556 HA THR 77 HA THR 77 4.411 4.691 5.080 557 HB THR 77 HB THR 77 3.154 5.170 7.135 558 HG1 THR 77 HG1 THR 77 5.179 6.649 8.293 559 HG21 THR 77 1HG2 THR 77 4.870 4.363 8.771 560 HG22 THR 77 2HG2 THR 77 6.089 4.581 7.516 561 HG23 THR 77 3HG2 THR 77 4.784 3.419 7.285 562 H LEU 78 H LEU 78 2.284 5.247 4.527 563 HA LEU 78 HA LEU 78 1.912 7.450 2.922 564 HB2 LEU 78 1HB LEU 78 -0.198 5.959 4.487 565 HB3 LEU 78 2HB LEU 78 -0.508 7.012 3.119 566 HG LEU 78 HG LEU 78 1.084 4.448 3.012 567 HD11 LEU 78 1HD1 LEU 78 -1.612 4.649 3.269 568 HD12 LEU 78 2HD1 LEU 78 -1.425 4.685 1.516 569 HD13 LEU 78 3HD1 LEU 78 -0.775 3.334 2.444 570 HD21 LEU 78 1HD2 LEU 78 1.070 6.667 1.283 571 HD22 LEU 78 2HD2 LEU 78 1.783 5.079 1.004 572 HD23 LEU 78 3HD2 LEU 78 0.128 5.403 0.491 573 H ARG 79 H ARG 79 0.996 7.079 6.334 574 HA ARG 79 HA ARG 79 -0.253 9.543 6.686 575 HB2 ARG 79 1HB ARG 79 -0.474 7.929 8.408 576 HB3 ARG 79 2HB ARG 79 1.268 7.770 8.587 577 HG2 ARG 79 1HG ARG 79 0.436 8.993 10.453 578 HG3 ARG 79 2HG ARG 79 1.331 10.112 9.424 579 HD2 ARG 79 1HD ARG 79 -0.552 11.348 9.856 580 HD3 ARG 79 2HD ARG 79 -1.029 10.536 8.365 581 HE ARG 79 HE ARG 79 -1.805 8.959 10.554 582 HH11 ARG 79 1HH1 ARG 79 -2.590 11.983 9.018 583 HH12 ARG 79 2HH1 ARG 79 -4.246 11.961 9.527 584 HH21 ARG 79 1HH2 ARG 79 -3.983 8.919 11.230 585 HH22 ARG 79 2HH2 ARG 79 -5.037 10.219 10.786 586 H HIS 80 H HIS 80 3.164 8.665 6.919 587 HA HIS 80 HA HIS 80 4.134 11.094 7.919 588 HB2 HIS 80 1HB HIS 80 5.410 8.927 7.723 589 HB3 HIS 80 2HB HIS 80 5.595 9.268 6.005 590 HD1 HIS 80 HD1 HIS 80 7.078 9.962 9.270 591 HD2 HIS 80 HD2 HIS 80 7.163 11.661 5.480 592 HE1 HIS 80 HE1 HIS 80 9.069 11.498 9.267 593 HE2 HIS 80 HE2 HIS 80 9.050 12.579 6.992 594 H LEU 81 H LEU 81 3.646 9.999 4.582 595 HA LEU 81 HA LEU 81 4.732 12.257 3.311 596 HB2 LEU 81 1HB LEU 81 2.584 10.351 2.380 597 HB3 LEU 81 2HB LEU 81 3.379 11.528 1.351 598 HG LEU 81 HG LEU 81 4.792 9.269 2.771 599 HD11 LEU 81 1HD1 LEU 81 4.907 8.956 -0.014 600 HD12 LEU 81 2HD1 LEU 81 4.062 7.941 1.156 601 HD13 LEU 81 3HD1 LEU 81 3.219 9.280 0.378 602 HD21 LEU 81 1HD2 LEU 81 6.560 10.593 2.379 603 HD22 LEU 81 2HD2 LEU 81 6.373 10.065 0.708 604 HD23 LEU 81 3HD2 LEU 81 5.678 11.599 1.229 605 H GLU 82 H GLU 82 1.409 11.499 4.294 606 HA GLU 82 HA GLU 82 0.138 13.731 3.222 607 HB2 GLU 82 1HB GLU 82 -1.080 11.823 4.151 608 HB3 GLU 82 2HB GLU 82 -0.516 12.233 5.765 609 HG2 GLU 82 1HG GLU 82 -2.042 14.255 4.200 610 HG3 GLU 82 2HG GLU 82 -2.902 12.921 4.967 611 H GLN 83 H GLN 83 1.656 13.307 6.401 612 HA GLN 83 HA GLN 83 1.006 15.790 7.489 613 HB2 GLN 83 1HB GLN 83 3.435 14.053 7.947 614 HB3 GLN 83 2HB GLN 83 3.021 15.447 8.935 615 HG2 GLN 83 1HG GLN 83 0.752 14.225 9.244 616 HG3 GLN 83 2HG GLN 83 1.657 12.803 8.730 617 HE21 GLN 83 1HE2 GLN 83 1.570 11.757 10.674 618 HE22 GLN 83 2HE2 GLN 83 2.396 12.309 12.087 619 H LYS 84 H LYS 84 3.638 14.842 5.353 620 HA LYS 84 HA LYS 84 4.855 17.468 5.454 621 HB2 LYS 84 1HB LYS 84 5.471 14.982 3.855 622 HB3 LYS 84 2HB LYS 84 6.367 16.486 3.681 623 HG2 LYS 84 1HG LYS 84 7.379 16.282 5.724 624 HG3 LYS 84 2HG LYS 84 6.077 15.297 6.393 625 HD2 LYS 84 1HD LYS 84 7.826 13.780 6.125 626 HD3 LYS 84 2HD LYS 84 6.834 13.521 4.688 627 HE2 LYS 84 1HE LYS 84 9.150 13.595 4.040 628 HE3 LYS 84 2HE LYS 84 8.339 15.038 3.434 629 HZ1 LYS 84 1HZ LYS 84 9.266 16.312 5.229 630 HZ2 LYS 84 2HZ LYS 84 10.519 15.512 4.423 631 HZ3 LYS 84 3HZ LYS 84 9.968 14.934 5.914 632 H GLY 85 H GLY 85 2.085 16.609 4.198 633 HA2 GLY 85 1HA GLY 85 0.752 17.444 2.527 634 HA3 GLY 85 2HA GLY 85 1.960 18.704 2.322 635 H LEU 86 H LEU 86 2.621 15.279 1.943 636 HA LEU 86 HA LEU 86 3.300 15.791 -0.861 637 HB2 LEU 86 1HB LEU 86 3.968 13.349 0.774 638 HB3 LEU 86 2HB LEU 86 4.670 13.828 -0.760 639 HG LEU 86 HG LEU 86 4.999 15.399 1.795 640 HD11 LEU 86 1HD1 LEU 86 6.117 13.402 2.246 641 HD12 LEU 86 2HD1 LEU 86 6.661 13.222 0.578 642 HD13 LEU 86 3HD1 LEU 86 7.375 14.462 1.609 643 HD21 LEU 86 1HD2 LEU 86 6.800 15.557 -0.574 644 HD22 LEU 86 2HD2 LEU 86 5.256 16.408 -0.611 645 HD23 LEU 86 3HD2 LEU 86 6.434 16.774 0.649 646 H LEU 87 H LEU 87 1.335 13.720 1.193 647 HA LEU 87 HA LEU 87 0.154 12.487 -1.200 648 HB2 LEU 87 1HB LEU 87 1.093 11.003 0.582 649 HB3 LEU 87 2HB LEU 87 -0.127 11.625 1.678 650 HG LEU 87 HG LEU 87 -1.768 10.800 -0.234 651 HD11 LEU 87 1HD1 LEU 87 -1.039 9.044 -1.535 652 HD12 LEU 87 2HD1 LEU 87 0.368 10.108 -1.548 653 HD13 LEU 87 3HD1 LEU 87 0.337 8.699 -0.488 654 HD21 LEU 87 1HD2 LEU 87 -1.585 10.070 2.177 655 HD22 LEU 87 2HD2 LEU 87 -2.166 8.850 1.044 656 HD23 LEU 87 3HD2 LEU 87 -0.500 8.797 1.618 657 H PHE 88 H PHE 88 -2.081 12.451 -1.498 658 HA PHE 88 HA PHE 88 -3.472 14.699 -0.310 659 HB2 PHE 88 1HB PHE 88 -4.951 14.570 -2.085 660 HB3 PHE 88 2HB PHE 88 -3.493 13.903 -2.812 661 HD1 PHE 88 HD1 PHE 88 -3.316 11.213 -2.161 662 HD2 PHE 88 HD2 PHE 88 -6.857 13.501 -2.745 663 HE1 PHE 88 HE1 PHE 88 -4.543 9.160 -2.739 664 HE2 PHE 88 HE2 PHE 88 -8.090 11.451 -3.322 665 HZ PHE 88 HZ PHE 88 -6.933 9.277 -3.319 666 H SER 89 H SER 89 -3.623 11.192 -0.295 667 HA SER 89 HA SER 89 -4.866 9.702 0.901 668 HB2 SER 89 1HB SER 89 -4.936 10.070 3.216 669 HB3 SER 89 2HB SER 89 -3.587 11.076 2.688 670 HG SER 89 HG SER 89 -5.490 11.920 4.112 671 H GLY 90 H GLY 90 -6.386 10.952 -0.977 672 HA2 GLY 90 1HA GLY 90 -8.670 10.891 -1.461 673 HA3 GLY 90 2HA GLY 90 -9.009 10.831 0.262 674 HA PRO 91 HA PRO 91 -9.835 15.115 -1.547 675 HB2 PRO 91 1HB PRO 91 -12.522 15.121 -1.163 676 HB3 PRO 91 2HB PRO 91 -11.765 14.533 -2.649 677 HG2 PRO 91 1HG PRO 91 -12.791 12.981 -0.304 678 HG3 PRO 91 2HG PRO 91 -12.974 12.644 -2.035 679 HD2 PRO 91 1HD PRO 91 -11.146 11.378 -0.489 680 HD3 PRO 91 2HD PRO 91 -10.866 11.728 -2.207 681 H SER 92 H SER 92 -11.514 16.734 -0.324 682 HA SER 92 HA SER 92 -11.720 18.032 1.539 683 HB2 SER 92 1HB SER 92 -12.765 17.009 3.391 684 HB3 SER 92 2HB SER 92 -13.226 16.001 2.020 685 HG SER 92 HG SER 92 -11.084 15.469 3.807 686 H SER 93 H SER 93 -9.043 17.294 0.791 687 HA SER 93 HA SER 93 -7.681 17.011 3.371 688 HB2 SER 93 1HB SER 93 -6.780 15.499 1.790 689 HB3 SER 93 2HB SER 93 -6.759 16.718 0.515 690 HG SER 93 HG SER 93 -4.953 17.540 1.304 691 H GLY 94 H GLY 94 -6.300 18.552 4.182 692 HA2 GLY 94 1HA GLY 94 -5.101 20.686 3.026 693 HA3 GLY 94 2HA GLY 94 -6.750 21.249 3.248 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 9.762 12.013 -28.001 2 HA2 GLY 1 1HA GLY 1 10.417 11.204 -30.379 3 HA3 GLY 1 2HA GLY 1 11.941 10.837 -29.584 4 H SER 2 H SER 2 11.383 8.649 -30.411 5 HA SER 2 HA SER 2 9.264 7.089 -29.691 6 HB2 SER 2 1HB SER 2 12.170 6.241 -29.755 7 HB3 SER 2 2HB SER 2 10.788 5.148 -29.819 8 HG SER 2 HG SER 2 11.391 7.179 -31.710 9 H SER 3 H SER 3 12.195 7.645 -27.756 10 HA SER 3 HA SER 3 10.668 6.820 -25.378 11 HB2 SER 3 1HB SER 3 12.232 5.033 -25.913 12 HB3 SER 3 2HB SER 3 13.564 6.186 -25.996 13 HG SER 3 HG SER 3 13.749 6.041 -23.917 14 H GLY 4 H GLY 4 10.953 8.028 -23.538 15 HA2 GLY 4 1HA GLY 4 13.033 9.781 -22.967 16 HA3 GLY 4 2HA GLY 4 11.837 10.703 -23.866 17 H SER 5 H SER 5 12.423 11.502 -21.356 18 HA SER 5 HA SER 5 10.229 10.484 -19.683 19 HB2 SER 5 1HB SER 5 12.570 10.432 -18.752 20 HB3 SER 5 2HB SER 5 12.562 12.194 -18.800 21 HG SER 5 HG SER 5 10.356 11.543 -17.589 22 H SER 6 H SER 6 8.644 11.818 -18.944 23 HA SER 6 HA SER 6 8.797 14.663 -19.665 24 HB2 SER 6 1HB SER 6 7.450 13.457 -21.367 25 HB3 SER 6 2HB SER 6 6.365 12.909 -20.088 26 HG SER 6 HG SER 6 5.802 14.905 -21.330 27 H GLY 7 H GLY 7 7.395 16.052 -18.425 28 HA2 GLY 7 1HA GLY 7 6.051 16.591 -16.582 29 HA3 GLY 7 2HA GLY 7 6.119 14.912 -16.069 30 H ASN 8 H ASN 8 6.585 15.511 -13.931 31 HA ASN 8 HA ASN 8 9.253 16.689 -13.522 32 HB2 ASN 8 1HB ASN 8 6.721 16.809 -11.923 33 HB3 ASN 8 2HB ASN 8 8.271 16.983 -11.105 34 HD21 ASN 8 1HD2 ASN 8 8.536 19.050 -10.671 35 HD22 ASN 8 2HD2 ASN 8 8.301 20.357 -11.776 36 H ASP 9 H ASP 9 10.234 15.932 -11.350 37 HA ASP 9 HA ASP 9 10.404 13.042 -11.485 38 HB2 ASP 9 1HB ASP 9 12.344 13.241 -10.105 39 HB3 ASP 9 2HB ASP 9 12.417 14.551 -11.281 40 H ALA 10 H ALA 10 8.603 15.289 -9.762 41 HA ALA 10 HA ALA 10 8.457 13.900 -7.256 42 HB1 ALA 10 1HB ALA 10 6.939 15.542 -6.583 43 HB2 ALA 10 2HB ALA 10 8.020 16.388 -7.691 44 HB3 ALA 10 3HB ALA 10 6.423 15.875 -8.237 45 H VAL 11 H VAL 11 7.619 11.909 -7.217 46 HA VAL 11 HA VAL 11 5.886 10.744 -9.018 47 HB VAL 11 HB VAL 11 5.335 9.106 -7.259 48 HG11 VAL 11 1HG1 VAL 11 8.250 9.680 -6.953 49 HG12 VAL 11 2HG1 VAL 11 7.428 8.139 -7.209 50 HG13 VAL 11 3HG1 VAL 11 7.599 9.281 -8.543 51 HG21 VAL 11 1HG2 VAL 11 6.647 9.480 -5.054 52 HG22 VAL 11 2HG2 VAL 11 6.592 11.183 -5.509 53 HG23 VAL 11 3HG2 VAL 11 5.093 10.283 -5.277 54 H ASP 12 H ASP 12 5.123 12.593 -6.106 55 HA ASP 12 HA ASP 12 2.506 12.196 -5.674 56 HB2 ASP 12 1HB ASP 12 2.369 14.800 -5.405 57 HB3 ASP 12 2HB ASP 12 3.408 13.859 -4.338 58 H PHE 13 H PHE 13 3.807 14.168 -8.320 59 HA PHE 13 HA PHE 13 1.530 15.205 -9.412 60 HB2 PHE 13 1HB PHE 13 4.063 14.190 -10.655 61 HB3 PHE 13 2HB PHE 13 2.755 14.769 -11.681 62 HD1 PHE 13 HD2 PHE 13 1.745 17.112 -10.828 63 HD2 PHE 13 HD1 PHE 13 5.697 15.696 -10.124 64 HE1 PHE 13 HE2 PHE 13 2.511 19.426 -10.500 65 HE2 PHE 13 HE1 PHE 13 6.470 18.009 -9.794 66 HZ PHE 13 HZ PHE 13 4.877 19.877 -9.983 67 H SER 14 H SER 14 2.862 11.968 -10.028 68 HA SER 14 HA SER 14 0.783 11.169 -11.785 69 HB2 SER 14 1HB SER 14 3.042 10.106 -11.690 70 HB3 SER 14 2HB SER 14 2.600 9.394 -10.138 71 HG SER 14 HG SER 14 2.176 7.901 -11.740 72 HA PRO 15 HA PRO 15 -2.446 10.283 -8.920 73 HB2 PRO 15 1HB PRO 15 -3.908 8.600 -10.469 74 HB3 PRO 15 2HB PRO 15 -3.857 10.347 -10.732 75 HG2 PRO 15 1HG PRO 15 -2.357 8.175 -12.143 76 HG3 PRO 15 2HG PRO 15 -3.160 9.603 -12.822 77 HD2 PRO 15 1HD PRO 15 -0.483 9.486 -12.429 78 HD3 PRO 15 2HD PRO 15 -1.404 10.998 -12.292 79 H THR 16 H THR 16 -0.029 8.194 -9.717 80 HA THR 16 HA THR 16 -1.125 6.080 -7.980 81 HB THR 16 HB THR 16 0.286 4.449 -9.222 82 HG1 THR 16 HG1 THR 16 0.607 6.609 -11.060 83 HG21 THR 16 1HG2 THR 16 -2.082 4.639 -9.754 84 HG22 THR 16 2HG2 THR 16 -1.153 4.321 -11.219 85 HG23 THR 16 3HG2 THR 16 -1.742 5.949 -10.883 86 H LEU 17 H LEU 17 0.166 5.332 -6.364 87 HA LEU 17 HA LEU 17 2.915 6.368 -6.221 88 HB2 LEU 17 1HB LEU 17 1.054 6.199 -3.856 89 HB3 LEU 17 2HB LEU 17 2.664 6.893 -3.893 90 HG LEU 17 HG LEU 17 0.297 8.007 -5.400 91 HD11 LEU 17 1HD1 LEU 17 -0.234 9.314 -3.652 92 HD12 LEU 17 2HD1 LEU 17 0.557 8.050 -2.710 93 HD13 LEU 17 3HD1 LEU 17 1.446 9.506 -3.152 94 HD21 LEU 17 1HD2 LEU 17 1.692 9.480 -6.329 95 HD22 LEU 17 2HD2 LEU 17 2.546 9.754 -4.811 96 HD23 LEU 17 3HD2 LEU 17 2.988 8.390 -5.836 97 HA PRO 18 HA PRO 18 3.965 2.167 -5.404 98 HB2 PRO 18 1HB PRO 18 6.423 2.569 -4.324 99 HB3 PRO 18 2HB PRO 18 6.094 2.738 -6.053 100 HG2 PRO 18 1HG PRO 18 6.308 4.858 -3.950 101 HG3 PRO 18 2HG PRO 18 6.962 4.847 -5.598 102 HD2 PRO 18 1HD PRO 18 4.695 6.173 -4.939 103 HD3 PRO 18 2HD PRO 18 4.943 5.443 -6.538 104 H VAL 19 H VAL 19 3.090 1.011 -3.811 105 HA VAL 19 HA VAL 19 3.632 1.816 -1.028 106 HB VAL 19 HB VAL 19 1.430 0.910 -0.394 107 HG11 VAL 19 1HG1 VAL 19 1.722 3.210 -2.251 108 HG12 VAL 19 2HG1 VAL 19 0.091 2.712 -1.796 109 HG13 VAL 19 3HG1 VAL 19 1.251 3.179 -0.552 110 HG21 VAL 19 1HG2 VAL 19 1.474 -0.030 -3.113 111 HG22 VAL 19 2HG2 VAL 19 0.389 -0.469 -1.794 112 HG23 VAL 19 3HG2 VAL 19 0.023 0.925 -2.811 113 H THR 20 H THR 20 4.000 0.176 0.461 114 HA THR 20 HA THR 20 4.029 -2.585 -0.502 115 HB THR 20 HB THR 20 6.324 -2.891 0.530 116 HG1 THR 20 HG1 THR 20 7.580 -0.935 0.625 117 HG21 THR 20 1HG2 THR 20 7.386 -1.514 -1.514 118 HG22 THR 20 2HG2 THR 20 5.694 -1.506 -2.010 119 HG23 THR 20 3HG2 THR 20 6.523 -3.037 -1.729 120 H CYS 21 H CYS 21 3.345 -3.978 1.002 121 HA CYS 21 HA CYS 21 3.427 -3.146 3.824 122 HB2 CYS 21 1HB CYS 21 1.143 -2.867 2.875 123 HB3 CYS 21 2HB CYS 21 1.126 -4.583 2.486 124 HG CYS 21 HG CYS 21 1.500 -3.446 5.687 125 H GLY 22 H GLY 22 4.965 -4.461 4.621 126 HA2 GLY 22 1HA GLY 22 6.058 -6.386 5.229 127 HA3 GLY 22 2HA GLY 22 4.471 -7.138 5.166 128 H LYS 23 H LYS 23 4.149 -8.686 3.705 129 HA LYS 23 HA LYS 23 6.243 -9.138 1.708 130 HB2 LYS 23 1HB LYS 23 4.003 -11.034 2.376 131 HB3 LYS 23 2HB LYS 23 5.558 -11.399 1.641 132 HG2 LYS 23 1HG LYS 23 5.232 -10.423 4.468 133 HG3 LYS 23 2HG LYS 23 5.323 -12.126 4.013 134 HD2 LYS 23 1HD LYS 23 7.545 -11.999 3.463 135 HD3 LYS 23 2HD LYS 23 7.455 -10.286 3.047 136 HE2 LYS 23 1HE LYS 23 7.054 -9.900 5.548 137 HE3 LYS 23 2HE LYS 23 7.618 -11.556 5.763 138 HZ1 LYS 23 1HZ LYS 23 9.148 -9.350 4.494 139 HZ2 LYS 23 2HZ LYS 23 9.689 -10.943 4.661 140 HZ3 LYS 23 3HZ LYS 23 9.424 -9.992 6.035 141 H ALA 24 H ALA 24 3.844 -7.222 1.602 142 HA ALA 24 HA ALA 24 2.777 -8.173 -0.978 143 HB1 ALA 24 1HB ALA 24 1.308 -7.638 1.252 144 HB2 ALA 24 2HB ALA 24 1.228 -6.100 0.393 145 HB3 ALA 24 3HB ALA 24 0.694 -7.581 -0.401 146 H LYS 25 H LYS 25 2.775 -6.787 -2.703 147 HA LYS 25 HA LYS 25 3.721 -4.047 -2.304 148 HB2 LYS 25 1HB LYS 25 4.946 -5.851 -4.391 149 HB3 LYS 25 2HB LYS 25 5.446 -4.222 -3.953 150 HG2 LYS 25 1HG LYS 25 6.187 -5.004 -1.781 151 HG3 LYS 25 2HG LYS 25 5.625 -6.634 -2.158 152 HD2 LYS 25 1HD LYS 25 7.601 -5.257 -3.938 153 HD3 LYS 25 2HD LYS 25 8.135 -6.058 -2.459 154 HE2 LYS 25 1HE LYS 25 6.853 -8.095 -3.311 155 HE3 LYS 25 2HE LYS 25 6.789 -7.260 -4.862 156 HZ1 LYS 25 1HZ LYS 25 8.890 -8.768 -3.788 157 HZ2 LYS 25 2HZ LYS 25 9.423 -7.169 -3.934 158 HZ3 LYS 25 3HZ LYS 25 8.820 -7.986 -5.287 159 H GLY 26 H GLY 26 2.750 -2.599 -3.610 160 HA2 GLY 26 1HA GLY 26 1.636 -3.365 -6.160 161 HA3 GLY 26 2HA GLY 26 0.423 -3.036 -4.931 162 H THR 27 H THR 27 -0.419 -1.223 -5.910 163 HA THR 27 HA THR 27 1.128 1.201 -5.547 164 HB THR 27 HB THR 27 0.005 0.508 -8.269 165 HG1 THR 27 HG1 THR 27 1.937 -0.476 -8.221 166 HG21 THR 27 1HG2 THR 27 -0.249 2.783 -8.240 167 HG22 THR 27 2HG2 THR 27 1.443 2.691 -8.730 168 HG23 THR 27 3HG2 THR 27 1.027 3.020 -7.048 169 H LEU 28 H LEU 28 -0.139 2.768 -4.780 170 HA LEU 28 HA LEU 28 -3.009 2.329 -4.692 171 HB2 LEU 28 1HB LEU 28 -2.077 2.990 -2.626 172 HB3 LEU 28 2HB LEU 28 -1.152 4.284 -3.364 173 HG LEU 28 HG LEU 28 -3.601 5.170 -3.957 174 HD11 LEU 28 1HD1 LEU 28 -4.416 4.424 -1.309 175 HD12 LEU 28 2HD1 LEU 28 -5.271 4.238 -2.840 176 HD13 LEU 28 3HD1 LEU 28 -4.155 2.986 -2.296 177 HD21 LEU 28 1HD2 LEU 28 -3.145 5.891 -1.234 178 HD22 LEU 28 2HD2 LEU 28 -1.595 5.760 -2.063 179 HD23 LEU 28 3HD2 LEU 28 -2.844 6.830 -2.697 180 H PHE 29 H PHE 29 -4.512 3.462 -5.784 181 HA PHE 29 HA PHE 29 -3.547 5.575 -7.594 182 HB2 PHE 29 1HB PHE 29 -5.826 3.615 -7.906 183 HB3 PHE 29 2HB PHE 29 -5.568 4.985 -8.981 184 HD1 PHE 29 HD2 PHE 29 -3.405 2.328 -7.494 185 HD2 PHE 29 HD1 PHE 29 -4.674 4.386 -10.997 186 HE1 PHE 29 HE2 PHE 29 -1.862 0.970 -8.846 187 HE2 PHE 29 HE1 PHE 29 -3.135 3.030 -12.355 188 HZ PHE 29 HZ PHE 29 -1.725 1.320 -11.280 189 H GLN 30 H GLN 30 -3.941 7.446 -6.552 190 HA GLN 30 HA GLN 30 -5.806 8.080 -4.684 191 HB2 GLN 30 1HB GLN 30 -5.295 10.082 -6.846 192 HB3 GLN 30 2HB GLN 30 -5.362 10.315 -5.105 193 HG2 GLN 30 1HG GLN 30 -3.217 8.942 -5.011 194 HG3 GLN 30 2HG GLN 30 -3.128 9.190 -6.754 195 HE21 GLN 30 1HE2 GLN 30 -2.640 10.552 -3.663 196 HE22 GLN 30 2HE2 GLN 30 -2.076 12.101 -4.180 197 H GLU 31 H GLU 31 -6.284 8.045 -8.187 198 HA GLU 31 HA GLU 31 -8.852 9.145 -8.261 199 HB2 GLU 31 1HB GLU 31 -9.080 7.974 -10.437 200 HB3 GLU 31 2HB GLU 31 -7.570 8.861 -10.286 201 HG2 GLU 31 1HG GLU 31 -6.306 6.922 -10.070 202 HG3 GLU 31 2HG GLU 31 -7.709 5.944 -9.644 203 H LYS 32 H LYS 32 -7.765 5.852 -7.667 204 HA LYS 32 HA LYS 32 -10.486 4.845 -7.558 205 HB2 LYS 32 1HB LYS 32 -7.759 3.639 -7.430 206 HB3 LYS 32 2HB LYS 32 -9.100 2.745 -6.726 207 HG2 LYS 32 1HG LYS 32 -10.095 2.368 -8.749 208 HG3 LYS 32 2HG LYS 32 -9.403 3.817 -9.483 209 HD2 LYS 32 1HD LYS 32 -7.174 2.702 -9.416 210 HD3 LYS 32 2HD LYS 32 -7.976 1.235 -8.851 211 HE2 LYS 32 1HE LYS 32 -8.757 2.627 -11.399 212 HE3 LYS 32 2HE LYS 32 -7.494 1.398 -11.343 213 HZ1 LYS 32 1HZ LYS 32 -10.176 0.850 -10.243 214 HZ2 LYS 32 2HZ LYS 32 -9.006 -0.244 -10.785 215 HZ3 LYS 32 3HZ LYS 32 -9.876 0.684 -11.900 216 H LEU 33 H LEU 33 -8.081 6.066 -5.418 217 HA LEU 33 HA LEU 33 -9.026 4.816 -3.034 218 HB2 LEU 33 1HB LEU 33 -6.733 5.870 -3.467 219 HB3 LEU 33 2HB LEU 33 -7.513 7.412 -3.170 220 HG LEU 33 HG LEU 33 -8.136 6.644 -0.905 221 HD11 LEU 33 1HD1 LEU 33 -6.451 4.517 -0.418 222 HD12 LEU 33 2HD1 LEU 33 -8.207 4.446 -0.566 223 HD13 LEU 33 3HD1 LEU 33 -7.190 4.115 -1.968 224 HD21 LEU 33 1HD2 LEU 33 -6.020 6.981 0.061 225 HD22 LEU 33 2HD2 LEU 33 -5.185 6.267 -1.318 226 HD23 LEU 33 3HD2 LEU 33 -5.966 7.840 -1.478 227 H LYS 34 H LYS 34 -9.626 7.912 -4.621 228 HA LYS 34 HA LYS 34 -11.066 9.212 -2.647 229 HB2 LYS 34 1HB LYS 34 -11.385 9.268 -5.648 230 HB3 LYS 34 2HB LYS 34 -12.248 10.357 -4.569 231 HG2 LYS 34 1HG LYS 34 -10.128 11.250 -3.761 232 HG3 LYS 34 2HG LYS 34 -9.253 10.146 -4.825 233 HD2 LYS 34 1HD LYS 34 -10.513 11.213 -6.745 234 HD3 LYS 34 2HD LYS 34 -11.038 12.445 -5.596 235 HE2 LYS 34 1HE LYS 34 -8.878 13.257 -5.293 236 HE3 LYS 34 2HE LYS 34 -8.134 11.779 -5.903 237 HZ1 LYS 34 1HZ LYS 34 -9.069 14.099 -7.341 238 HZ2 LYS 34 2HZ LYS 34 -9.543 12.629 -8.030 239 HZ3 LYS 34 3HZ LYS 34 -7.902 12.953 -7.776 240 H GLN 35 H GLN 35 -12.077 6.666 -4.836 241 HA GLN 35 HA GLN 35 -14.848 6.846 -4.479 242 HB2 GLN 35 1HB GLN 35 -13.235 4.331 -4.932 243 HB3 GLN 35 2HB GLN 35 -14.944 4.556 -5.278 244 HG2 GLN 35 1HG GLN 35 -13.050 6.418 -6.578 245 HG3 GLN 35 2HG GLN 35 -13.056 4.746 -7.137 246 HE21 GLN 35 1HE2 GLN 35 -14.224 4.555 -8.898 247 HE22 GLN 35 2HE2 GLN 35 -15.736 5.330 -9.212 248 H GLY 36 H GLY 36 -12.432 4.912 -2.720 249 HA2 GLY 36 1HA GLY 36 -13.557 5.196 -0.205 250 HA3 GLY 36 2HA GLY 36 -14.312 3.775 -0.912 251 H ALA 37 H ALA 37 -12.337 4.241 1.352 252 HA ALA 37 HA ALA 37 -9.901 2.988 0.534 253 HB1 ALA 37 1HB ALA 37 -9.334 4.062 2.406 254 HB2 ALA 37 2HB ALA 37 -11.001 4.118 2.981 255 HB3 ALA 37 3HB ALA 37 -10.019 2.681 3.263 256 H SER 38 H SER 38 -12.851 1.724 0.589 257 HA SER 38 HA SER 38 -12.066 -0.840 1.785 258 HB2 SER 38 1HB SER 38 -14.459 -1.401 1.727 259 HB3 SER 38 2HB SER 38 -14.187 0.114 2.588 260 HG SER 38 HG SER 38 -14.559 0.936 0.226 261 H LYS 39 H LYS 39 -12.684 0.730 -1.208 262 HA LYS 39 HA LYS 39 -13.133 -1.706 -2.699 263 HB2 LYS 39 1HB LYS 39 -12.674 1.141 -3.606 264 HB3 LYS 39 2HB LYS 39 -13.062 -0.197 -4.679 265 HG2 LYS 39 1HG LYS 39 -15.106 -0.433 -2.991 266 HG3 LYS 39 2HG LYS 39 -14.788 1.292 -2.793 267 HD2 LYS 39 1HD LYS 39 -14.914 0.180 -5.552 268 HD3 LYS 39 2HD LYS 39 -16.424 0.395 -4.664 269 HE2 LYS 39 1HE LYS 39 -14.402 2.602 -4.875 270 HE3 LYS 39 2HE LYS 39 -15.593 2.325 -6.145 271 HZ1 LYS 39 1HZ LYS 39 -15.947 3.408 -3.480 272 HZ2 LYS 39 2HZ LYS 39 -17.146 2.324 -3.979 273 HZ3 LYS 39 3HZ LYS 39 -16.822 3.708 -4.896 274 H LYS 40 H LYS 40 -11.746 -2.197 -4.616 275 HA LYS 40 HA LYS 40 -9.041 -2.530 -3.775 276 HB2 LYS 40 1HB LYS 40 -10.095 -2.994 -6.561 277 HB3 LYS 40 2HB LYS 40 -8.731 -3.780 -5.776 278 HG2 LYS 40 1HG LYS 40 -11.408 -4.089 -4.535 279 HG3 LYS 40 2HG LYS 40 -11.078 -4.965 -6.032 280 HD2 LYS 40 1HD LYS 40 -9.005 -5.860 -4.951 281 HD3 LYS 40 2HD LYS 40 -9.545 -5.123 -3.440 282 HE2 LYS 40 1HE LYS 40 -10.311 -7.305 -3.255 283 HE3 LYS 40 2HE LYS 40 -11.728 -6.441 -3.849 284 HZ1 LYS 40 1HZ LYS 40 -10.703 -7.146 -6.149 285 HZ2 LYS 40 2HZ LYS 40 -11.709 -8.188 -5.277 286 HZ3 LYS 40 3HZ LYS 40 -10.030 -8.388 -5.218 287 H CYS 41 H CYS 41 -7.763 -0.781 -3.687 288 HA CYS 41 HA CYS 41 -7.666 0.966 -6.058 289 HB2 CYS 41 1HB CYS 41 -6.736 2.694 -4.439 290 HB3 CYS 41 2HB CYS 41 -8.441 2.301 -4.260 291 HG CYS 41 HG CYS 41 -8.207 1.988 -1.728 292 H ILE 42 H ILE 42 -5.914 -1.055 -3.885 293 HA ILE 42 HA ILE 42 -3.320 -0.127 -4.831 294 HB ILE 42 HB ILE 42 -4.030 -2.316 -2.874 295 HG12 ILE 42 1HG1 ILE 42 -2.670 0.293 -2.247 296 HG13 ILE 42 2HG1 ILE 42 -4.426 0.181 -2.305 297 HG21 ILE 42 1HG2 ILE 42 -1.418 -1.344 -3.951 298 HG22 ILE 42 2HG2 ILE 42 -1.516 -1.977 -2.309 299 HG23 ILE 42 3HG2 ILE 42 -1.972 -2.995 -3.675 300 HD11 ILE 42 1HD1 ILE 42 -3.562 -0.036 -0.034 301 HD12 ILE 42 2HD1 ILE 42 -4.393 -1.501 -0.559 302 HD13 ILE 42 3HD1 ILE 42 -2.631 -1.451 -0.525 303 H GLN 43 H GLN 43 -2.505 -0.891 -6.657 304 HA GLN 43 HA GLN 43 -3.408 -3.482 -7.668 305 HB2 GLN 43 1HB GLN 43 -3.404 -1.342 -9.075 306 HB3 GLN 43 2HB GLN 43 -1.655 -1.514 -9.125 307 HG2 GLN 43 1HG GLN 43 -1.936 -3.746 -10.134 308 HG3 GLN 43 2HG GLN 43 -3.679 -3.486 -10.157 309 HE21 GLN 43 1HE2 GLN 43 -4.176 -3.282 -12.233 310 HE22 GLN 43 2HE2 GLN 43 -3.436 -2.179 -13.338 311 H ASN 44 H ASN 44 -2.219 -5.219 -7.286 312 HA ASN 44 HA ASN 44 0.442 -5.044 -6.258 313 HB2 ASN 44 1HB ASN 44 0.351 -7.414 -6.041 314 HB3 ASN 44 2HB ASN 44 -1.266 -6.823 -5.671 315 HD21 ASN 44 1HD2 ASN 44 -1.315 -9.318 -6.199 316 HD22 ASN 44 2HD2 ASN 44 -1.823 -9.679 -7.810 317 H GLU 45 H GLU 45 2.116 -6.664 -7.259 318 HA GLU 45 HA GLU 45 2.970 -5.583 -9.695 319 HB2 GLU 45 1HB GLU 45 3.769 -8.237 -8.487 320 HB3 GLU 45 2HB GLU 45 4.674 -7.327 -9.689 321 HG2 GLU 45 1HG GLU 45 4.027 -5.988 -7.122 322 HG3 GLU 45 2HG GLU 45 5.274 -7.234 -7.125 323 H ALA 46 H ALA 46 0.802 -8.175 -8.999 324 HA ALA 46 HA ALA 46 0.972 -9.318 -11.661 325 HB1 ALA 46 1HB ALA 46 0.413 -10.459 -9.313 326 HB2 ALA 46 2HB ALA 46 -1.229 -10.091 -9.841 327 HB3 ALA 46 3HB ALA 46 -0.182 -11.091 -10.848 328 H GLY 47 H GLY 47 -0.260 -6.543 -10.632 329 HA2 GLY 47 1HA GLY 47 -1.699 -5.086 -11.719 330 HA3 GLY 47 2HA GLY 47 -2.165 -6.399 -12.791 331 H ASP 48 H ASP 48 -2.634 -7.959 -10.139 332 HA ASP 48 HA ASP 48 -5.443 -7.550 -10.080 333 HB2 ASP 48 1HB ASP 48 -3.642 -9.095 -8.203 334 HB3 ASP 48 2HB ASP 48 -5.402 -9.167 -8.191 335 H TRP 49 H TRP 49 -6.482 -5.948 -9.116 336 HA TRP 49 HA TRP 49 -5.225 -4.205 -7.247 337 HB2 TRP 49 1HB TRP 49 -8.139 -4.434 -8.030 338 HB3 TRP 49 2HB TRP 49 -7.426 -3.100 -7.126 339 HD1 TRP 49 HD1 TRP 49 -7.325 -4.689 -10.641 340 HE1 TRP 49 HE1 TRP 49 -6.586 -2.881 -12.318 341 HE3 TRP 49 HE3 TRP 49 -6.273 -0.915 -7.356 342 HZ2 TRP 49 HZ2 TRP 49 -5.677 -0.209 -12.256 343 HZ3 TRP 49 HZ3 TRP 49 -5.473 1.235 -8.246 344 HH2 TRP 49 HH2 TRP 49 -5.182 1.578 -10.646 345 H LEU 50 H LEU 50 -5.888 -3.782 -5.069 346 HA LEU 50 HA LEU 50 -7.411 -5.882 -3.728 347 HB2 LEU 50 1HB LEU 50 -4.626 -5.079 -2.880 348 HB3 LEU 50 2HB LEU 50 -5.684 -6.176 -2.011 349 HG LEU 50 HG LEU 50 -4.983 -6.835 -4.833 350 HD11 LEU 50 1HD1 LEU 50 -3.151 -7.769 -2.692 351 HD12 LEU 50 2HD1 LEU 50 -2.860 -7.544 -4.416 352 HD13 LEU 50 3HD1 LEU 50 -2.916 -6.147 -3.343 353 HD21 LEU 50 1HD2 LEU 50 -5.514 -8.412 -2.321 354 HD22 LEU 50 2HD2 LEU 50 -6.561 -8.254 -3.731 355 HD23 LEU 50 3HD2 LEU 50 -5.036 -9.130 -3.860 356 H THR 51 H THR 51 -8.443 -5.219 -1.875 357 HA THR 51 HA THR 51 -8.908 -2.437 -1.583 358 HB THR 51 HB THR 51 -10.304 -3.040 0.339 359 HG1 THR 51 HG1 THR 51 -10.374 -5.203 1.031 360 HG21 THR 51 1HG2 THR 51 -10.717 -5.101 -1.819 361 HG22 THR 51 2HG2 THR 51 -11.064 -3.388 -2.056 362 HG23 THR 51 3HG2 THR 51 -11.936 -4.304 -0.826 363 H VAL 52 H VAL 52 -8.388 -1.044 0.117 364 HA VAL 52 HA VAL 52 -5.861 -0.874 1.025 365 HB VAL 52 HB VAL 52 -8.300 -0.084 2.624 366 HG11 VAL 52 1HG1 VAL 52 -6.728 1.631 3.582 367 HG12 VAL 52 2HG1 VAL 52 -6.425 -0.034 4.083 368 HG13 VAL 52 3HG1 VAL 52 -5.407 0.718 2.854 369 HG21 VAL 52 1HG2 VAL 52 -7.828 0.769 0.172 370 HG22 VAL 52 2HG2 VAL 52 -8.408 1.864 1.427 371 HG23 VAL 52 3HG2 VAL 52 -6.696 1.832 1.008 372 H LYS 53 H LYS 53 -8.289 -3.038 2.217 373 HA LYS 53 HA LYS 53 -6.729 -3.749 4.571 374 HB2 LYS 53 1HB LYS 53 -9.192 -3.591 4.724 375 HB3 LYS 53 2HB LYS 53 -9.336 -4.889 3.546 376 HG2 LYS 53 1HG LYS 53 -7.735 -5.399 5.993 377 HG3 LYS 53 2HG LYS 53 -9.493 -5.334 6.140 378 HD2 LYS 53 1HD LYS 53 -8.212 -6.994 4.003 379 HD3 LYS 53 2HD LYS 53 -8.337 -7.608 5.653 380 HE2 LYS 53 1HE LYS 53 -10.291 -8.403 4.750 381 HE3 LYS 53 2HE LYS 53 -10.838 -6.862 5.408 382 HZ1 LYS 53 1HZ LYS 53 -11.346 -7.602 2.936 383 HZ2 LYS 53 2HZ LYS 53 -9.851 -6.859 2.663 384 HZ3 LYS 53 3HZ LYS 53 -11.118 -5.980 3.358 385 H GLU 54 H GLU 54 -8.009 -5.381 1.673 386 HA GLU 54 HA GLU 54 -6.936 -7.878 1.994 387 HB2 GLU 54 1HB GLU 54 -7.509 -6.204 -0.413 388 HB3 GLU 54 2HB GLU 54 -6.647 -7.721 -0.628 389 HG2 GLU 54 1HG GLU 54 -8.603 -8.694 0.803 390 HG3 GLU 54 2HG GLU 54 -9.445 -7.241 0.266 391 H PHE 55 H PHE 55 -5.339 -5.111 0.419 392 HA PHE 55 HA PHE 55 -2.952 -6.229 -0.290 393 HB2 PHE 55 1HB PHE 55 -3.616 -3.870 -0.717 394 HB3 PHE 55 2HB PHE 55 -3.268 -3.496 0.968 395 HD1 PHE 55 HD1 PHE 55 -1.502 -5.353 -1.749 396 HD2 PHE 55 HD2 PHE 55 -1.329 -2.314 1.225 397 HE1 PHE 55 HE1 PHE 55 0.847 -4.915 -2.337 398 HE2 PHE 55 HE2 PHE 55 1.019 -1.870 0.641 399 HZ PHE 55 HZ PHE 55 2.110 -3.171 -1.143 400 H LEU 56 H LEU 56 -3.845 -4.995 2.911 401 HA LEU 56 HA LEU 56 -1.366 -5.392 4.162 402 HB2 LEU 56 1HB LEU 56 -3.978 -5.723 5.600 403 HB3 LEU 56 2HB LEU 56 -2.476 -5.043 6.197 404 HG LEU 56 HG LEU 56 -4.389 -3.761 4.247 405 HD11 LEU 56 1HD1 LEU 56 -4.239 -1.998 6.172 406 HD12 LEU 56 2HD1 LEU 56 -5.316 -3.387 6.311 407 HD13 LEU 56 3HD1 LEU 56 -3.757 -3.395 7.135 408 HD21 LEU 56 1HD2 LEU 56 -2.503 -2.827 3.433 409 HD22 LEU 56 2HD2 LEU 56 -2.638 -1.815 4.870 410 HD23 LEU 56 3HD2 LEU 56 -1.561 -3.212 4.873 411 H ASN 57 H ASN 57 -4.265 -7.469 4.196 412 HA ASN 57 HA ASN 57 -3.334 -9.574 5.677 413 HB2 ASN 57 1HB ASN 57 -5.276 -9.356 3.422 414 HB3 ASN 57 2HB ASN 57 -4.794 -10.967 3.946 415 HD21 ASN 57 1HD2 ASN 57 -5.769 -7.868 5.378 416 HD22 ASN 57 2HD2 ASN 57 -6.820 -8.555 6.565 417 H GLU 58 H GLU 58 -2.724 -8.903 2.266 418 HA GLU 58 HA GLU 58 -1.502 -11.288 1.532 419 HB2 GLU 58 1HB GLU 58 -1.363 -8.475 0.576 420 HB3 GLU 58 2HB GLU 58 -0.107 -9.576 0.026 421 HG2 GLU 58 1HG GLU 58 -3.074 -9.926 -0.330 422 HG3 GLU 58 2HG GLU 58 -1.908 -9.487 -1.576 423 H GLY 59 H GLY 59 -0.162 -8.468 3.179 424 HA2 GLY 59 1HA GLY 59 2.507 -9.618 3.209 425 HA3 GLY 59 2HA GLY 59 2.027 -8.072 3.895 426 H GLY 60 H GLY 60 -0.154 -9.094 5.465 427 HA2 GLY 60 1HA GLY 60 -0.407 -10.794 7.221 428 HA3 GLY 60 2HA GLY 60 1.337 -10.721 7.430 429 H ARG 61 H ARG 61 -0.779 -7.941 6.999 430 HA ARG 61 HA ARG 61 -0.149 -7.136 9.764 431 HB2 ARG 61 1HB ARG 61 -0.203 -5.579 7.208 432 HB3 ARG 61 2HB ARG 61 -0.575 -4.762 8.721 433 HG2 ARG 61 1HG ARG 61 1.938 -6.354 8.296 434 HG3 ARG 61 2HG ARG 61 1.814 -4.628 7.950 435 HD2 ARG 61 1HD ARG 61 0.994 -4.371 10.346 436 HD3 ARG 61 2HD ARG 61 1.544 -6.027 10.597 437 HE ARG 61 HE ARG 61 3.191 -3.671 10.263 438 HH11 ARG 61 1HH1 ARG 61 3.037 -7.149 10.241 439 HH12 ARG 61 2HH1 ARG 61 4.735 -7.356 10.518 440 HH21 ARG 61 1HH2 ARG 61 5.427 -3.930 10.629 441 HH22 ARG 61 2HH2 ARG 61 6.093 -5.524 10.739 442 H ALA 62 H ALA 62 -2.533 -8.478 8.248 443 HA ALA 62 HA ALA 62 -4.776 -6.908 8.217 444 HB1 ALA 62 1HB ALA 62 -4.561 -9.764 9.163 445 HB2 ALA 62 2HB ALA 62 -6.062 -8.950 8.719 446 HB3 ALA 62 3HB ALA 62 -4.812 -9.219 7.504 447 H THR 63 H THR 63 -3.189 -8.343 11.020 448 HA THR 63 HA THR 63 -5.116 -7.876 12.963 449 HB THR 63 HB THR 63 -3.165 -7.704 14.570 450 HG1 THR 63 HG1 THR 63 -1.850 -7.513 12.145 451 HG21 THR 63 1HG2 THR 63 -3.725 -9.881 14.574 452 HG22 THR 63 2HG2 THR 63 -2.293 -10.097 13.567 453 HG23 THR 63 3HG2 THR 63 -3.882 -9.938 12.819 454 H SER 64 H SER 64 -2.648 -5.701 11.668 455 HA SER 64 HA SER 64 -3.097 -3.579 13.478 456 HB2 SER 64 1HB SER 64 -1.813 -3.791 10.773 457 HB3 SER 64 2HB SER 64 -2.068 -2.208 11.508 458 HG SER 64 HG SER 64 -0.094 -3.864 11.968 459 H LYS 65 H LYS 65 -4.263 -1.658 13.238 460 HA LYS 65 HA LYS 65 -6.661 -1.931 11.602 461 HB2 LYS 65 1HB LYS 65 -7.528 -0.056 12.934 462 HB3 LYS 65 2HB LYS 65 -6.959 -1.370 13.956 463 HG2 LYS 65 1HG LYS 65 -4.752 -0.007 14.036 464 HG3 LYS 65 2HG LYS 65 -5.775 1.334 13.517 465 HD2 LYS 65 1HD LYS 65 -6.618 -0.362 15.828 466 HD3 LYS 65 2HD LYS 65 -5.388 0.883 16.062 467 HE2 LYS 65 1HE LYS 65 -6.948 2.550 15.121 468 HE3 LYS 65 2HE LYS 65 -8.177 1.293 14.984 469 HZ1 LYS 65 1HZ LYS 65 -8.741 2.133 16.992 470 HZ2 LYS 65 2HZ LYS 65 -7.177 2.663 17.357 471 HZ3 LYS 65 3HZ LYS 65 -7.577 1.029 17.531 472 H ASP 66 H ASP 66 -4.249 0.601 12.306 473 HA ASP 66 HA ASP 66 -5.073 2.267 10.154 474 HB2 ASP 66 1HB ASP 66 -2.346 2.354 11.427 475 HB3 ASP 66 2HB ASP 66 -3.284 3.683 10.752 476 H TRP 67 H TRP 67 -4.874 1.699 8.094 477 HA TRP 67 HA TRP 67 -2.913 -0.184 7.192 478 HB2 TRP 67 1HB TRP 67 -3.845 0.355 4.924 479 HB3 TRP 67 2HB TRP 67 -5.048 -0.174 6.097 480 HD1 TRP 67 HD1 TRP 67 -6.727 1.732 7.064 481 HE1 TRP 67 HE1 TRP 67 -7.518 3.951 6.027 482 HE3 TRP 67 HE3 TRP 67 -3.143 2.265 3.457 483 HZ2 TRP 67 HZ2 TRP 67 -6.728 5.696 3.954 484 HZ3 TRP 67 HZ3 TRP 67 -3.233 4.237 1.988 485 HH2 TRP 67 HH2 TRP 67 -4.989 5.915 2.232 486 H LYS 68 H LYS 68 -3.224 3.299 7.210 487 HA LYS 68 HA LYS 68 -1.190 3.884 5.338 488 HB2 LYS 68 1HB LYS 68 -2.190 5.530 7.670 489 HB3 LYS 68 2HB LYS 68 -1.194 6.136 6.353 490 HG2 LYS 68 1HG LYS 68 -2.935 5.840 4.778 491 HG3 LYS 68 2HG LYS 68 -3.900 4.902 5.920 492 HD2 LYS 68 1HD LYS 68 -3.884 7.011 7.374 493 HD3 LYS 68 2HD LYS 68 -3.319 7.850 5.928 494 HE2 LYS 68 1HE LYS 68 -5.296 7.222 4.722 495 HE3 LYS 68 2HE LYS 68 -5.827 6.180 6.041 496 HZ1 LYS 68 1HZ LYS 68 -6.782 7.894 7.043 497 HZ2 LYS 68 2HZ LYS 68 -6.474 8.826 5.666 498 HZ3 LYS 68 3HZ LYS 68 -5.377 8.833 6.954 499 H GLY 69 H GLY 69 -1.097 2.784 8.590 500 HA2 GLY 69 1HA GLY 69 1.594 3.747 9.095 501 HA3 GLY 69 2HA GLY 69 0.621 2.751 10.168 502 H VAL 70 H VAL 70 0.031 0.598 8.564 503 HA VAL 70 HA VAL 70 2.444 -0.893 8.719 504 HB VAL 70 HB VAL 70 1.158 -2.749 7.770 505 HG11 VAL 70 1HG1 VAL 70 -0.384 -1.180 9.835 506 HG12 VAL 70 2HG1 VAL 70 -0.549 -2.908 9.515 507 HG13 VAL 70 3HG1 VAL 70 0.965 -2.269 10.155 508 HG21 VAL 70 1HG2 VAL 70 -1.419 -1.432 7.686 509 HG22 VAL 70 2HG2 VAL 70 -0.298 -0.750 6.508 510 HG23 VAL 70 3HG2 VAL 70 -0.649 -2.479 6.493 511 H ILE 71 H ILE 71 0.776 0.764 6.142 512 HA ILE 71 HA ILE 71 2.407 -0.447 4.072 513 HB ILE 71 HB ILE 71 0.388 1.794 3.910 514 HG12 ILE 71 1HG1 ILE 71 0.150 -1.092 3.038 515 HG13 ILE 71 2HG1 ILE 71 -0.505 -0.456 4.543 516 HG21 ILE 71 1HG2 ILE 71 1.002 0.347 1.462 517 HG22 ILE 71 2HG2 ILE 71 0.894 2.082 1.755 518 HG23 ILE 71 3HG2 ILE 71 2.390 1.220 2.111 519 HD11 ILE 71 1HD1 ILE 71 -1.316 1.015 2.147 520 HD12 ILE 71 2HD1 ILE 71 -1.876 -0.656 2.221 521 HD13 ILE 71 3HD1 ILE 71 -2.268 0.464 3.526 522 H ARG 72 H ARG 72 4.289 0.317 3.374 523 HA ARG 72 HA ARG 72 5.039 3.068 4.117 524 HB2 ARG 72 1HB ARG 72 6.902 0.737 3.642 525 HB3 ARG 72 2HB ARG 72 7.345 2.340 4.215 526 HG2 ARG 72 1HG ARG 72 5.989 1.938 6.247 527 HG3 ARG 72 2HG ARG 72 5.693 0.294 5.679 528 HD2 ARG 72 1HD ARG 72 8.069 -0.183 5.736 529 HD3 ARG 72 2HD ARG 72 8.415 1.481 6.203 530 HE ARG 72 HE ARG 72 7.410 -0.636 7.900 531 HH11 ARG 72 1HH1 ARG 72 7.897 2.786 7.484 532 HH12 ARG 72 2HH1 ARG 72 7.819 3.135 9.180 533 HH21 ARG 72 1HH2 ARG 72 7.307 -0.189 10.134 534 HH22 ARG 72 2HH2 ARG 72 7.485 1.442 10.686 535 H CYS 73 H CYS 73 5.789 4.422 2.569 536 HA CYS 73 HA CYS 73 6.043 3.334 -0.158 537 HB2 CYS 73 1HB CYS 73 4.013 4.605 -0.080 538 HB3 CYS 73 2HB CYS 73 4.808 5.934 0.755 539 HG CYS 73 HG CYS 73 4.108 6.352 -2.079 540 H ASN 74 H ASN 74 8.128 3.360 -0.682 541 HA ASN 74 HA ASN 74 10.244 4.095 -1.079 542 HB2 ASN 74 1HB ASN 74 8.683 6.624 -0.919 543 HB3 ASN 74 2HB ASN 74 10.438 6.752 -0.838 544 HD21 ASN 74 1HD2 ASN 74 7.758 5.556 -2.766 545 HD22 ASN 74 2HD2 ASN 74 8.587 5.599 -4.281 546 H GLY 75 H GLY 75 9.419 3.329 1.596 547 HA2 GLY 75 1HA GLY 75 10.686 3.083 3.542 548 HA3 GLY 75 2HA GLY 75 11.700 4.421 3.022 549 H GLU 76 H GLU 76 8.649 5.507 2.631 550 HA GLU 76 HA GLU 76 8.491 6.538 5.387 551 HB2 GLU 76 1HB GLU 76 8.109 7.991 2.775 552 HB3 GLU 76 2HB GLU 76 7.482 8.617 4.294 553 HG2 GLU 76 1HG GLU 76 9.474 9.704 4.217 554 HG3 GLU 76 2HG GLU 76 9.961 8.251 5.087 555 H THR 77 H THR 77 6.644 6.118 6.390 556 HA THR 77 HA THR 77 4.565 4.637 5.257 557 HB THR 77 HB THR 77 3.267 5.190 7.290 558 HG1 THR 77 HG1 THR 77 5.450 6.685 8.253 559 HG21 THR 77 1HG2 THR 77 5.879 4.751 8.517 560 HG22 THR 77 2HG2 THR 77 5.589 3.723 7.113 561 HG23 THR 77 3HG2 THR 77 4.462 3.703 8.469 562 H LEU 78 H LEU 78 2.483 5.162 4.592 563 HA LEU 78 HA LEU 78 2.103 7.325 2.966 564 HB2 LEU 78 1HB LEU 78 -0.011 5.875 4.562 565 HB3 LEU 78 2HB LEU 78 -0.325 6.907 3.180 566 HG LEU 78 HG LEU 78 1.284 4.353 3.093 567 HD11 LEU 78 1HD1 LEU 78 -0.569 3.201 2.538 568 HD12 LEU 78 2HD1 LEU 78 -1.385 4.479 3.438 569 HD13 LEU 78 3HD1 LEU 78 -1.288 4.563 1.679 570 HD21 LEU 78 1HD2 LEU 78 1.886 4.906 1.027 571 HD22 LEU 78 2HD2 LEU 78 0.227 5.313 0.591 572 HD23 LEU 78 3HD2 LEU 78 1.262 6.525 1.344 573 H ARG 79 H ARG 79 1.073 7.053 6.360 574 HA ARG 79 HA ARG 79 -0.159 9.503 6.660 575 HB2 ARG 79 1HB ARG 79 -0.176 7.788 8.398 576 HB3 ARG 79 2HB ARG 79 1.545 8.022 8.671 577 HG2 ARG 79 1HG ARG 79 0.887 10.467 9.193 578 HG3 ARG 79 2HG ARG 79 -0.739 9.809 9.384 579 HD2 ARG 79 1HD ARG 79 0.458 9.916 11.520 580 HD3 ARG 79 2HD ARG 79 0.065 8.257 11.071 581 HE ARG 79 HE ARG 79 2.616 8.744 10.121 582 HH11 ARG 79 1HH1 ARG 79 0.997 8.677 13.202 583 HH12 ARG 79 2HH1 ARG 79 2.410 8.197 14.081 584 HH21 ARG 79 1HH2 ARG 79 4.484 8.111 11.267 585 HH22 ARG 79 2HH2 ARG 79 4.393 7.876 12.980 586 H HIS 80 H HIS 80 3.287 8.729 7.050 587 HA HIS 80 HA HIS 80 4.187 11.236 7.850 588 HB2 HIS 80 1HB HIS 80 5.478 9.021 7.703 589 HB3 HIS 80 2HB HIS 80 5.766 9.441 6.017 590 HD1 HIS 80 HD1 HIS 80 6.899 10.162 9.450 591 HD2 HIS 80 HD2 HIS 80 7.408 11.761 5.649 592 HE1 HIS 80 HE1 HIS 80 8.870 11.713 9.631 593 HE2 HIS 80 HE2 HIS 80 9.106 12.734 7.340 594 H LEU 81 H LEU 81 3.720 9.940 4.586 595 HA LEU 81 HA LEU 81 4.767 12.133 3.177 596 HB2 LEU 81 1HB LEU 81 2.585 10.229 2.321 597 HB3 LEU 81 2HB LEU 81 3.519 11.264 1.257 598 HG LEU 81 HG LEU 81 4.737 9.080 2.944 599 HD11 LEU 81 1HD1 LEU 81 3.151 8.855 0.585 600 HD12 LEU 81 2HD1 LEU 81 4.822 8.441 0.199 601 HD13 LEU 81 3HD1 LEU 81 3.979 7.590 1.493 602 HD21 LEU 81 1HD2 LEU 81 5.750 10.984 0.879 603 HD22 LEU 81 2HD2 LEU 81 6.468 10.508 2.417 604 HD23 LEU 81 3HD2 LEU 81 6.498 9.396 1.049 605 H GLU 82 H GLU 82 1.485 11.417 4.295 606 HA GLU 82 HA GLU 82 0.206 13.606 3.085 607 HB2 GLU 82 1HB GLU 82 -0.995 11.674 4.037 608 HB3 GLU 82 2HB GLU 82 -0.523 12.184 5.652 609 HG2 GLU 82 1HG GLU 82 -1.724 14.371 5.124 610 HG3 GLU 82 2HG GLU 82 -2.426 13.510 3.756 611 H GLN 83 H GLN 83 1.658 13.237 6.300 612 HA GLN 83 HA GLN 83 0.961 15.707 7.367 613 HB2 GLN 83 1HB GLN 83 3.528 14.183 7.843 614 HB3 GLN 83 2HB GLN 83 2.842 15.414 8.896 615 HG2 GLN 83 1HG GLN 83 1.225 13.004 8.225 616 HG3 GLN 83 2HG GLN 83 2.518 12.880 9.418 617 HE21 GLN 83 1HE2 GLN 83 0.497 12.307 10.676 618 HE22 GLN 83 2HE2 GLN 83 -0.292 13.607 11.496 619 H LYS 84 H LYS 84 3.650 14.820 5.267 620 HA LYS 84 HA LYS 84 4.785 17.478 5.346 621 HB2 LYS 84 1HB LYS 84 5.457 15.014 3.735 622 HB3 LYS 84 2HB LYS 84 6.321 16.537 3.577 623 HG2 LYS 84 1HG LYS 84 7.330 16.339 5.624 624 HG3 LYS 84 2HG LYS 84 6.049 15.315 6.278 625 HD2 LYS 84 1HD LYS 84 7.795 13.817 6.001 626 HD3 LYS 84 2HD LYS 84 6.869 13.597 4.515 627 HE2 LYS 84 1HE LYS 84 9.197 13.725 3.952 628 HE3 LYS 84 2HE LYS 84 8.404 15.197 3.392 629 HZ1 LYS 84 1HZ LYS 84 10.501 15.702 4.453 630 HZ2 LYS 84 2HZ LYS 84 10.015 14.922 5.872 631 HZ3 LYS 84 3HZ LYS 84 9.228 16.333 5.370 632 H GLY 85 H GLY 85 2.026 16.592 4.121 633 HA2 GLY 85 1HA GLY 85 0.667 17.416 2.465 634 HA3 GLY 85 2HA GLY 85 1.880 18.662 2.213 635 H LEU 86 H LEU 86 2.495 15.222 1.888 636 HA LEU 86 HA LEU 86 3.095 15.674 -0.949 637 HB2 LEU 86 1HB LEU 86 3.884 13.301 0.733 638 HB3 LEU 86 2HB LEU 86 4.516 13.748 -0.840 639 HG LEU 86 HG LEU 86 4.903 15.399 1.656 640 HD11 LEU 86 1HD1 LEU 86 6.222 12.984 0.776 641 HD12 LEU 86 2HD1 LEU 86 7.345 14.341 0.863 642 HD13 LEU 86 3HD1 LEU 86 6.402 13.885 2.281 643 HD21 LEU 86 1HD2 LEU 86 6.147 15.517 -1.089 644 HD22 LEU 86 2HD2 LEU 86 5.058 16.703 -0.369 645 HD23 LEU 86 3HD2 LEU 86 6.672 16.467 0.302 646 H LEU 87 H LEU 87 1.279 13.598 1.239 647 HA LEU 87 HA LEU 87 -0.014 12.338 -1.086 648 HB2 LEU 87 1HB LEU 87 1.136 10.839 0.544 649 HB3 LEU 87 2HB LEU 87 0.015 11.383 1.778 650 HG LEU 87 HG LEU 87 -1.797 10.548 0.055 651 HD11 LEU 87 1HD1 LEU 87 -0.192 8.306 -0.649 652 HD12 LEU 87 2HD1 LEU 87 -1.059 9.424 -1.702 653 HD13 LEU 87 3HD1 LEU 87 0.601 9.774 -1.221 654 HD21 LEU 87 1HD2 LEU 87 -1.578 8.252 1.114 655 HD22 LEU 87 2HD2 LEU 87 -0.137 8.873 1.918 656 HD23 LEU 87 3HD2 LEU 87 -1.705 9.621 2.218 657 H PHE 88 H PHE 88 -2.245 12.272 -1.240 658 HA PHE 88 HA PHE 88 -3.631 14.336 0.277 659 HB2 PHE 88 1HB PHE 88 -5.158 14.442 -1.454 660 HB3 PHE 88 2HB PHE 88 -3.716 13.920 -2.318 661 HD1 PHE 88 HD1 PHE 88 -3.473 11.171 -2.092 662 HD2 PHE 88 HD2 PHE 88 -7.072 13.441 -2.191 663 HE1 PHE 88 HE1 PHE 88 -4.687 9.202 -2.929 664 HE2 PHE 88 HE2 PHE 88 -8.293 11.475 -3.028 665 HZ PHE 88 HZ PHE 88 -7.101 9.352 -3.397 666 H SER 89 H SER 89 -3.706 10.864 -0.252 667 HA SER 89 HA SER 89 -4.916 9.181 0.705 668 HB2 SER 89 1HB SER 89 -3.527 10.349 2.636 669 HB3 SER 89 2HB SER 89 -5.135 10.768 3.228 670 HG SER 89 HG SER 89 -3.870 8.314 3.110 671 H GLY 90 H GLY 90 -6.541 10.782 -0.795 672 HA2 GLY 90 1HA GLY 90 -8.813 10.990 -1.162 673 HA3 GLY 90 2HA GLY 90 -9.090 10.302 0.431 674 HA PRO 91 HA PRO 91 -9.612 15.074 0.227 675 HB2 PRO 91 1HB PRO 91 -12.267 15.259 -0.307 676 HB3 PRO 91 2HB PRO 91 -11.031 15.265 -1.570 677 HG2 PRO 91 1HG PRO 91 -12.753 13.010 -0.616 678 HG3 PRO 91 2HG PRO 91 -12.322 13.464 -2.275 679 HD2 PRO 91 1HD PRO 91 -11.099 11.442 -0.954 680 HD3 PRO 91 2HD PRO 91 -10.258 12.447 -2.151 681 H SER 92 H SER 92 -12.168 12.780 1.201 682 HA SER 92 HA SER 92 -12.944 14.283 3.483 683 HB2 SER 92 1HB SER 92 -14.182 12.189 4.113 684 HB3 SER 92 2HB SER 92 -14.534 12.772 2.486 685 HG SER 92 HG SER 92 -13.326 10.445 3.300 686 H SER 93 H SER 93 -11.111 11.245 3.151 687 HA SER 93 HA SER 93 -10.490 10.975 5.880 688 HB2 SER 93 1HB SER 93 -9.405 9.821 3.344 689 HB3 SER 93 2HB SER 93 -8.488 9.598 4.834 690 HG SER 93 HG SER 93 -10.163 7.965 4.242 691 H GLY 94 H GLY 94 -8.946 11.832 7.145 692 HA2 GLY 94 1HA GLY 94 -6.450 12.782 6.326 693 HA3 GLY 94 2HA GLY 94 -7.555 14.149 6.325 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 6.845 -9.456 -24.904 2 HA2 GLY 1 1HA GLY 1 5.412 -10.914 -22.824 3 HA3 GLY 1 2HA GLY 1 5.927 -9.235 -22.754 4 H SER 2 H SER 2 4.698 -7.658 -23.977 5 HA SER 2 HA SER 2 1.999 -8.512 -24.730 6 HB2 SER 2 1HB SER 2 2.610 -6.264 -22.795 7 HB3 SER 2 2HB SER 2 1.018 -6.612 -23.469 8 HG SER 2 HG SER 2 1.663 -8.866 -22.526 9 H SER 3 H SER 3 0.778 -6.454 -25.598 10 HA SER 3 HA SER 3 2.617 -5.159 -27.494 11 HB2 SER 3 1HB SER 3 -0.287 -5.932 -27.685 12 HB3 SER 3 2HB SER 3 0.418 -4.744 -28.782 13 HG SER 3 HG SER 3 0.457 -6.969 -29.536 14 H GLY 4 H GLY 4 3.199 -3.238 -26.662 15 HA2 GLY 4 1HA GLY 4 2.872 -0.963 -26.288 16 HA3 GLY 4 2HA GLY 4 1.136 -1.237 -26.302 17 H SER 5 H SER 5 4.028 -1.852 -24.328 18 HA SER 5 HA SER 5 2.806 -2.520 -21.945 19 HB2 SER 5 1HB SER 5 5.389 -1.104 -22.556 20 HB3 SER 5 2HB SER 5 4.891 -1.399 -20.891 21 HG SER 5 HG SER 5 4.631 -3.620 -22.428 22 H SER 6 H SER 6 3.602 0.714 -23.169 23 HA SER 6 HA SER 6 2.578 2.084 -20.890 24 HB2 SER 6 1HB SER 6 3.459 2.906 -23.637 25 HB3 SER 6 2HB SER 6 2.600 4.059 -22.615 26 HG SER 6 HG SER 6 4.879 4.176 -22.352 27 H GLY 7 H GLY 7 0.630 3.135 -20.599 28 HA2 GLY 7 1HA GLY 7 -1.368 3.480 -22.535 29 HA3 GLY 7 2HA GLY 7 -1.658 1.946 -21.728 30 H ASN 8 H ASN 8 -2.555 1.923 -19.725 31 HA ASN 8 HA ASN 8 -3.688 4.405 -18.785 32 HB2 ASN 8 1HB ASN 8 -4.908 2.181 -18.834 33 HB3 ASN 8 2HB ASN 8 -3.901 1.693 -17.474 34 HD21 ASN 8 1HD2 ASN 8 -6.379 3.904 -18.553 35 HD22 ASN 8 2HD2 ASN 8 -6.952 4.334 -16.981 36 H ASP 9 H ASP 9 -0.716 3.604 -18.564 37 HA ASP 9 HA ASP 9 -0.446 4.231 -15.696 38 HB2 ASP 9 1HB ASP 9 1.493 2.902 -15.546 39 HB3 ASP 9 2HB ASP 9 0.368 1.932 -16.493 40 H ALA 10 H ALA 10 0.408 6.151 -15.279 41 HA ALA 10 HA ALA 10 1.882 7.531 -17.414 42 HB1 ALA 10 1HB ALA 10 0.969 9.478 -16.739 43 HB2 ALA 10 2HB ALA 10 -0.251 8.419 -16.031 44 HB3 ALA 10 3HB ALA 10 1.056 9.052 -15.030 45 H VAL 11 H VAL 11 3.995 7.883 -17.218 46 HA VAL 11 HA VAL 11 5.569 6.797 -15.207 47 HB VAL 11 HB VAL 11 6.474 7.400 -17.395 48 HG11 VAL 11 1HG1 VAL 11 6.644 9.534 -18.221 49 HG12 VAL 11 2HG1 VAL 11 5.138 9.659 -17.309 50 HG13 VAL 11 3HG1 VAL 11 6.641 10.272 -16.620 51 HG21 VAL 11 1HG2 VAL 11 7.761 7.567 -15.001 52 HG22 VAL 11 2HG2 VAL 11 8.552 7.637 -16.576 53 HG23 VAL 11 3HG2 VAL 11 8.151 9.128 -15.723 54 H ASP 12 H ASP 12 4.303 10.078 -15.550 55 HA ASP 12 HA ASP 12 5.648 11.455 -13.625 56 HB2 ASP 12 1HB ASP 12 2.691 11.536 -14.249 57 HB3 ASP 12 2HB ASP 12 3.510 12.724 -13.238 58 H PHE 13 H PHE 13 3.441 8.834 -13.156 59 HA PHE 13 HA PHE 13 2.651 7.765 -11.305 60 HB2 PHE 13 1HB PHE 13 5.369 8.721 -10.484 61 HB3 PHE 13 2HB PHE 13 4.340 7.918 -9.302 62 HD1 PHE 13 HD2 PHE 13 3.016 5.887 -10.963 63 HD2 PHE 13 HD1 PHE 13 7.063 7.204 -10.918 64 HE1 PHE 13 HE2 PHE 13 3.734 3.698 -11.826 65 HE2 PHE 13 HE1 PHE 13 7.788 5.017 -11.782 66 HZ PHE 13 HZ PHE 13 6.123 3.260 -12.236 67 H SER 14 H SER 14 1.552 10.298 -11.674 68 HA SER 14 HA SER 14 1.570 11.723 -9.166 69 HB2 SER 14 1HB SER 14 0.401 12.119 -11.853 70 HB3 SER 14 2HB SER 14 -0.535 12.784 -10.514 71 HG SER 14 HG SER 14 1.045 14.248 -11.378 72 HA PRO 15 HA PRO 15 -2.959 10.142 -8.854 73 HB2 PRO 15 1HB PRO 15 -3.884 8.501 -10.810 74 HB3 PRO 15 2HB PRO 15 -3.993 10.263 -10.903 75 HG2 PRO 15 1HG PRO 15 -2.000 8.420 -12.164 76 HG3 PRO 15 2HG PRO 15 -2.824 9.825 -12.864 77 HD2 PRO 15 1HD PRO 15 -0.278 9.936 -11.948 78 HD3 PRO 15 2HD PRO 15 -1.383 11.324 -11.869 79 H THR 16 H THR 16 -0.202 8.401 -9.335 80 HA THR 16 HA THR 16 -1.286 6.108 -7.857 81 HB THR 16 HB THR 16 0.142 4.560 -9.151 82 HG1 THR 16 HG1 THR 16 0.880 6.951 -10.367 83 HG21 THR 16 1HG2 THR 16 -1.287 4.366 -11.045 84 HG22 THR 16 2HG2 THR 16 -1.684 6.084 -11.002 85 HG23 THR 16 3HG2 THR 16 -2.271 5.010 -9.732 86 H LEU 17 H LEU 17 0.034 5.295 -6.286 87 HA LEU 17 HA LEU 17 2.749 6.397 -6.072 88 HB2 LEU 17 1HB LEU 17 0.857 6.141 -3.738 89 HB3 LEU 17 2HB LEU 17 2.467 6.836 -3.723 90 HG LEU 17 HG LEU 17 0.173 8.007 -5.292 91 HD11 LEU 17 1HD1 LEU 17 1.074 9.441 -2.916 92 HD12 LEU 17 2HD1 LEU 17 -0.558 9.131 -3.507 93 HD13 LEU 17 3HD1 LEU 17 0.286 7.904 -2.564 94 HD21 LEU 17 1HD2 LEU 17 1.694 10.047 -5.088 95 HD22 LEU 17 2HD2 LEU 17 2.957 8.908 -4.623 96 HD23 LEU 17 3HD2 LEU 17 2.189 8.775 -6.205 97 HA PRO 18 HA PRO 18 3.848 2.186 -5.373 98 HB2 PRO 18 1HB PRO 18 6.305 2.591 -4.292 99 HB3 PRO 18 2HB PRO 18 5.967 2.798 -6.015 100 HG2 PRO 18 1HG PRO 18 6.163 4.868 -3.861 101 HG3 PRO 18 2HG PRO 18 6.812 4.905 -5.511 102 HD2 PRO 18 1HD PRO 18 4.532 6.188 -4.813 103 HD3 PRO 18 2HD PRO 18 4.783 5.500 -6.430 104 H VAL 19 H VAL 19 2.873 1.061 -3.806 105 HA VAL 19 HA VAL 19 3.402 1.815 -1.004 106 HB VAL 19 HB VAL 19 1.254 0.762 -0.420 107 HG11 VAL 19 1HG1 VAL 19 1.337 3.042 -2.354 108 HG12 VAL 19 2HG1 VAL 19 -0.207 2.471 -1.717 109 HG13 VAL 19 3HG1 VAL 19 1.040 3.058 -0.616 110 HG21 VAL 19 1HG2 VAL 19 -0.330 0.431 -2.443 111 HG22 VAL 19 2HG2 VAL 19 1.161 0.260 -3.370 112 HG23 VAL 19 3HG2 VAL 19 0.820 -0.843 -2.037 113 H THR 20 H THR 20 3.760 0.160 0.502 114 HA THR 20 HA THR 20 3.998 -2.577 -0.469 115 HB THR 20 HB THR 20 6.307 -2.786 0.483 116 HG1 THR 20 HG1 THR 20 6.435 -0.940 1.748 117 HG21 THR 20 1HG2 THR 20 6.239 -2.733 -1.856 118 HG22 THR 20 2HG2 THR 20 7.399 -1.470 -1.443 119 HG23 THR 20 3HG2 THR 20 5.750 -1.040 -1.895 120 H CYS 21 H CYS 21 3.377 -3.990 1.040 121 HA CYS 21 HA CYS 21 3.409 -3.132 3.857 122 HB2 CYS 21 1HB CYS 21 1.116 -3.050 2.913 123 HB3 CYS 21 2HB CYS 21 1.241 -4.759 2.515 124 HG CYS 21 HG CYS 21 1.743 -3.886 5.743 125 H GLY 22 H GLY 22 5.029 -4.309 4.700 126 HA2 GLY 22 1HA GLY 22 6.195 -6.143 5.436 127 HA3 GLY 22 2HA GLY 22 4.727 -7.065 5.150 128 H LYS 23 H LYS 23 4.810 -8.596 3.647 129 HA LYS 23 HA LYS 23 7.123 -8.638 1.845 130 HB2 LYS 23 1HB LYS 23 6.628 -11.021 1.558 131 HB3 LYS 23 2HB LYS 23 6.819 -10.611 3.258 132 HG2 LYS 23 1HG LYS 23 4.318 -10.480 3.405 133 HG3 LYS 23 2HG LYS 23 4.261 -11.151 1.773 134 HD2 LYS 23 1HD LYS 23 5.866 -12.550 3.863 135 HD3 LYS 23 2HD LYS 23 4.109 -12.716 3.877 136 HE2 LYS 23 1HE LYS 23 4.066 -13.858 1.892 137 HE3 LYS 23 2HE LYS 23 5.546 -13.105 1.301 138 HZ1 LYS 23 1HZ LYS 23 5.240 -15.588 2.571 139 HZ2 LYS 23 2HZ LYS 23 6.197 -14.605 3.560 140 HZ3 LYS 23 3HZ LYS 23 6.652 -14.889 1.956 141 H ALA 24 H ALA 24 4.411 -7.187 1.584 142 HA ALA 24 HA ALA 24 3.693 -8.262 -1.064 143 HB1 ALA 24 1HB ALA 24 1.849 -6.373 0.256 144 HB2 ALA 24 2HB ALA 24 1.509 -7.830 -0.679 145 HB3 ALA 24 3HB ALA 24 2.010 -7.960 1.007 146 H LYS 25 H LYS 25 3.226 -6.754 -2.751 147 HA LYS 25 HA LYS 25 4.129 -4.004 -2.341 148 HB2 LYS 25 1HB LYS 25 5.213 -5.752 -4.556 149 HB3 LYS 25 2HB LYS 25 5.622 -4.068 -4.255 150 HG2 LYS 25 1HG LYS 25 6.744 -4.632 -2.223 151 HG3 LYS 25 2HG LYS 25 6.180 -6.302 -2.318 152 HD2 LYS 25 1HD LYS 25 7.856 -5.088 -4.492 153 HD3 LYS 25 2HD LYS 25 8.590 -5.795 -3.051 154 HE2 LYS 25 1HE LYS 25 6.553 -7.383 -4.528 155 HE3 LYS 25 2HE LYS 25 8.159 -7.220 -5.237 156 HZ1 LYS 25 1HZ LYS 25 8.440 -9.072 -3.960 157 HZ2 LYS 25 2HZ LYS 25 7.347 -8.576 -2.769 158 HZ3 LYS 25 3HZ LYS 25 8.892 -7.892 -2.835 159 H GLY 26 H GLY 26 3.025 -2.534 -3.527 160 HA2 GLY 26 1HA GLY 26 1.613 -3.301 -5.933 161 HA3 GLY 26 2HA GLY 26 0.568 -2.948 -4.565 162 H THR 27 H THR 27 -0.345 -1.182 -5.677 163 HA THR 27 HA THR 27 1.160 1.269 -5.351 164 HB THR 27 HB THR 27 0.087 0.517 -8.077 165 HG1 THR 27 HG1 THR 27 2.035 -0.245 -8.347 166 HG21 THR 27 1HG2 THR 27 1.749 2.936 -7.518 167 HG22 THR 27 2HG2 THR 27 0.017 2.982 -7.185 168 HG23 THR 27 3HG2 THR 27 0.593 2.643 -8.816 169 H LEU 28 H LEU 28 -0.150 2.786 -4.570 170 HA LEU 28 HA LEU 28 -3.010 2.313 -4.539 171 HB2 LEU 28 1HB LEU 28 -2.088 3.012 -2.470 172 HB3 LEU 28 2HB LEU 28 -1.222 4.340 -3.219 173 HG LEU 28 HG LEU 28 -3.712 5.104 -3.820 174 HD11 LEU 28 1HD1 LEU 28 -4.193 3.988 -1.102 175 HD12 LEU 28 2HD1 LEU 28 -5.344 4.453 -2.355 176 HD13 LEU 28 3HD1 LEU 28 -4.434 2.951 -2.508 177 HD21 LEU 28 1HD2 LEU 28 -3.232 6.807 -2.451 178 HD22 LEU 28 2HD2 LEU 28 -3.083 5.755 -1.044 179 HD23 LEU 28 3HD2 LEU 28 -1.720 5.952 -2.145 180 H PHE 29 H PHE 29 -4.520 3.412 -5.658 181 HA PHE 29 HA PHE 29 -3.565 5.512 -7.488 182 HB2 PHE 29 1HB PHE 29 -5.822 3.526 -7.786 183 HB3 PHE 29 2HB PHE 29 -5.570 4.882 -8.880 184 HD1 PHE 29 HD2 PHE 29 -3.458 2.206 -7.351 185 HD2 PHE 29 HD1 PHE 29 -4.589 4.323 -10.866 186 HE1 PHE 29 HE2 PHE 29 -1.893 0.842 -8.672 187 HE2 PHE 29 HE1 PHE 29 -3.027 2.962 -12.193 188 HZ PHE 29 HZ PHE 29 -1.675 1.220 -11.096 189 H GLN 30 H GLN 30 -3.985 7.394 -6.475 190 HA GLN 30 HA GLN 30 -5.858 8.043 -4.627 191 HB2 GLN 30 1HB GLN 30 -5.307 9.963 -6.868 192 HB3 GLN 30 2HB GLN 30 -5.519 10.300 -5.156 193 HG2 GLN 30 1HG GLN 30 -3.349 8.904 -4.879 194 HG3 GLN 30 2HG GLN 30 -3.127 9.248 -6.594 195 HE21 GLN 30 1HE2 GLN 30 -2.698 10.369 -3.460 196 HE22 GLN 30 2HE2 GLN 30 -2.248 11.996 -3.829 197 H GLU 31 H GLU 31 -6.339 8.005 -8.137 198 HA GLU 31 HA GLU 31 -8.923 9.037 -8.222 199 HB2 GLU 31 1HB GLU 31 -9.139 7.859 -10.380 200 HB3 GLU 31 2HB GLU 31 -7.611 8.717 -10.237 201 HG2 GLU 31 1HG GLU 31 -6.601 6.510 -9.517 202 HG3 GLU 31 2HG GLU 31 -8.105 5.764 -10.051 203 H LYS 32 H LYS 32 -7.810 5.727 -7.693 204 HA LYS 32 HA LYS 32 -10.528 4.732 -7.483 205 HB2 LYS 32 1HB LYS 32 -7.804 3.522 -7.501 206 HB3 LYS 32 2HB LYS 32 -9.097 2.622 -6.718 207 HG2 LYS 32 1HG LYS 32 -10.255 2.311 -8.687 208 HG3 LYS 32 2HG LYS 32 -9.497 3.697 -9.474 209 HD2 LYS 32 1HD LYS 32 -7.363 2.466 -9.533 210 HD3 LYS 32 2HD LYS 32 -8.163 1.074 -8.799 211 HE2 LYS 32 1HE LYS 32 -9.153 2.298 -11.355 212 HE3 LYS 32 2HE LYS 32 -7.868 1.090 -11.346 213 HZ1 LYS 32 1HZ LYS 32 -9.553 -0.239 -9.922 214 HZ2 LYS 32 2HZ LYS 32 -9.735 -0.195 -11.603 215 HZ3 LYS 32 3HZ LYS 32 -10.702 0.787 -10.623 216 H LEU 33 H LEU 33 -8.343 6.254 -5.458 217 HA LEU 33 HA LEU 33 -9.193 4.884 -3.035 218 HB2 LEU 33 1HB LEU 33 -6.827 5.660 -3.421 219 HB3 LEU 33 2HB LEU 33 -7.415 7.306 -3.282 220 HG LEU 33 HG LEU 33 -8.192 6.787 -0.973 221 HD11 LEU 33 1HD1 LEU 33 -8.477 4.600 -0.566 222 HD12 LEU 33 2HD1 LEU 33 -7.292 4.116 -1.780 223 HD13 LEU 33 3HD1 LEU 33 -6.757 4.627 -0.180 224 HD21 LEU 33 1HD2 LEU 33 -5.262 6.209 -1.363 225 HD22 LEU 33 2HD2 LEU 33 -5.972 7.817 -1.506 226 HD23 LEU 33 3HD2 LEU 33 -6.040 6.958 0.032 227 H LYS 34 H LYS 34 -9.611 7.970 -4.672 228 HA LYS 34 HA LYS 34 -10.773 9.549 -2.788 229 HB2 LYS 34 1HB LYS 34 -11.530 9.179 -5.684 230 HB3 LYS 34 2HB LYS 34 -12.229 10.438 -4.674 231 HG2 LYS 34 1HG LYS 34 -10.174 11.544 -4.440 232 HG3 LYS 34 2HG LYS 34 -9.264 10.151 -5.030 233 HD2 LYS 34 1HD LYS 34 -10.000 10.487 -7.249 234 HD3 LYS 34 2HD LYS 34 -11.257 11.618 -6.741 235 HE2 LYS 34 1HE LYS 34 -8.424 12.275 -6.116 236 HE3 LYS 34 2HE LYS 34 -8.974 12.451 -7.782 237 HZ1 LYS 34 1HZ LYS 34 -10.702 13.593 -5.746 238 HZ2 LYS 34 2HZ LYS 34 -10.267 14.200 -7.263 239 HZ3 LYS 34 3HZ LYS 34 -9.209 14.361 -5.953 240 H GLN 35 H GLN 35 -12.453 7.079 -4.721 241 HA GLN 35 HA GLN 35 -15.019 7.402 -3.793 242 HB2 GLN 35 1HB GLN 35 -13.664 4.756 -4.340 243 HB3 GLN 35 2HB GLN 35 -15.396 5.059 -4.351 244 HG2 GLN 35 1HG GLN 35 -14.673 6.865 -6.158 245 HG3 GLN 35 2HG GLN 35 -13.335 5.735 -6.362 246 HE21 GLN 35 1HE2 GLN 35 -14.616 3.343 -5.893 247 HE22 GLN 35 2HE2 GLN 35 -15.764 3.053 -7.151 248 H GLY 36 H GLY 36 -12.652 5.087 -2.448 249 HA2 GLY 36 1HA GLY 36 -13.192 5.733 0.243 250 HA3 GLY 36 2HA GLY 36 -14.177 4.353 -0.219 251 H ALA 37 H ALA 37 -12.263 4.192 1.785 252 HA ALA 37 HA ALA 37 -9.834 3.065 0.728 253 HB1 ALA 37 1HB ALA 37 -10.954 3.515 3.452 254 HB2 ALA 37 2HB ALA 37 -9.624 2.374 3.247 255 HB3 ALA 37 3HB ALA 37 -9.427 4.057 2.757 256 H SER 38 H SER 38 -12.717 1.895 0.391 257 HA SER 38 HA SER 38 -12.086 -0.844 1.260 258 HB2 SER 38 1HB SER 38 -14.494 -1.304 1.017 259 HB3 SER 38 2HB SER 38 -14.208 0.037 2.127 260 HG SER 38 HG SER 38 -15.790 0.077 0.095 261 H LYS 39 H LYS 39 -12.739 1.181 -1.485 262 HA LYS 39 HA LYS 39 -13.200 -0.919 -3.360 263 HB2 LYS 39 1HB LYS 39 -12.257 1.901 -3.903 264 HB3 LYS 39 2HB LYS 39 -13.000 0.802 -5.058 265 HG2 LYS 39 1HG LYS 39 -14.393 1.793 -2.584 266 HG3 LYS 39 2HG LYS 39 -14.501 2.589 -4.155 267 HD2 LYS 39 1HD LYS 39 -15.350 0.454 -5.110 268 HD3 LYS 39 2HD LYS 39 -15.364 -0.222 -3.480 269 HE2 LYS 39 1HE LYS 39 -17.527 0.490 -3.616 270 HE3 LYS 39 2HE LYS 39 -16.778 1.952 -2.975 271 HZ1 LYS 39 1HZ LYS 39 -18.333 1.906 -5.139 272 HZ2 LYS 39 2HZ LYS 39 -16.816 1.734 -5.866 273 HZ3 LYS 39 3HZ LYS 39 -17.132 3.068 -4.876 274 H LYS 40 H LYS 40 -11.806 -2.006 -4.650 275 HA LYS 40 HA LYS 40 -9.149 -2.348 -3.892 276 HB2 LYS 40 1HB LYS 40 -10.260 -2.891 -6.647 277 HB3 LYS 40 2HB LYS 40 -8.889 -3.681 -5.878 278 HG2 LYS 40 1HG LYS 40 -11.510 -3.849 -4.505 279 HG3 LYS 40 2HG LYS 40 -11.293 -4.789 -5.983 280 HD2 LYS 40 1HD LYS 40 -9.110 -5.605 -4.909 281 HD3 LYS 40 2HD LYS 40 -9.767 -4.963 -3.402 282 HE2 LYS 40 1HE LYS 40 -10.484 -7.149 -3.316 283 HE3 LYS 40 2HE LYS 40 -11.872 -6.359 -4.063 284 HZ1 LYS 40 1HZ LYS 40 -9.731 -7.842 -5.490 285 HZ2 LYS 40 2HZ LYS 40 -11.024 -7.045 -6.234 286 HZ3 LYS 40 3HZ LYS 40 -11.315 -8.379 -5.234 287 H CYS 41 H CYS 41 -7.767 -0.672 -3.850 288 HA CYS 41 HA CYS 41 -7.450 0.893 -6.328 289 HB2 CYS 41 1HB CYS 41 -6.573 2.720 -4.882 290 HB3 CYS 41 2HB CYS 41 -8.256 2.326 -4.557 291 HG CYS 41 HG CYS 41 -7.951 1.970 -2.040 292 H ILE 42 H ILE 42 -5.912 -0.997 -3.863 293 HA ILE 42 HA ILE 42 -3.228 -0.312 -4.684 294 HB ILE 42 HB ILE 42 -4.221 -2.459 -2.807 295 HG12 ILE 42 1HG1 ILE 42 -2.834 0.149 -2.169 296 HG13 ILE 42 2HG1 ILE 42 -4.583 -0.051 -2.141 297 HG21 ILE 42 1HG2 ILE 42 -1.464 -1.621 -3.624 298 HG22 ILE 42 2HG2 ILE 42 -1.766 -2.346 -2.046 299 HG23 ILE 42 3HG2 ILE 42 -2.147 -3.243 -3.516 300 HD11 ILE 42 1HD1 ILE 42 -3.861 -0.262 0.083 301 HD12 ILE 42 2HD1 ILE 42 -4.206 -1.903 -0.466 302 HD13 ILE 42 3HD1 ILE 42 -2.538 -1.339 -0.366 303 H GLN 43 H GLN 43 -2.452 -1.057 -6.542 304 HA GLN 43 HA GLN 43 -3.320 -3.686 -7.509 305 HB2 GLN 43 1HB GLN 43 -3.347 -1.461 -8.900 306 HB3 GLN 43 2HB GLN 43 -1.637 -1.808 -9.122 307 HG2 GLN 43 1HG GLN 43 -2.288 -4.053 -9.996 308 HG3 GLN 43 2HG GLN 43 -3.968 -3.521 -9.939 309 HE21 GLN 43 1HE2 GLN 43 -4.326 -3.607 -12.114 310 HE22 GLN 43 2HE2 GLN 43 -3.568 -2.544 -13.247 311 H ASN 44 H ASN 44 -2.032 -5.378 -7.261 312 HA ASN 44 HA ASN 44 0.688 -5.022 -6.352 313 HB2 ASN 44 1HB ASN 44 0.632 -7.246 -5.714 314 HB3 ASN 44 2HB ASN 44 -1.075 -6.825 -5.618 315 HD21 ASN 44 1HD2 ASN 44 -2.254 -7.148 -7.775 316 HD22 ASN 44 2HD2 ASN 44 -1.935 -8.642 -8.582 317 H GLU 45 H GLU 45 2.257 -6.817 -7.351 318 HA GLU 45 HA GLU 45 3.034 -5.904 -9.853 319 HB2 GLU 45 1HB GLU 45 3.621 -8.612 -8.643 320 HB3 GLU 45 2HB GLU 45 4.528 -7.841 -9.936 321 HG2 GLU 45 1HG GLU 45 4.217 -6.486 -7.292 322 HG3 GLU 45 2HG GLU 45 5.429 -7.746 -7.520 323 H ALA 46 H ALA 46 0.876 -8.528 -8.986 324 HA ALA 46 HA ALA 46 0.708 -9.627 -11.622 325 HB1 ALA 46 1HB ALA 46 -0.760 -10.048 -9.058 326 HB2 ALA 46 2HB ALA 46 -1.423 -10.693 -10.560 327 HB3 ALA 46 3HB ALA 46 0.179 -11.192 -10.017 328 H GLY 47 H GLY 47 -0.266 -6.724 -10.517 329 HA2 GLY 47 1HA GLY 47 -1.589 -5.125 -11.537 330 HA3 GLY 47 2HA GLY 47 -2.090 -6.339 -12.705 331 H ASP 48 H ASP 48 -2.739 -7.991 -10.124 332 HA ASP 48 HA ASP 48 -5.524 -7.483 -10.177 333 HB2 ASP 48 1HB ASP 48 -3.788 -9.146 -8.352 334 HB3 ASP 48 2HB ASP 48 -5.539 -9.059 -8.176 335 H TRP 49 H TRP 49 -6.574 -5.872 -9.240 336 HA TRP 49 HA TRP 49 -5.374 -4.122 -7.362 337 HB2 TRP 49 1HB TRP 49 -8.289 -4.421 -8.120 338 HB3 TRP 49 2HB TRP 49 -7.593 -3.061 -7.244 339 HD1 TRP 49 HD1 TRP 49 -7.549 -4.681 -10.739 340 HE1 TRP 49 HE1 TRP 49 -6.842 -2.891 -12.449 341 HE3 TRP 49 HE3 TRP 49 -6.411 -0.882 -7.513 342 HZ2 TRP 49 HZ2 TRP 49 -5.923 -0.223 -12.432 343 HZ3 TRP 49 HZ3 TRP 49 -5.624 1.257 -8.441 344 HH2 TRP 49 HH2 TRP 49 -5.385 1.578 -10.849 345 H LEU 50 H LEU 50 -5.945 -3.737 -5.178 346 HA LEU 50 HA LEU 50 -7.464 -5.825 -3.810 347 HB2 LEU 50 1HB LEU 50 -4.696 -5.011 -2.928 348 HB3 LEU 50 2HB LEU 50 -5.730 -6.203 -2.164 349 HG LEU 50 HG LEU 50 -4.891 -6.598 -5.008 350 HD11 LEU 50 1HD1 LEU 50 -3.040 -6.255 -2.931 351 HD12 LEU 50 2HD1 LEU 50 -3.159 -7.994 -3.201 352 HD13 LEU 50 3HD1 LEU 50 -2.750 -6.921 -4.538 353 HD21 LEU 50 1HD2 LEU 50 -5.479 -8.478 -2.724 354 HD22 LEU 50 2HD2 LEU 50 -6.576 -8.073 -4.044 355 HD23 LEU 50 3HD2 LEU 50 -5.083 -8.951 -4.376 356 H THR 51 H THR 51 -8.516 -5.138 -1.996 357 HA THR 51 HA THR 51 -8.927 -2.354 -1.676 358 HB THR 51 HB THR 51 -10.387 -2.917 0.167 359 HG1 THR 51 HG1 THR 51 -10.453 -5.311 0.667 360 HG21 THR 51 1HG2 THR 51 -11.983 -4.038 -1.041 361 HG22 THR 51 2HG2 THR 51 -10.838 -5.234 -1.650 362 HG23 THR 51 3HG2 THR 51 -10.868 -3.611 -2.339 363 H VAL 52 H VAL 52 -8.326 -0.958 -0.033 364 HA VAL 52 HA VAL 52 -5.812 -0.870 0.903 365 HB VAL 52 HB VAL 52 -8.238 0.030 2.462 366 HG11 VAL 52 1HG1 VAL 52 -5.332 0.786 2.721 367 HG12 VAL 52 2HG1 VAL 52 -6.662 1.651 3.494 368 HG13 VAL 52 3HG1 VAL 52 -6.332 -0.028 3.923 369 HG21 VAL 52 1HG2 VAL 52 -7.684 0.843 0.014 370 HG22 VAL 52 2HG2 VAL 52 -8.244 1.971 1.249 371 HG23 VAL 52 3HG2 VAL 52 -6.526 1.865 0.865 372 H LYS 53 H LYS 53 -8.335 -2.914 2.123 373 HA LYS 53 HA LYS 53 -6.856 -3.636 4.513 374 HB2 LYS 53 1HB LYS 53 -9.546 -4.276 3.391 375 HB3 LYS 53 2HB LYS 53 -8.838 -5.401 4.543 376 HG2 LYS 53 1HG LYS 53 -8.518 -3.417 6.080 377 HG3 LYS 53 2HG LYS 53 -9.550 -2.516 4.967 378 HD2 LYS 53 1HD LYS 53 -11.319 -4.209 5.290 379 HD3 LYS 53 2HD LYS 53 -10.289 -5.031 6.464 380 HE2 LYS 53 1HE LYS 53 -10.310 -3.076 7.894 381 HE3 LYS 53 2HE LYS 53 -11.245 -2.179 6.698 382 HZ1 LYS 53 1HZ LYS 53 -12.192 -3.823 8.747 383 HZ2 LYS 53 2HZ LYS 53 -12.593 -4.566 7.281 384 HZ3 LYS 53 3HZ LYS 53 -13.090 -2.979 7.587 385 H GLU 54 H GLU 54 -8.008 -5.293 1.576 386 HA GLU 54 HA GLU 54 -6.956 -7.789 1.968 387 HB2 GLU 54 1HB GLU 54 -7.472 -6.136 -0.454 388 HB3 GLU 54 2HB GLU 54 -6.522 -7.602 -0.656 389 HG2 GLU 54 1HG GLU 54 -8.969 -7.860 -1.062 390 HG3 GLU 54 2HG GLU 54 -8.290 -8.966 0.131 391 H PHE 55 H PHE 55 -5.286 -5.194 0.174 392 HA PHE 55 HA PHE 55 -2.884 -6.277 -0.326 393 HB2 PHE 55 1HB PHE 55 -3.515 -3.918 -0.806 394 HB3 PHE 55 2HB PHE 55 -3.213 -3.525 0.883 395 HD1 PHE 55 HD1 PHE 55 -1.346 -5.532 -1.648 396 HD2 PHE 55 HD2 PHE 55 -1.311 -2.261 1.075 397 HE1 PHE 55 HE1 PHE 55 1.023 -5.125 -2.172 398 HE2 PHE 55 HE2 PHE 55 1.057 -1.848 0.554 399 HZ PHE 55 HZ PHE 55 2.228 -3.280 -1.071 400 H LEU 56 H LEU 56 -3.893 -5.023 2.828 401 HA LEU 56 HA LEU 56 -1.444 -5.441 4.156 402 HB2 LEU 56 1HB LEU 56 -4.147 -5.595 5.468 403 HB3 LEU 56 2HB LEU 56 -2.630 -5.070 6.175 404 HG LEU 56 HG LEU 56 -4.085 -3.570 3.998 405 HD11 LEU 56 1HD1 LEU 56 -5.434 -3.596 6.013 406 HD12 LEU 56 2HD1 LEU 56 -4.042 -3.097 6.974 407 HD13 LEU 56 3HD1 LEU 56 -4.723 -2.000 5.773 408 HD21 LEU 56 1HD2 LEU 56 -1.570 -3.145 5.531 409 HD22 LEU 56 2HD2 LEU 56 -1.929 -2.819 3.836 410 HD23 LEU 56 3HD2 LEU 56 -2.541 -1.740 5.090 411 H ASN 57 H ASN 57 -4.399 -7.428 4.065 412 HA ASN 57 HA ASN 57 -3.637 -9.520 5.661 413 HB2 ASN 57 1HB ASN 57 -5.375 -9.359 3.226 414 HB3 ASN 57 2HB ASN 57 -5.035 -10.931 3.943 415 HD21 ASN 57 1HD2 ASN 57 -5.749 -7.692 5.210 416 HD22 ASN 57 2HD2 ASN 57 -7.027 -8.199 6.256 417 H GLU 58 H GLU 58 -2.807 -8.982 2.268 418 HA GLU 58 HA GLU 58 -1.508 -11.449 1.840 419 HB2 GLU 58 1HB GLU 58 -1.600 -8.818 0.464 420 HB3 GLU 58 2HB GLU 58 -0.249 -9.873 0.075 421 HG2 GLU 58 1HG GLU 58 -3.177 -10.478 -0.234 422 HG3 GLU 58 2HG GLU 58 -1.991 -10.239 -1.515 423 H GLY 59 H GLY 59 -0.427 -8.382 3.160 424 HA2 GLY 59 1HA GLY 59 2.361 -9.049 3.126 425 HA3 GLY 59 2HA GLY 59 1.621 -7.704 3.981 426 H GLY 60 H GLY 60 -0.253 -9.409 5.442 427 HA2 GLY 60 1HA GLY 60 0.212 -11.408 6.938 428 HA3 GLY 60 2HA GLY 60 1.680 -10.542 7.365 429 H ARG 61 H ARG 61 -0.819 -8.379 6.834 430 HA ARG 61 HA ARG 61 -1.599 -8.388 9.671 431 HB2 ARG 61 1HB ARG 61 -0.377 -6.202 8.067 432 HB3 ARG 61 2HB ARG 61 -1.652 -5.757 9.194 433 HG2 ARG 61 1HG ARG 61 -0.201 -7.229 10.847 434 HG3 ARG 61 2HG ARG 61 1.080 -6.776 9.721 435 HD2 ARG 61 1HD ARG 61 0.273 -4.382 10.010 436 HD3 ARG 61 2HD ARG 61 -0.675 -4.978 11.371 437 HE ARG 61 HE ARG 61 2.145 -5.624 11.443 438 HH11 ARG 61 1HH1 ARG 61 -0.370 -3.415 12.399 439 HH12 ARG 61 2HH1 ARG 61 0.531 -2.759 13.726 440 HH21 ARG 61 1HH2 ARG 61 3.341 -4.769 13.188 441 HH22 ARG 61 2HH2 ARG 61 2.641 -3.529 14.173 442 H ALA 62 H ALA 62 -3.669 -9.045 9.497 443 HA ALA 62 HA ALA 62 -5.397 -7.710 7.527 444 HB1 ALA 62 1HB ALA 62 -5.179 -10.269 7.643 445 HB2 ALA 62 2HB ALA 62 -6.179 -10.144 9.091 446 HB3 ALA 62 3HB ALA 62 -6.796 -9.572 7.541 447 H THR 63 H THR 63 -5.070 -8.487 10.948 448 HA THR 63 HA THR 63 -7.544 -7.167 11.649 449 HB THR 63 HB THR 63 -6.725 -9.130 12.929 450 HG1 THR 63 HG1 THR 63 -8.070 -7.359 13.849 451 HG21 THR 63 1HG2 THR 63 -4.808 -7.538 14.485 452 HG22 THR 63 2HG2 THR 63 -4.284 -7.926 12.846 453 HG23 THR 63 3HG2 THR 63 -4.724 -9.219 13.960 454 H SER 64 H SER 64 -4.939 -5.855 10.488 455 HA SER 64 HA SER 64 -4.022 -4.019 12.421 456 HB2 SER 64 1HB SER 64 -3.144 -2.746 10.469 457 HB3 SER 64 2HB SER 64 -2.729 -4.459 10.411 458 HG SER 64 HG SER 64 -4.717 -4.625 9.061 459 H LYS 65 H LYS 65 -4.465 -1.789 12.657 460 HA LYS 65 HA LYS 65 -7.256 -1.117 12.091 461 HB2 LYS 65 1HB LYS 65 -5.215 -0.054 14.030 462 HB3 LYS 65 2HB LYS 65 -6.695 0.833 13.685 463 HG2 LYS 65 1HG LYS 65 -8.023 -1.062 14.440 464 HG3 LYS 65 2HG LYS 65 -6.548 -1.978 14.757 465 HD2 LYS 65 1HD LYS 65 -7.003 -1.164 16.856 466 HD3 LYS 65 2HD LYS 65 -5.949 0.109 16.236 467 HE2 LYS 65 1HE LYS 65 -8.178 1.181 15.424 468 HE3 LYS 65 2HE LYS 65 -8.916 0.119 16.622 469 HZ1 LYS 65 1HZ LYS 65 -7.656 2.579 17.037 470 HZ2 LYS 65 2HZ LYS 65 -6.721 1.395 17.803 471 HZ3 LYS 65 3HZ LYS 65 -8.360 1.558 18.188 472 H ASP 66 H ASP 66 -4.138 0.622 12.107 473 HA ASP 66 HA ASP 66 -5.180 2.446 10.079 474 HB2 ASP 66 1HB ASP 66 -3.950 3.251 12.153 475 HB3 ASP 66 2HB ASP 66 -2.487 2.582 11.436 476 H TRP 67 H TRP 67 -4.948 1.849 8.032 477 HA TRP 67 HA TRP 67 -3.001 -0.063 7.185 478 HB2 TRP 67 1HB TRP 67 -3.869 0.505 4.886 479 HB3 TRP 67 2HB TRP 67 -5.095 -0.033 6.031 480 HD1 TRP 67 HD1 TRP 67 -6.752 1.898 7.024 481 HE1 TRP 67 HE1 TRP 67 -7.532 4.117 5.979 482 HE3 TRP 67 HE3 TRP 67 -3.181 2.386 3.398 483 HZ2 TRP 67 HZ2 TRP 67 -6.738 5.846 3.893 484 HZ3 TRP 67 HZ3 TRP 67 -3.263 4.351 1.919 485 HH2 TRP 67 HH2 TRP 67 -5.006 6.043 2.163 486 H LYS 68 H LYS 68 -3.240 3.429 7.151 487 HA LYS 68 HA LYS 68 -1.177 3.973 5.316 488 HB2 LYS 68 1HB LYS 68 -2.217 5.584 7.652 489 HB3 LYS 68 2HB LYS 68 -1.076 6.202 6.464 490 HG2 LYS 68 1HG LYS 68 -2.685 6.014 4.713 491 HG3 LYS 68 2HG LYS 68 -3.808 5.151 5.767 492 HD2 LYS 68 1HD LYS 68 -3.624 7.302 7.239 493 HD3 LYS 68 2HD LYS 68 -3.071 8.048 5.739 494 HE2 LYS 68 1HE LYS 68 -5.103 7.530 4.631 495 HE3 LYS 68 2HE LYS 68 -5.618 6.457 5.931 496 HZ1 LYS 68 1HZ LYS 68 -5.473 9.411 5.949 497 HZ2 LYS 68 2HZ LYS 68 -5.573 8.515 7.380 498 HZ3 LYS 68 3HZ LYS 68 -6.817 8.424 6.237 499 H GLY 69 H GLY 69 -1.134 2.980 8.638 500 HA2 GLY 69 1HA GLY 69 1.587 3.801 9.124 501 HA3 GLY 69 2HA GLY 69 0.590 2.810 10.178 502 H VAL 70 H VAL 70 -0.043 0.692 8.559 503 HA VAL 70 HA VAL 70 2.327 -0.859 8.695 504 HB VAL 70 HB VAL 70 0.998 -2.656 7.667 505 HG11 VAL 70 1HG1 VAL 70 0.796 -2.456 10.020 506 HG12 VAL 70 2HG1 VAL 70 -0.302 -1.081 9.879 507 HG13 VAL 70 3HG1 VAL 70 -0.837 -2.691 9.397 508 HG21 VAL 70 1HG2 VAL 70 -1.465 -2.131 7.278 509 HG22 VAL 70 2HG2 VAL 70 -0.982 -0.435 7.240 510 HG23 VAL 70 3HG2 VAL 70 -0.325 -1.566 6.057 511 H ILE 71 H ILE 71 0.530 0.595 6.019 512 HA ILE 71 HA ILE 71 2.238 -0.517 4.000 513 HB ILE 71 HB ILE 71 0.300 1.786 3.760 514 HG12 ILE 71 1HG1 ILE 71 -0.127 -1.157 3.200 515 HG13 ILE 71 2HG1 ILE 71 -0.773 -0.286 4.586 516 HG21 ILE 71 1HG2 ILE 71 0.619 1.760 1.521 517 HG22 ILE 71 2HG2 ILE 71 2.197 1.128 1.987 518 HG23 ILE 71 3HG2 ILE 71 0.922 0.024 1.474 519 HD11 ILE 71 1HD1 ILE 71 -1.542 1.130 2.269 520 HD12 ILE 71 2HD1 ILE 71 -1.879 -0.579 1.992 521 HD13 ILE 71 3HD1 ILE 71 -2.557 0.237 3.401 522 H ARG 72 H ARG 72 4.086 0.272 3.217 523 HA ARG 72 HA ARG 72 4.878 2.993 4.025 524 HB2 ARG 72 1HB ARG 72 6.699 0.651 3.449 525 HB3 ARG 72 2HB ARG 72 7.187 2.241 4.020 526 HG2 ARG 72 1HG ARG 72 5.531 1.641 5.992 527 HG3 ARG 72 2HG ARG 72 5.927 -0.004 5.491 528 HD2 ARG 72 1HD ARG 72 8.351 0.648 5.649 529 HD3 ARG 72 2HD ARG 72 7.822 2.156 6.394 530 HE ARG 72 HE ARG 72 6.868 -0.278 7.649 531 HH11 ARG 72 1HH1 ARG 72 9.263 2.248 7.595 532 HH12 ARG 72 2HH1 ARG 72 9.752 1.999 9.238 533 HH21 ARG 72 1HH2 ARG 72 7.503 -0.615 9.813 534 HH22 ARG 72 2HH2 ARG 72 8.750 0.370 10.499 535 H CYS 73 H CYS 73 5.557 4.392 2.491 536 HA CYS 73 HA CYS 73 5.684 3.386 -0.276 537 HB2 CYS 73 1HB CYS 73 3.737 4.783 -0.012 538 HB3 CYS 73 2HB CYS 73 4.688 6.041 0.768 539 HG CYS 73 HG CYS 73 5.834 7.044 -1.417 540 H ASN 74 H ASN 74 7.741 3.302 -0.895 541 HA ASN 74 HA ASN 74 9.885 3.909 -1.349 542 HB2 ASN 74 1HB ASN 74 8.653 6.622 -0.894 543 HB3 ASN 74 2HB ASN 74 10.356 6.434 -1.303 544 HD21 ASN 74 1HD2 ASN 74 7.990 7.600 -2.730 545 HD22 ASN 74 2HD2 ASN 74 8.011 6.849 -4.286 546 H GLY 75 H GLY 75 9.116 3.151 1.347 547 HA2 GLY 75 1HA GLY 75 10.478 2.787 3.217 548 HA3 GLY 75 2HA GLY 75 11.500 4.121 2.704 549 H GLU 76 H GLU 76 8.611 5.454 2.418 550 HA GLU 76 HA GLU 76 8.525 6.325 5.232 551 HB2 GLU 76 1HB GLU 76 8.128 7.883 2.685 552 HB3 GLU 76 2HB GLU 76 7.551 8.476 4.236 553 HG2 GLU 76 1HG GLU 76 9.596 9.508 4.045 554 HG3 GLU 76 2HG GLU 76 9.983 8.091 5.019 555 H THR 77 H THR 77 6.693 5.955 6.283 556 HA THR 77 HA THR 77 4.529 4.580 5.184 557 HB THR 77 HB THR 77 3.297 5.227 7.271 558 HG1 THR 77 HG1 THR 77 5.500 6.940 7.452 559 HG21 THR 77 1HG2 THR 77 4.790 4.017 8.795 560 HG22 THR 77 2HG2 THR 77 6.120 4.223 7.655 561 HG23 THR 77 3HG2 THR 77 4.724 3.242 7.213 562 H LEU 78 H LEU 78 2.578 5.173 4.361 563 HA LEU 78 HA LEU 78 2.222 7.422 2.894 564 HB2 LEU 78 1HB LEU 78 0.038 5.971 4.391 565 HB3 LEU 78 2HB LEU 78 -0.197 7.021 3.006 566 HG LEU 78 HG LEU 78 1.391 4.456 2.932 567 HD11 LEU 78 1HD1 LEU 78 -0.453 3.314 2.193 568 HD12 LEU 78 2HD1 LEU 78 -1.192 4.403 3.366 569 HD13 LEU 78 3HD1 LEU 78 -1.274 4.774 1.644 570 HD21 LEU 78 1HD2 LEU 78 1.871 6.331 1.265 571 HD22 LEU 78 2HD2 LEU 78 1.498 4.737 0.609 572 HD23 LEU 78 3HD2 LEU 78 0.265 5.997 0.615 573 H ARG 79 H ARG 79 1.328 7.014 6.299 574 HA ARG 79 HA ARG 79 0.038 9.431 6.724 575 HB2 ARG 79 1HB ARG 79 -0.005 7.774 8.439 576 HB3 ARG 79 2HB ARG 79 1.750 7.759 8.559 577 HG2 ARG 79 1HG ARG 79 0.904 8.922 10.448 578 HG3 ARG 79 2HG ARG 79 1.637 10.115 9.374 579 HD2 ARG 79 1HD ARG 79 -0.336 11.163 9.901 580 HD3 ARG 79 2HD ARG 79 -0.796 10.309 8.428 581 HE ARG 79 HE ARG 79 -2.254 9.063 9.664 582 HH11 ARG 79 1HH1 ARG 79 0.075 10.513 11.806 583 HH12 ARG 79 2HH1 ARG 79 -0.723 9.978 13.248 584 HH21 ARG 79 1HH2 ARG 79 -3.314 8.353 11.554 585 HH22 ARG 79 2HH2 ARG 79 -2.651 8.749 13.104 586 H HIS 80 H HIS 80 3.503 8.690 7.020 587 HA HIS 80 HA HIS 80 4.383 11.187 7.870 588 HB2 HIS 80 1HB HIS 80 5.757 9.091 7.753 589 HB3 HIS 80 2HB HIS 80 5.882 9.330 6.013 590 HD1 HIS 80 HD1 HIS 80 7.349 10.378 9.216 591 HD2 HIS 80 HD2 HIS 80 7.407 11.655 5.263 592 HE1 HIS 80 HE1 HIS 80 9.293 11.965 9.050 593 HE2 HIS 80 HE2 HIS 80 9.256 12.790 6.671 594 H LEU 81 H LEU 81 4.011 9.950 4.559 595 HA LEU 81 HA LEU 81 4.912 12.298 3.272 596 HB2 LEU 81 1HB LEU 81 3.047 10.156 2.247 597 HB3 LEU 81 2HB LEU 81 3.861 11.353 1.258 598 HG LEU 81 HG LEU 81 5.295 9.278 2.915 599 HD11 LEU 81 1HD1 LEU 81 3.799 8.571 0.866 600 HD12 LEU 81 2HD1 LEU 81 5.178 9.175 -0.053 601 HD13 LEU 81 3HD1 LEU 81 5.400 7.875 1.117 602 HD21 LEU 81 1HD2 LEU 81 7.218 9.913 1.514 603 HD22 LEU 81 2HD2 LEU 81 6.241 11.182 0.777 604 HD23 LEU 81 3HD2 LEU 81 6.628 11.254 2.495 605 H GLU 82 H GLU 82 1.721 11.192 4.290 606 HA GLU 82 HA GLU 82 0.191 13.170 3.020 607 HB2 GLU 82 1HB GLU 82 -0.809 11.164 3.989 608 HB3 GLU 82 2HB GLU 82 -0.347 11.691 5.601 609 HG2 GLU 82 1HG GLU 82 -1.766 13.805 4.967 610 HG3 GLU 82 2HG GLU 82 -2.512 12.689 3.825 611 H GLN 83 H GLN 83 1.658 13.084 6.248 612 HA GLN 83 HA GLN 83 0.645 15.505 7.203 613 HB2 GLN 83 1HB GLN 83 3.247 14.102 7.821 614 HB3 GLN 83 2HB GLN 83 2.640 15.484 8.722 615 HG2 GLN 83 1HG GLN 83 0.530 14.050 9.072 616 HG3 GLN 83 2HG GLN 83 1.557 12.701 8.590 617 HE21 GLN 83 1HE2 GLN 83 0.307 13.080 11.126 618 HE22 GLN 83 2HE2 GLN 83 1.564 13.197 12.306 619 H LYS 84 H LYS 84 3.438 14.811 5.183 620 HA LYS 84 HA LYS 84 4.404 17.524 5.241 621 HB2 LYS 84 1HB LYS 84 5.155 15.118 3.579 622 HB3 LYS 84 2HB LYS 84 5.931 16.687 3.408 623 HG2 LYS 84 1HG LYS 84 7.005 16.531 5.429 624 HG3 LYS 84 2HG LYS 84 5.810 15.418 6.100 625 HD2 LYS 84 1HD LYS 84 7.763 14.136 5.734 626 HD3 LYS 84 2HD LYS 84 6.655 13.716 4.426 627 HE2 LYS 84 1HE LYS 84 7.837 15.104 2.884 628 HE3 LYS 84 2HE LYS 84 8.821 15.794 4.174 629 HZ1 LYS 84 1HZ LYS 84 8.938 12.905 3.890 630 HZ2 LYS 84 2HZ LYS 84 10.173 14.012 4.217 631 HZ3 LYS 84 3HZ LYS 84 9.632 13.795 2.629 632 H GLY 85 H GLY 85 1.669 16.480 4.051 633 HA2 GLY 85 1HA GLY 85 0.219 17.309 2.471 634 HA3 GLY 85 2HA GLY 85 1.393 18.581 2.167 635 H LEU 86 H LEU 86 2.091 15.160 1.834 636 HA LEU 86 HA LEU 86 2.564 15.609 -1.026 637 HB2 LEU 86 1HB LEU 86 3.478 13.287 0.667 638 HB3 LEU 86 2HB LEU 86 4.007 13.681 -0.957 639 HG LEU 86 HG LEU 86 4.502 15.472 1.417 640 HD11 LEU 86 1HD1 LEU 86 6.084 13.181 0.325 641 HD12 LEU 86 2HD1 LEU 86 6.895 14.554 1.077 642 HD13 LEU 86 3HD1 LEU 86 5.733 13.602 2.001 643 HD21 LEU 86 1HD2 LEU 86 5.625 15.381 -1.379 644 HD22 LEU 86 2HD2 LEU 86 4.599 16.635 -0.684 645 HD23 LEU 86 3HD2 LEU 86 6.241 16.407 -0.084 646 H LEU 87 H LEU 87 0.863 13.522 1.238 647 HA LEU 87 HA LEU 87 -0.436 12.156 -1.018 648 HB2 LEU 87 1HB LEU 87 0.705 10.761 0.703 649 HB3 LEU 87 2HB LEU 87 -0.419 11.378 1.899 650 HG LEU 87 HG LEU 87 -2.249 10.432 0.306 651 HD11 LEU 87 1HD1 LEU 87 -1.681 8.949 -1.300 652 HD12 LEU 87 2HD1 LEU 87 -0.191 9.891 -1.319 653 HD13 LEU 87 3HD1 LEU 87 -0.264 8.374 -0.422 654 HD21 LEU 87 1HD2 LEU 87 -0.901 9.456 2.550 655 HD22 LEU 87 2HD2 LEU 87 -2.475 8.946 1.941 656 HD23 LEU 87 3HD2 LEU 87 -1.016 8.092 1.438 657 H PHE 88 H PHE 88 -2.537 12.455 -1.433 658 HA PHE 88 HA PHE 88 -3.977 14.466 0.032 659 HB2 PHE 88 1HB PHE 88 -5.486 14.475 -1.728 660 HB3 PHE 88 2HB PHE 88 -4.017 13.930 -2.531 661 HD1 PHE 88 HD1 PHE 88 -3.766 11.184 -2.124 662 HD2 PHE 88 HD2 PHE 88 -7.358 13.433 -2.522 663 HE1 PHE 88 HE1 PHE 88 -4.939 9.166 -2.904 664 HE2 PHE 88 HE2 PHE 88 -8.537 11.419 -3.300 665 HZ PHE 88 HZ PHE 88 -7.328 9.282 -3.492 666 H SER 89 H SER 89 -4.067 10.972 -0.269 667 HA SER 89 HA SER 89 -5.274 9.357 0.793 668 HB2 SER 89 1HB SER 89 -4.016 10.321 2.709 669 HB3 SER 89 2HB SER 89 -5.372 11.404 3.022 670 HG SER 89 HG SER 89 -6.075 8.758 2.816 671 H GLY 90 H GLY 90 -6.802 10.897 -0.944 672 HA2 GLY 90 1HA GLY 90 -9.097 10.775 -1.435 673 HA3 GLY 90 2HA GLY 90 -9.429 10.561 0.277 674 HA PRO 91 HA PRO 91 -10.077 15.040 -1.244 675 HB2 PRO 91 1HB PRO 91 -12.782 15.019 -1.475 676 HB3 PRO 91 2HB PRO 91 -11.700 14.637 -2.820 677 HG2 PRO 91 1HG PRO 91 -13.190 12.783 -1.002 678 HG3 PRO 91 2HG PRO 91 -12.974 12.693 -2.760 679 HD2 PRO 91 1HD PRO 91 -11.510 11.206 -1.034 680 HD3 PRO 91 2HD PRO 91 -10.861 11.789 -2.580 681 H SER 92 H SER 92 -11.551 12.885 1.056 682 HA SER 92 HA SER 92 -12.366 13.167 3.163 683 HB2 SER 92 1HB SER 92 -10.273 15.292 2.915 684 HB3 SER 92 2HB SER 92 -11.288 15.260 4.357 685 HG SER 92 HG SER 92 -10.065 12.893 3.475 686 H SER 93 H SER 93 -14.049 14.115 1.176 687 HA SER 93 HA SER 93 -15.100 16.654 2.201 688 HB2 SER 93 1HB SER 93 -16.497 16.657 0.152 689 HB3 SER 93 2HB SER 93 -14.775 16.561 -0.215 690 HG SER 93 HG SER 93 -16.783 14.707 -0.621 691 H GLY 94 H GLY 94 -17.608 16.753 2.072 692 HA2 GLY 94 1HA GLY 94 -19.494 14.960 2.241 693 HA3 GLY 94 2HA GLY 94 -18.588 14.498 3.674 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 2.887 3.451 -43.620 2 HA2 GLY 1 1HA GLY 1 3.714 1.294 -43.391 3 HA3 GLY 1 2HA GLY 1 4.427 2.011 -41.953 4 H SER 2 H SER 2 3.107 1.944 -39.961 5 HA SER 2 HA SER 2 1.190 -0.275 -39.911 6 HB2 SER 2 1HB SER 2 3.650 0.000 -38.181 7 HB3 SER 2 2HB SER 2 2.294 -1.041 -37.751 8 HG SER 2 HG SER 2 2.746 -2.350 -39.410 9 H SER 3 H SER 3 -0.110 -0.334 -37.930 10 HA SER 3 HA SER 3 -0.887 2.340 -37.164 11 HB2 SER 3 1HB SER 3 -2.817 1.338 -36.192 12 HB3 SER 3 2HB SER 3 -2.501 0.442 -37.677 13 HG SER 3 HG SER 3 -2.058 -0.336 -35.005 14 H GLY 4 H GLY 4 -1.407 2.777 -34.816 15 HA2 GLY 4 1HA GLY 4 -0.466 1.575 -32.596 16 HA3 GLY 4 2HA GLY 4 0.993 2.286 -33.270 17 H SER 5 H SER 5 0.299 3.089 -30.817 18 HA SER 5 HA SER 5 -1.339 5.473 -30.949 19 HB2 SER 5 1HB SER 5 0.307 4.340 -28.673 20 HB3 SER 5 2HB SER 5 -0.829 5.683 -28.544 21 HG SER 5 HG SER 5 -1.390 3.181 -28.224 22 H SER 6 H SER 6 2.078 4.686 -30.398 23 HA SER 6 HA SER 6 3.971 5.952 -30.470 24 HB2 SER 6 1HB SER 6 2.979 6.114 -32.869 25 HB3 SER 6 2HB SER 6 2.584 7.773 -32.419 26 HG SER 6 HG SER 6 5.078 6.569 -32.801 27 H GLY 7 H GLY 7 2.268 6.611 -28.368 28 HA2 GLY 7 1HA GLY 7 3.287 9.131 -27.602 29 HA3 GLY 7 2HA GLY 7 1.613 9.312 -28.104 30 H ASN 8 H ASN 8 3.215 6.668 -26.355 31 HA ASN 8 HA ASN 8 1.073 6.588 -24.436 32 HB2 ASN 8 1HB ASN 8 2.306 4.561 -25.312 33 HB3 ASN 8 2HB ASN 8 3.681 5.066 -24.335 34 HD21 ASN 8 1HD2 ASN 8 3.089 2.764 -23.604 35 HD22 ASN 8 2HD2 ASN 8 2.058 2.670 -22.221 36 H ASP 9 H ASP 9 0.972 7.659 -22.582 37 HA ASP 9 HA ASP 9 3.442 8.872 -21.532 38 HB2 ASP 9 1HB ASP 9 1.740 10.400 -20.317 39 HB3 ASP 9 2HB ASP 9 2.020 10.657 -22.037 40 H ALA 10 H ALA 10 4.065 8.484 -19.475 41 HA ALA 10 HA ALA 10 2.578 6.441 -18.010 42 HB1 ALA 10 1HB ALA 10 5.393 7.362 -18.062 43 HB2 ALA 10 2HB ALA 10 4.780 6.719 -16.538 44 HB3 ALA 10 3HB ALA 10 4.733 5.727 -17.996 45 H VAL 11 H VAL 11 1.985 9.453 -18.172 46 HA VAL 11 HA VAL 11 2.456 10.831 -15.870 47 HB VAL 11 HB VAL 11 0.264 11.925 -16.157 48 HG11 VAL 11 1HG1 VAL 11 0.861 11.931 -18.932 49 HG12 VAL 11 2HG1 VAL 11 1.301 13.125 -17.709 50 HG13 VAL 11 3HG1 VAL 11 2.377 11.768 -18.047 51 HG21 VAL 11 1HG2 VAL 11 -0.775 9.646 -16.900 52 HG22 VAL 11 2HG2 VAL 11 -1.406 11.159 -17.549 53 HG23 VAL 11 3HG2 VAL 11 -0.301 10.179 -18.512 54 H ASP 12 H ASP 12 0.550 7.972 -16.232 55 HA ASP 12 HA ASP 12 -1.194 8.076 -14.106 56 HB2 ASP 12 1HB ASP 12 -1.011 6.221 -15.780 57 HB3 ASP 12 2HB ASP 12 0.403 5.636 -14.907 58 H PHE 13 H PHE 13 2.215 8.067 -14.023 59 HA PHE 13 HA PHE 13 2.710 6.830 -11.554 60 HB2 PHE 13 1HB PHE 13 4.868 7.683 -11.710 61 HB3 PHE 13 2HB PHE 13 4.357 7.669 -13.395 62 HD1 PHE 13 HD2 PHE 13 3.687 9.780 -14.497 63 HD2 PHE 13 HD1 PHE 13 5.357 9.705 -10.583 64 HE1 PHE 13 HE2 PHE 13 4.185 12.184 -14.667 65 HE2 PHE 13 HE1 PHE 13 5.857 12.109 -10.747 66 HZ PHE 13 HZ PHE 13 5.272 13.351 -12.791 67 H SER 14 H SER 14 1.588 10.035 -12.373 68 HA SER 14 HA SER 14 2.070 11.276 -9.884 69 HB2 SER 14 1HB SER 14 0.451 11.871 -12.296 70 HB3 SER 14 2HB SER 14 -0.052 12.667 -10.805 71 HG SER 14 HG SER 14 2.483 12.994 -10.795 72 HA PRO 15 HA PRO 15 -2.519 10.227 -8.810 73 HB2 PRO 15 1HB PRO 15 -3.832 8.518 -10.461 74 HB3 PRO 15 2HB PRO 15 -3.825 10.269 -10.700 75 HG2 PRO 15 1HG PRO 15 -2.173 8.167 -12.048 76 HG3 PRO 15 2HG PRO 15 -2.985 9.577 -12.755 77 HD2 PRO 15 1HD PRO 15 -0.333 9.545 -12.209 78 HD3 PRO 15 2HD PRO 15 -1.311 11.023 -12.108 79 H THR 16 H THR 16 0.012 8.236 -9.483 80 HA THR 16 HA THR 16 -1.102 6.073 -7.820 81 HB THR 16 HB THR 16 0.288 4.452 -9.015 82 HG1 THR 16 HG1 THR 16 0.903 5.807 -11.219 83 HG21 THR 16 1HG2 THR 16 -0.909 4.484 -11.191 84 HG22 THR 16 2HG2 THR 16 -1.493 6.104 -10.809 85 HG23 THR 16 3HG2 THR 16 -1.976 4.734 -9.810 86 H LEU 17 H LEU 17 0.205 5.249 -6.223 87 HA LEU 17 HA LEU 17 2.889 6.415 -5.941 88 HB2 LEU 17 1HB LEU 17 0.933 6.095 -3.667 89 HB3 LEU 17 2HB LEU 17 2.534 6.805 -3.585 90 HG LEU 17 HG LEU 17 0.288 7.977 -5.221 91 HD11 LEU 17 1HD1 LEU 17 -0.584 8.925 -3.414 92 HD12 LEU 17 2HD1 LEU 17 0.436 7.867 -2.439 93 HD13 LEU 17 3HD1 LEU 17 1.000 9.480 -2.873 94 HD21 LEU 17 1HD2 LEU 17 2.105 9.932 -4.442 95 HD22 LEU 17 2HD2 LEU 17 3.101 8.553 -4.904 96 HD23 LEU 17 3HD2 LEU 17 1.936 9.221 -6.047 97 HA PRO 18 HA PRO 18 4.092 2.232 -5.249 98 HB2 PRO 18 1HB PRO 18 6.505 2.697 -4.096 99 HB3 PRO 18 2HB PRO 18 6.209 2.911 -5.826 100 HG2 PRO 18 1HG PRO 18 6.285 4.964 -3.648 101 HG3 PRO 18 2HG PRO 18 6.977 5.037 -5.279 102 HD2 PRO 18 1HD PRO 18 4.642 6.246 -4.631 103 HD3 PRO 18 2HD PRO 18 4.958 5.582 -6.247 104 H VAL 19 H VAL 19 3.130 1.047 -3.720 105 HA VAL 19 HA VAL 19 3.589 1.768 -0.898 106 HB VAL 19 HB VAL 19 1.423 0.705 -0.370 107 HG11 VAL 19 1HG1 VAL 19 0.194 2.540 -2.061 108 HG12 VAL 19 2HG1 VAL 19 0.789 2.839 -0.426 109 HG13 VAL 19 3HG1 VAL 19 1.821 3.176 -1.817 110 HG21 VAL 19 1HG2 VAL 19 0.334 0.813 -3.053 111 HG22 VAL 19 2HG2 VAL 19 1.639 -0.366 -2.920 112 HG23 VAL 19 3HG2 VAL 19 0.241 -0.473 -1.850 113 H THR 20 H THR 20 3.918 0.081 0.578 114 HA THR 20 HA THR 20 4.126 -2.641 -0.431 115 HB THR 20 HB THR 20 6.437 -2.887 0.529 116 HG1 THR 20 HG1 THR 20 7.622 -0.949 0.818 117 HG21 THR 20 1HG2 THR 20 5.973 -1.077 -1.835 118 HG22 THR 20 2HG2 THR 20 6.255 -2.817 -1.837 119 HG23 THR 20 3HG2 THR 20 7.561 -1.713 -1.410 120 H CYS 21 H CYS 21 3.464 -4.054 1.057 121 HA CYS 21 HA CYS 21 3.530 -3.240 3.886 122 HB2 CYS 21 1HB CYS 21 1.235 -3.102 2.952 123 HB3 CYS 21 2HB CYS 21 1.327 -4.807 2.531 124 HG CYS 21 HG CYS 21 1.852 -3.981 5.768 125 H GLY 22 H GLY 22 5.090 -4.465 4.753 126 HA2 GLY 22 1HA GLY 22 6.265 -6.323 5.413 127 HA3 GLY 22 2HA GLY 22 4.760 -7.202 5.188 128 H LYS 23 H LYS 23 4.620 -8.637 3.570 129 HA LYS 23 HA LYS 23 6.902 -8.796 1.723 130 HB2 LYS 23 1HB LYS 23 6.335 -11.160 1.464 131 HB3 LYS 23 2HB LYS 23 6.584 -10.757 3.158 132 HG2 LYS 23 1HG LYS 23 4.396 -11.082 3.704 133 HG3 LYS 23 2HG LYS 23 3.815 -10.648 2.094 134 HD2 LYS 23 1HD LYS 23 5.462 -13.109 2.378 135 HD3 LYS 23 2HD LYS 23 3.795 -13.152 2.956 136 HE2 LYS 23 1HE LYS 23 2.967 -12.536 0.791 137 HE3 LYS 23 2HE LYS 23 4.601 -12.253 0.194 138 HZ1 LYS 23 1HZ LYS 23 3.840 -14.367 -0.583 139 HZ2 LYS 23 2HZ LYS 23 3.427 -14.864 0.980 140 HZ3 LYS 23 3HZ LYS 23 5.052 -14.637 0.567 141 H ALA 24 H ALA 24 4.220 -7.267 1.584 142 HA ALA 24 HA ALA 24 3.376 -8.301 -1.044 143 HB1 ALA 24 1HB ALA 24 1.256 -8.098 -0.414 144 HB2 ALA 24 2HB ALA 24 1.832 -7.748 1.217 145 HB3 ALA 24 3HB ALA 24 1.510 -6.427 0.093 146 H LYS 25 H LYS 25 3.215 -6.909 -2.769 147 HA LYS 25 HA LYS 25 4.009 -4.114 -2.336 148 HB2 LYS 25 1HB LYS 25 5.113 -5.878 -4.529 149 HB3 LYS 25 2HB LYS 25 5.516 -4.190 -4.242 150 HG2 LYS 25 1HG LYS 25 6.544 -4.776 -2.120 151 HG3 LYS 25 2HG LYS 25 6.104 -6.468 -2.361 152 HD2 LYS 25 1HD LYS 25 7.682 -5.098 -4.481 153 HD3 LYS 25 2HD LYS 25 8.505 -5.563 -2.990 154 HE2 LYS 25 1HE LYS 25 6.859 -7.449 -4.668 155 HE3 LYS 25 2HE LYS 25 8.606 -7.267 -4.819 156 HZ1 LYS 25 1HZ LYS 25 7.315 -7.951 -2.246 157 HZ2 LYS 25 2HZ LYS 25 8.942 -8.116 -2.677 158 HZ3 LYS 25 3HZ LYS 25 7.779 -9.137 -3.360 159 H GLY 26 H GLY 26 2.940 -2.640 -3.557 160 HA2 GLY 26 1HA GLY 26 1.534 -3.423 -5.962 161 HA3 GLY 26 2HA GLY 26 0.484 -3.038 -4.606 162 H THR 27 H THR 27 -0.398 -1.277 -5.750 163 HA THR 27 HA THR 27 1.163 1.153 -5.476 164 HB THR 27 HB THR 27 0.010 0.353 -8.155 165 HG1 THR 27 HG1 THR 27 2.010 -0.605 -7.864 166 HG21 THR 27 1HG2 THR 27 1.448 2.576 -8.645 167 HG22 THR 27 2HG2 THR 27 0.871 2.941 -7.019 168 HG23 THR 27 3HG2 THR 27 -0.282 2.596 -8.307 169 H LEU 28 H LEU 28 -0.095 2.672 -4.627 170 HA LEU 28 HA LEU 28 -2.966 2.276 -4.546 171 HB2 LEU 28 1HB LEU 28 -2.024 2.925 -2.483 172 HB3 LEU 28 2HB LEU 28 -1.080 4.205 -3.221 173 HG LEU 28 HG LEU 28 -3.505 5.142 -3.807 174 HD11 LEU 28 1HD1 LEU 28 -4.148 4.085 -1.121 175 HD12 LEU 28 2HD1 LEU 28 -5.210 4.495 -2.467 176 HD13 LEU 28 3HD1 LEU 28 -4.316 2.976 -2.481 177 HD21 LEU 28 1HD2 LEU 28 -1.485 5.760 -2.019 178 HD22 LEU 28 2HD2 LEU 28 -2.864 6.776 -2.438 179 HD23 LEU 28 3HD2 LEU 28 -2.941 5.724 -1.025 180 H PHE 29 H PHE 29 -4.465 3.427 -5.625 181 HA PHE 29 HA PHE 29 -3.490 5.540 -7.431 182 HB2 PHE 29 1HB PHE 29 -5.782 3.597 -7.753 183 HB3 PHE 29 2HB PHE 29 -5.507 4.966 -8.826 184 HD1 PHE 29 HD2 PHE 29 -3.425 2.240 -7.344 185 HD2 PHE 29 HD1 PHE 29 -4.560 4.407 -10.827 186 HE1 PHE 29 HE2 PHE 29 -1.891 0.869 -8.692 187 HE2 PHE 29 HE1 PHE 29 -3.028 3.038 -12.182 188 HZ PHE 29 HZ PHE 29 -1.690 1.267 -11.114 189 H GLN 30 H GLN 30 -3.878 7.408 -6.379 190 HA GLN 30 HA GLN 30 -5.711 8.059 -4.502 191 HB2 GLN 30 1HB GLN 30 -5.282 10.037 -6.701 192 HB3 GLN 30 2HB GLN 30 -5.296 10.289 -4.960 193 HG2 GLN 30 1HG GLN 30 -3.135 8.934 -4.924 194 HG3 GLN 30 2HG GLN 30 -3.105 9.171 -6.670 195 HE21 GLN 30 1HE2 GLN 30 -2.501 10.546 -3.613 196 HE22 GLN 30 2HE2 GLN 30 -1.981 12.102 -4.155 197 H GLU 31 H GLU 31 -6.283 7.870 -7.975 198 HA GLU 31 HA GLU 31 -8.856 8.981 -8.025 199 HB2 GLU 31 1HB GLU 31 -9.133 7.746 -10.154 200 HB3 GLU 31 2HB GLU 31 -7.614 8.626 -10.069 201 HG2 GLU 31 1HG GLU 31 -6.387 6.631 -9.665 202 HG3 GLU 31 2HG GLU 31 -7.866 5.697 -9.447 203 H LYS 32 H LYS 32 -7.775 5.644 -7.542 204 HA LYS 32 HA LYS 32 -10.496 4.701 -7.210 205 HB2 LYS 32 1HB LYS 32 -7.790 3.419 -7.247 206 HB3 LYS 32 2HB LYS 32 -9.146 2.548 -6.543 207 HG2 LYS 32 1HG LYS 32 -10.210 2.296 -8.553 208 HG3 LYS 32 2HG LYS 32 -9.465 3.736 -9.252 209 HD2 LYS 32 1HD LYS 32 -7.318 2.558 -9.373 210 HD3 LYS 32 2HD LYS 32 -8.071 1.119 -8.682 211 HE2 LYS 32 1HE LYS 32 -9.076 2.402 -11.207 212 HE3 LYS 32 2HE LYS 32 -7.794 1.192 -11.216 213 HZ1 LYS 32 1HZ LYS 32 -9.231 -0.455 -10.782 214 HZ2 LYS 32 2HZ LYS 32 -10.396 0.616 -11.378 215 HZ3 LYS 32 3HZ LYS 32 -10.159 0.469 -9.710 216 H LEU 33 H LEU 33 -8.322 6.285 -5.284 217 HA LEU 33 HA LEU 33 -8.996 4.886 -2.820 218 HB2 LEU 33 1HB LEU 33 -6.691 5.755 -3.280 219 HB3 LEU 33 2HB LEU 33 -7.338 7.381 -3.185 220 HG LEU 33 HG LEU 33 -7.976 6.997 -0.843 221 HD11 LEU 33 1HD1 LEU 33 -6.903 4.262 -1.419 222 HD12 LEU 33 2HD1 LEU 33 -6.882 4.920 0.217 223 HD13 LEU 33 3HD1 LEU 33 -8.413 4.728 -0.636 224 HD21 LEU 33 1HD2 LEU 33 -5.760 7.051 0.091 225 HD22 LEU 33 2HD2 LEU 33 -5.090 6.287 -1.349 226 HD23 LEU 33 3HD2 LEU 33 -5.753 7.918 -1.444 227 H LYS 34 H LYS 34 -9.620 7.949 -4.441 228 HA LYS 34 HA LYS 34 -10.844 9.388 -2.434 229 HB2 LYS 34 1HB LYS 34 -11.464 9.258 -5.384 230 HB3 LYS 34 2HB LYS 34 -12.212 10.423 -4.301 231 HG2 LYS 34 1HG LYS 34 -9.843 11.130 -3.690 232 HG3 LYS 34 2HG LYS 34 -9.331 10.200 -5.100 233 HD2 LYS 34 1HD LYS 34 -10.645 11.567 -6.561 234 HD3 LYS 34 2HD LYS 34 -11.402 12.389 -5.195 235 HE2 LYS 34 1HE LYS 34 -9.141 13.229 -4.549 236 HE3 LYS 34 2HE LYS 34 -8.513 12.539 -6.045 237 HZ1 LYS 34 1HZ LYS 34 -10.339 13.946 -7.146 238 HZ2 LYS 34 2HZ LYS 34 -8.940 14.726 -6.603 239 HZ3 LYS 34 3HZ LYS 34 -10.361 14.808 -5.690 240 H GLN 35 H GLN 35 -12.592 7.430 -4.855 241 HA GLN 35 HA GLN 35 -15.117 7.512 -3.984 242 HB2 GLN 35 1HB GLN 35 -13.613 5.016 -4.780 243 HB3 GLN 35 2HB GLN 35 -15.364 5.111 -4.651 244 HG2 GLN 35 1HG GLN 35 -14.962 5.394 -6.914 245 HG3 GLN 35 2HG GLN 35 -15.192 7.040 -6.324 246 HE21 GLN 35 1HE2 GLN 35 -13.040 4.808 -7.776 247 HE22 GLN 35 2HE2 GLN 35 -11.708 5.886 -7.992 248 H GLY 36 H GLY 36 -12.699 5.282 -2.602 249 HA2 GLY 36 1HA GLY 36 -13.392 5.632 0.055 250 HA3 GLY 36 2HA GLY 36 -14.428 4.345 -0.546 251 H ALA 37 H ALA 37 -12.402 4.154 1.496 252 HA ALA 37 HA ALA 37 -10.127 2.815 0.348 253 HB1 ALA 37 1HB ALA 37 -11.050 3.447 3.108 254 HB2 ALA 37 2HB ALA 37 -9.833 2.190 2.881 255 HB3 ALA 37 3HB ALA 37 -9.524 3.831 2.311 256 H SER 38 H SER 38 -13.103 1.851 0.217 257 HA SER 38 HA SER 38 -12.663 -0.881 1.204 258 HB2 SER 38 1HB SER 38 -15.179 0.615 0.458 259 HB3 SER 38 2HB SER 38 -15.155 -1.119 0.775 260 HG SER 38 HG SER 38 -13.945 0.482 2.684 261 H LYS 39 H LYS 39 -12.675 0.976 -1.622 262 HA LYS 39 HA LYS 39 -13.314 -1.286 -3.357 263 HB2 LYS 39 1HB LYS 39 -12.740 1.617 -3.971 264 HB3 LYS 39 2HB LYS 39 -13.085 0.398 -5.192 265 HG2 LYS 39 1HG LYS 39 -15.149 1.340 -4.929 266 HG3 LYS 39 2HG LYS 39 -15.245 0.016 -3.765 267 HD2 LYS 39 1HD LYS 39 -14.303 1.808 -2.105 268 HD3 LYS 39 2HD LYS 39 -14.941 2.950 -3.290 269 HE2 LYS 39 1HE LYS 39 -17.149 2.008 -3.072 270 HE3 LYS 39 2HE LYS 39 -16.543 0.737 -2.012 271 HZ1 LYS 39 1HZ LYS 39 -15.984 3.445 -1.145 272 HZ2 LYS 39 2HZ LYS 39 -16.506 2.107 -0.252 273 HZ3 LYS 39 3HZ LYS 39 -17.621 3.016 -1.141 274 H LYS 40 H LYS 40 -11.862 -2.244 -4.735 275 HA LYS 40 HA LYS 40 -9.204 -2.460 -3.958 276 HB2 LYS 40 1HB LYS 40 -10.243 -2.961 -6.749 277 HB3 LYS 40 2HB LYS 40 -8.841 -3.702 -5.988 278 HG2 LYS 40 1HG LYS 40 -11.438 -4.070 -4.627 279 HG3 LYS 40 2HG LYS 40 -11.213 -4.907 -6.165 280 HD2 LYS 40 1HD LYS 40 -9.131 -5.895 -5.298 281 HD3 LYS 40 2HD LYS 40 -9.405 -5.087 -3.753 282 HE2 LYS 40 1HE LYS 40 -10.888 -7.365 -4.997 283 HE3 LYS 40 2HE LYS 40 -10.243 -7.210 -3.364 284 HZ1 LYS 40 1HZ LYS 40 -12.762 -6.225 -4.469 285 HZ2 LYS 40 2HZ LYS 40 -12.012 -5.279 -3.285 286 HZ3 LYS 40 3HZ LYS 40 -12.434 -6.881 -2.945 287 H CYS 41 H CYS 41 -7.875 -0.752 -3.853 288 HA CYS 41 HA CYS 41 -7.646 0.958 -6.242 289 HB2 CYS 41 1HB CYS 41 -6.745 2.696 -4.657 290 HB3 CYS 41 2HB CYS 41 -8.444 2.299 -4.430 291 HG CYS 41 HG CYS 41 -8.195 1.932 -1.911 292 H ILE 42 H ILE 42 -6.012 -1.059 -3.960 293 HA ILE 42 HA ILE 42 -3.365 -0.232 -4.811 294 HB ILE 42 HB ILE 42 -4.242 -2.445 -2.952 295 HG12 ILE 42 1HG1 ILE 42 -2.864 0.165 -2.305 296 HG13 ILE 42 2HG1 ILE 42 -4.609 -0.052 -2.226 297 HG21 ILE 42 1HG2 ILE 42 -1.920 -2.697 -2.347 298 HG22 ILE 42 2HG2 ILE 42 -2.103 -2.934 -4.084 299 HG23 ILE 42 3HG2 ILE 42 -1.456 -1.414 -3.465 300 HD11 ILE 42 1HD1 ILE 42 -3.221 -0.274 -0.075 301 HD12 ILE 42 2HD1 ILE 42 -4.474 -1.471 -0.404 302 HD13 ILE 42 3HD1 ILE 42 -2.781 -1.861 -0.706 303 H GLN 43 H GLN 43 -2.529 -0.948 -6.648 304 HA GLN 43 HA GLN 43 -3.434 -3.511 -7.739 305 HB2 GLN 43 1HB GLN 43 -3.399 -1.294 -9.070 306 HB3 GLN 43 2HB GLN 43 -1.662 -1.550 -9.170 307 HG2 GLN 43 1HG GLN 43 -2.097 -3.756 -10.209 308 HG3 GLN 43 2HG GLN 43 -3.818 -3.372 -10.210 309 HE21 GLN 43 1HE2 GLN 43 -4.278 -3.137 -12.300 310 HE22 GLN 43 2HE2 GLN 43 -3.484 -2.047 -13.379 311 H ASN 44 H ASN 44 -2.221 -5.256 -7.482 312 HA ASN 44 HA ASN 44 0.444 -5.073 -6.427 313 HB2 ASN 44 1HB ASN 44 0.359 -7.436 -6.204 314 HB3 ASN 44 2HB ASN 44 -1.268 -6.863 -5.846 315 HD21 ASN 44 1HD2 ASN 44 -1.410 -9.311 -6.351 316 HD22 ASN 44 2HD2 ASN 44 -1.852 -9.694 -7.977 317 H GLU 45 H GLU 45 2.127 -6.650 -7.452 318 HA GLU 45 HA GLU 45 2.962 -5.559 -9.878 319 HB2 GLU 45 1HB GLU 45 3.727 -8.228 -8.679 320 HB3 GLU 45 2HB GLU 45 4.615 -7.378 -9.936 321 HG2 GLU 45 1HG GLU 45 4.098 -5.957 -7.382 322 HG3 GLU 45 2HG GLU 45 5.310 -7.237 -7.400 323 H ALA 46 H ALA 46 0.821 -8.202 -9.209 324 HA ALA 46 HA ALA 46 0.942 -9.288 -11.885 325 HB1 ALA 46 1HB ALA 46 0.286 -11.066 -10.718 326 HB2 ALA 46 2HB ALA 46 -0.193 -10.077 -9.338 327 HB3 ALA 46 3HB ALA 46 -1.317 -10.331 -10.672 328 H GLY 47 H GLY 47 -0.246 -6.495 -10.817 329 HA2 GLY 47 1HA GLY 47 -1.628 -4.991 -11.920 330 HA3 GLY 47 2HA GLY 47 -2.126 -6.286 -12.998 331 H ASP 48 H ASP 48 -2.692 -7.898 -10.440 332 HA ASP 48 HA ASP 48 -5.472 -7.389 -10.365 333 HB2 ASP 48 1HB ASP 48 -3.643 -9.071 -8.658 334 HB3 ASP 48 2HB ASP 48 -5.372 -8.958 -8.339 335 H TRP 49 H TRP 49 -6.603 -5.959 -9.234 336 HA TRP 49 HA TRP 49 -5.277 -4.190 -7.396 337 HB2 TRP 49 1HB TRP 49 -8.192 -4.373 -8.190 338 HB3 TRP 49 2HB TRP 49 -7.472 -3.068 -7.252 339 HD1 TRP 49 HD1 TRP 49 -7.293 -4.598 -10.797 340 HE1 TRP 49 HE1 TRP 49 -6.559 -2.748 -12.429 341 HE3 TRP 49 HE3 TRP 49 -6.400 -0.854 -7.432 342 HZ2 TRP 49 HZ2 TRP 49 -5.712 -0.058 -12.307 343 HZ3 TRP 49 HZ3 TRP 49 -5.629 1.327 -8.271 344 HH2 TRP 49 HH2 TRP 49 -5.293 1.714 -10.658 345 H LEU 50 H LEU 50 -6.021 -3.761 -5.218 346 HA LEU 50 HA LEU 50 -7.534 -5.884 -3.915 347 HB2 LEU 50 1HB LEU 50 -4.759 -5.102 -3.015 348 HB3 LEU 50 2HB LEU 50 -5.825 -6.231 -2.201 349 HG LEU 50 HG LEU 50 -5.075 -6.796 -5.030 350 HD11 LEU 50 1HD1 LEU 50 -3.259 -7.932 -3.032 351 HD12 LEU 50 2HD1 LEU 50 -2.930 -7.313 -4.651 352 HD13 LEU 50 3HD1 LEU 50 -3.074 -6.198 -3.292 353 HD21 LEU 50 1HD2 LEU 50 -5.112 -9.125 -4.104 354 HD22 LEU 50 2HD2 LEU 50 -5.665 -8.439 -2.577 355 HD23 LEU 50 3HD2 LEU 50 -6.653 -8.270 -4.028 356 H THR 51 H THR 51 -8.517 -5.263 -2.002 357 HA THR 51 HA THR 51 -9.006 -2.481 -1.693 358 HB THR 51 HB THR 51 -10.413 -3.093 0.196 359 HG1 THR 51 HG1 THR 51 -9.738 -4.740 1.338 360 HG21 THR 51 1HG2 THR 51 -10.629 -4.239 -2.432 361 HG22 THR 51 2HG2 THR 51 -11.902 -3.638 -1.370 362 HG23 THR 51 3HG2 THR 51 -11.364 -5.312 -1.242 363 H VAL 52 H VAL 52 -8.437 -1.086 -0.029 364 HA VAL 52 HA VAL 52 -5.911 -0.944 0.879 365 HB VAL 52 HB VAL 52 -8.306 -0.129 2.532 366 HG11 VAL 52 1HG1 VAL 52 -6.061 1.630 2.726 367 HG12 VAL 52 2HG1 VAL 52 -6.874 0.721 4.001 368 HG13 VAL 52 3HG1 VAL 52 -5.548 -0.015 3.100 369 HG21 VAL 52 1HG2 VAL 52 -8.046 2.058 1.429 370 HG22 VAL 52 2HG2 VAL 52 -6.799 1.370 0.389 371 HG23 VAL 52 3HG2 VAL 52 -8.458 0.778 0.288 372 H LYS 53 H LYS 53 -8.373 -3.057 2.103 373 HA LYS 53 HA LYS 53 -6.859 -3.760 4.477 374 HB2 LYS 53 1HB LYS 53 -9.387 -3.646 4.394 375 HB3 LYS 53 2HB LYS 53 -9.343 -5.103 3.409 376 HG2 LYS 53 1HG LYS 53 -7.903 -6.014 5.413 377 HG3 LYS 53 2HG LYS 53 -8.750 -4.744 6.299 378 HD2 LYS 53 1HD LYS 53 -10.351 -6.542 4.553 379 HD3 LYS 53 2HD LYS 53 -9.740 -7.191 6.076 380 HE2 LYS 53 1HE LYS 53 -11.316 -4.633 5.840 381 HE3 LYS 53 2HE LYS 53 -12.033 -6.202 6.207 382 HZ1 LYS 53 1HZ LYS 53 -10.451 -6.292 8.137 383 HZ2 LYS 53 2HZ LYS 53 -11.675 -5.131 8.257 384 HZ3 LYS 53 3HZ LYS 53 -10.104 -4.662 7.845 385 H GLU 54 H GLU 54 -7.969 -5.401 1.517 386 HA GLU 54 HA GLU 54 -6.865 -7.882 1.885 387 HB2 GLU 54 1HB GLU 54 -7.456 -6.219 -0.506 388 HB3 GLU 54 2HB GLU 54 -6.436 -7.631 -0.746 389 HG2 GLU 54 1HG GLU 54 -8.916 -7.940 -1.113 390 HG3 GLU 54 2HG GLU 54 -8.119 -9.106 -0.058 391 H PHE 55 H PHE 55 -5.263 -5.194 0.168 392 HA PHE 55 HA PHE 55 -2.839 -6.211 -0.384 393 HB2 PHE 55 1HB PHE 55 -3.505 -3.861 -0.804 394 HB3 PHE 55 2HB PHE 55 -3.253 -3.504 0.902 395 HD1 PHE 55 HD1 PHE 55 -1.301 -5.312 -1.719 396 HD2 PHE 55 HD2 PHE 55 -1.363 -2.265 1.252 397 HE1 PHE 55 HE1 PHE 55 1.066 -4.821 -2.177 398 HE2 PHE 55 HE2 PHE 55 1.003 -1.768 0.798 399 HZ PHE 55 HZ PHE 55 2.221 -3.046 -0.919 400 H LEU 56 H LEU 56 -3.828 -5.023 2.809 401 HA LEU 56 HA LEU 56 -1.375 -5.445 4.112 402 HB2 LEU 56 1HB LEU 56 -4.070 -5.692 5.428 403 HB3 LEU 56 2HB LEU 56 -2.561 -5.168 6.149 404 HG LEU 56 HG LEU 56 -4.115 -3.629 4.067 405 HD11 LEU 56 1HD1 LEU 56 -4.476 -2.051 5.992 406 HD12 LEU 56 2HD1 LEU 56 -5.359 -3.574 6.081 407 HD13 LEU 56 3HD1 LEU 56 -3.907 -3.339 7.053 408 HD21 LEU 56 1HD2 LEU 56 -1.462 -3.275 5.334 409 HD22 LEU 56 2HD2 LEU 56 -2.028 -2.807 3.731 410 HD23 LEU 56 3HD2 LEU 56 -2.461 -1.835 5.136 411 H ASN 57 H ASN 57 -4.283 -7.497 3.973 412 HA ASN 57 HA ASN 57 -3.433 -9.618 5.503 413 HB2 ASN 57 1HB ASN 57 -5.671 -9.163 4.150 414 HB3 ASN 57 2HB ASN 57 -4.904 -10.233 2.980 415 HD21 ASN 57 1HD2 ASN 57 -7.292 -10.727 4.464 416 HD22 ASN 57 2HD2 ASN 57 -7.007 -12.124 5.439 417 H GLU 58 H GLU 58 -2.700 -8.927 2.121 418 HA GLU 58 HA GLU 58 -1.487 -11.320 1.402 419 HB2 GLU 58 1HB GLU 58 -1.282 -8.501 0.487 420 HB3 GLU 58 2HB GLU 58 -0.006 -9.598 -0.020 421 HG2 GLU 58 1HG GLU 58 -2.819 -10.474 -0.368 422 HG3 GLU 58 2HG GLU 58 -2.188 -9.236 -1.453 423 H GLY 59 H GLY 59 -0.242 -8.631 3.278 424 HA2 GLY 59 1HA GLY 59 2.427 -9.823 3.359 425 HA3 GLY 59 2HA GLY 59 1.970 -8.255 4.007 426 H GLY 60 H GLY 60 -0.324 -9.213 5.475 427 HA2 GLY 60 1HA GLY 60 -0.647 -10.953 7.215 428 HA3 GLY 60 2HA GLY 60 1.065 -10.774 7.565 429 H ARG 61 H ARG 61 -1.064 -8.077 6.870 430 HA ARG 61 HA ARG 61 -0.793 -7.230 9.680 431 HB2 ARG 61 1HB ARG 61 -0.655 -5.656 7.123 432 HB3 ARG 61 2HB ARG 61 -1.070 -4.876 8.644 433 HG2 ARG 61 1HG ARG 61 1.423 -6.514 8.318 434 HG3 ARG 61 2HG ARG 61 1.360 -4.795 7.923 435 HD2 ARG 61 1HD ARG 61 1.044 -4.167 10.122 436 HD3 ARG 61 2HD ARG 61 0.383 -5.735 10.583 437 HE ARG 61 HE ARG 61 3.170 -4.977 10.483 438 HH11 ARG 61 1HH1 ARG 61 0.870 -7.589 10.572 439 HH12 ARG 61 2HH1 ARG 61 2.003 -8.739 11.199 440 HH21 ARG 61 1HH2 ARG 61 4.672 -6.482 11.309 441 HH22 ARG 61 2HH2 ARG 61 4.165 -8.108 11.619 442 H ALA 62 H ALA 62 -2.947 -8.709 8.069 443 HA ALA 62 HA ALA 62 -5.207 -7.194 7.661 444 HB1 ALA 62 1HB ALA 62 -4.612 -9.985 8.081 445 HB2 ALA 62 2HB ALA 62 -6.157 -9.547 8.810 446 HB3 ALA 62 3HB ALA 62 -5.872 -9.238 7.097 447 H THR 63 H THR 63 -3.907 -8.416 10.699 448 HA THR 63 HA THR 63 -6.117 -7.764 12.329 449 HB THR 63 HB THR 63 -4.516 -7.879 14.222 450 HG1 THR 63 HG1 THR 63 -2.651 -8.000 12.087 451 HG21 THR 63 1HG2 THR 63 -5.026 -10.045 14.045 452 HG22 THR 63 2HG2 THR 63 -3.537 -10.247 13.121 453 HG23 THR 63 3HG2 THR 63 -5.062 -9.955 12.285 454 H SER 64 H SER 64 -3.348 -5.917 11.215 455 HA SER 64 HA SER 64 -3.407 -3.759 12.941 456 HB2 SER 64 1HB SER 64 -2.117 -2.609 11.370 457 HB3 SER 64 2HB SER 64 -1.817 -4.294 10.946 458 HG SER 64 HG SER 64 -3.593 -4.006 9.396 459 H LYS 65 H LYS 65 -4.409 -1.727 12.896 460 HA LYS 65 HA LYS 65 -7.061 -1.756 11.659 461 HB2 LYS 65 1HB LYS 65 -5.888 0.005 13.818 462 HB3 LYS 65 2HB LYS 65 -7.526 0.151 13.195 463 HG2 LYS 65 1HG LYS 65 -8.251 -1.728 14.261 464 HG3 LYS 65 2HG LYS 65 -6.661 -2.495 14.227 465 HD2 LYS 65 1HD LYS 65 -5.896 -0.858 15.932 466 HD3 LYS 65 2HD LYS 65 -7.544 -0.232 16.019 467 HE2 LYS 65 1HE LYS 65 -8.369 -2.210 16.953 468 HE3 LYS 65 2HE LYS 65 -6.963 -3.144 16.444 469 HZ1 LYS 65 1HZ LYS 65 -7.359 -1.577 18.823 470 HZ2 LYS 65 2HZ LYS 65 -5.886 -1.261 18.055 471 HZ3 LYS 65 3HZ LYS 65 -6.271 -2.839 18.528 472 H ASP 66 H ASP 66 -4.339 0.499 12.112 473 HA ASP 66 HA ASP 66 -5.354 2.241 10.032 474 HB2 ASP 66 1HB ASP 66 -4.330 3.279 11.965 475 HB3 ASP 66 2HB ASP 66 -2.846 2.361 11.719 476 H TRP 67 H TRP 67 -5.037 1.762 7.969 477 HA TRP 67 HA TRP 67 -2.971 -0.043 7.121 478 HB2 TRP 67 1HB TRP 67 -3.863 0.469 4.827 479 HB3 TRP 67 2HB TRP 67 -5.066 -0.141 5.960 480 HD1 TRP 67 HD1 TRP 67 -6.891 1.640 6.880 481 HE1 TRP 67 HE1 TRP 67 -7.774 3.827 5.851 482 HE3 TRP 67 HE3 TRP 67 -3.211 2.455 3.426 483 HZ2 TRP 67 HZ2 TRP 67 -7.012 5.656 3.840 484 HZ3 TRP 67 HZ3 TRP 67 -3.363 4.446 1.989 485 HH2 TRP 67 HH2 TRP 67 -5.225 6.012 2.193 486 H LYS 68 H LYS 68 -3.367 3.395 7.316 487 HA LYS 68 HA LYS 68 -1.389 4.147 5.434 488 HB2 LYS 68 1HB LYS 68 -2.510 5.591 7.839 489 HB3 LYS 68 2HB LYS 68 -1.407 6.327 6.685 490 HG2 LYS 68 1HG LYS 68 -3.000 6.136 4.924 491 HG3 LYS 68 2HG LYS 68 -4.068 5.149 5.924 492 HD2 LYS 68 1HD LYS 68 -4.651 6.970 7.288 493 HD3 LYS 68 2HD LYS 68 -3.295 7.943 6.713 494 HE2 LYS 68 1HE LYS 68 -4.334 8.079 4.502 495 HE3 LYS 68 2HE LYS 68 -5.685 7.101 5.074 496 HZ1 LYS 68 1HZ LYS 68 -4.982 9.612 6.447 497 HZ2 LYS 68 2HZ LYS 68 -6.468 8.805 6.397 498 HZ3 LYS 68 3HZ LYS 68 -5.916 9.648 5.037 499 H GLY 69 H GLY 69 -1.234 2.937 8.660 500 HA2 GLY 69 1HA GLY 69 1.487 3.886 9.085 501 HA3 GLY 69 2HA GLY 69 0.520 2.949 10.215 502 H VAL 70 H VAL 70 -0.187 0.818 8.519 503 HA VAL 70 HA VAL 70 2.144 -0.795 8.750 504 HB VAL 70 HB VAL 70 0.784 -2.560 7.667 505 HG11 VAL 70 1HG1 VAL 70 -0.683 -1.058 9.833 506 HG12 VAL 70 2HG1 VAL 70 -0.857 -2.770 9.442 507 HG13 VAL 70 3HG1 VAL 70 0.667 -2.163 10.091 508 HG21 VAL 70 1HG2 VAL 70 -1.740 -1.786 7.476 509 HG22 VAL 70 2HG2 VAL 70 -0.984 -0.233 7.121 510 HG23 VAL 70 3HG2 VAL 70 -0.622 -1.640 6.120 511 H ILE 71 H ILE 71 0.451 0.691 6.027 512 HA ILE 71 HA ILE 71 2.230 -0.468 4.077 513 HB ILE 71 HB ILE 71 0.166 1.715 3.768 514 HG12 ILE 71 1HG1 ILE 71 0.012 -1.207 3.005 515 HG13 ILE 71 2HG1 ILE 71 -0.703 -0.527 4.463 516 HG21 ILE 71 1HG2 ILE 71 0.462 1.628 1.469 517 HG22 ILE 71 2HG2 ILE 71 2.113 1.529 2.080 518 HG23 ILE 71 3HG2 ILE 71 1.286 0.070 1.533 519 HD11 ILE 71 1HD1 ILE 71 -2.482 -0.611 3.000 520 HD12 ILE 71 2HD1 ILE 71 -1.928 1.055 2.832 521 HD13 ILE 71 3HD1 ILE 71 -1.498 -0.144 1.613 522 H ARG 72 H ARG 72 4.018 0.407 3.212 523 HA ARG 72 HA ARG 72 4.700 3.170 3.979 524 HB2 ARG 72 1HB ARG 72 6.634 0.876 3.608 525 HB3 ARG 72 2HB ARG 72 7.035 2.512 4.112 526 HG2 ARG 72 1HG ARG 72 5.716 2.187 6.159 527 HG3 ARG 72 2HG ARG 72 5.377 0.529 5.656 528 HD2 ARG 72 1HD ARG 72 8.203 1.484 5.838 529 HD3 ARG 72 2HD ARG 72 7.337 1.026 7.304 530 HE ARG 72 HE ARG 72 7.266 -0.921 5.166 531 HH11 ARG 72 1HH1 ARG 72 8.874 0.186 8.048 532 HH12 ARG 72 2HH1 ARG 72 9.613 -1.345 8.381 533 HH21 ARG 72 1HH2 ARG 72 8.233 -2.942 5.593 534 HH22 ARG 72 2HH2 ARG 72 9.249 -3.124 6.984 535 H CYS 73 H CYS 73 5.395 4.514 2.404 536 HA CYS 73 HA CYS 73 5.670 3.377 -0.300 537 HB2 CYS 73 1HB CYS 73 3.710 4.709 -0.302 538 HB3 CYS 73 2HB CYS 73 4.483 5.986 0.630 539 HG CYS 73 HG CYS 73 6.339 5.939 -1.903 540 H ASN 74 H ASN 74 7.754 3.311 -0.826 541 HA ASN 74 HA ASN 74 9.880 3.984 -1.283 542 HB2 ASN 74 1HB ASN 74 8.871 6.764 -0.637 543 HB3 ASN 74 2HB ASN 74 10.354 6.368 -1.503 544 HD21 ASN 74 1HD2 ASN 74 7.812 7.843 -2.199 545 HD22 ASN 74 2HD2 ASN 74 7.321 7.147 -3.702 546 H GLY 75 H GLY 75 9.076 3.179 1.388 547 HA2 GLY 75 1HA GLY 75 10.394 2.817 3.286 548 HA3 GLY 75 2HA GLY 75 11.424 4.155 2.798 549 H GLU 76 H GLU 76 8.648 5.596 2.443 550 HA GLU 76 HA GLU 76 8.498 6.441 5.260 551 HB2 GLU 76 1HB GLU 76 8.049 7.955 2.695 552 HB3 GLU 76 2HB GLU 76 7.494 8.563 4.248 553 HG2 GLU 76 1HG GLU 76 9.518 9.614 4.037 554 HG3 GLU 76 2HG GLU 76 9.958 8.190 4.977 555 H THR 77 H THR 77 6.658 6.131 6.329 556 HA THR 77 HA THR 77 4.517 4.674 5.278 557 HB THR 77 HB THR 77 3.295 5.273 7.340 558 HG1 THR 77 HG1 THR 77 3.838 7.304 7.873 559 HG21 THR 77 1HG2 THR 77 4.484 3.595 8.197 560 HG22 THR 77 2HG2 THR 77 5.677 4.771 8.749 561 HG23 THR 77 3HG2 THR 77 5.863 3.999 7.175 562 H LEU 78 H LEU 78 2.468 5.227 4.592 563 HA LEU 78 HA LEU 78 2.090 7.400 2.987 564 HB2 LEU 78 1HB LEU 78 -0.085 6.072 4.607 565 HB3 LEU 78 2HB LEU 78 -0.299 6.975 3.118 566 HG LEU 78 HG LEU 78 1.212 4.371 3.361 567 HD11 LEU 78 1HD1 LEU 78 -0.842 3.755 1.804 568 HD12 LEU 78 2HD1 LEU 78 -0.926 3.626 3.561 569 HD13 LEU 78 3HD1 LEU 78 -1.613 5.031 2.747 570 HD21 LEU 78 1HD2 LEU 78 2.058 4.856 1.369 571 HD22 LEU 78 2HD2 LEU 78 0.424 4.945 0.714 572 HD23 LEU 78 3HD2 LEU 78 1.199 6.396 1.350 573 H ARG 79 H ARG 79 1.046 7.127 6.381 574 HA ARG 79 HA ARG 79 -0.136 9.594 6.698 575 HB2 ARG 79 1HB ARG 79 -0.267 7.996 8.467 576 HB3 ARG 79 2HB ARG 79 1.483 7.948 8.638 577 HG2 ARG 79 1HG ARG 79 0.131 10.553 9.055 578 HG3 ARG 79 2HG ARG 79 -0.059 9.312 10.295 579 HD2 ARG 79 1HD ARG 79 2.609 10.183 9.203 580 HD3 ARG 79 2HD ARG 79 1.865 10.894 10.635 581 HE ARG 79 HE ARG 79 2.104 8.027 10.736 582 HH11 ARG 79 1HH1 ARG 79 3.669 11.069 11.382 583 HH12 ARG 79 2HH1 ARG 79 4.736 10.415 12.580 584 HH21 ARG 79 1HH2 ARG 79 3.503 7.154 12.311 585 HH22 ARG 79 2HH2 ARG 79 4.642 8.187 13.107 586 H HIS 80 H HIS 80 3.292 8.768 6.800 587 HA HIS 80 HA HIS 80 4.252 11.253 7.704 588 HB2 HIS 80 1HB HIS 80 5.554 9.097 7.588 589 HB3 HIS 80 2HB HIS 80 5.698 9.352 5.852 590 HD1 HIS 80 HD1 HIS 80 7.253 10.212 9.038 591 HD2 HIS 80 HD2 HIS 80 7.209 11.752 5.179 592 HE1 HIS 80 HE1 HIS 80 9.220 11.774 8.915 593 HE2 HIS 80 HE2 HIS 80 9.122 12.759 6.599 594 H LEU 81 H LEU 81 3.929 9.963 4.401 595 HA LEU 81 HA LEU 81 4.882 12.198 3.034 596 HB2 LEU 81 1HB LEU 81 2.772 10.217 2.171 597 HB3 LEU 81 2HB LEU 81 3.602 11.333 1.102 598 HG LEU 81 HG LEU 81 4.978 9.167 2.691 599 HD11 LEU 81 1HD1 LEU 81 3.400 8.319 0.948 600 HD12 LEU 81 2HD1 LEU 81 4.356 9.187 -0.253 601 HD13 LEU 81 3HD1 LEU 81 5.089 7.887 0.686 602 HD21 LEU 81 1HD2 LEU 81 5.890 11.186 0.673 603 HD22 LEU 81 2HD2 LEU 81 6.578 10.802 2.251 604 HD23 LEU 81 3HD2 LEU 81 6.761 9.671 0.910 605 H GLU 82 H GLU 82 1.610 11.416 4.134 606 HA GLU 82 HA GLU 82 0.255 13.538 2.923 607 HB2 GLU 82 1HB GLU 82 -0.897 11.648 3.968 608 HB3 GLU 82 2HB GLU 82 -0.336 12.167 5.552 609 HG2 GLU 82 1HG GLU 82 -2.028 13.927 3.812 610 HG3 GLU 82 2HG GLU 82 -2.727 12.734 4.905 611 H GLN 83 H GLN 83 1.844 13.340 6.086 612 HA GLN 83 HA GLN 83 1.118 15.853 7.057 613 HB2 GLN 83 1HB GLN 83 3.548 14.142 7.565 614 HB3 GLN 83 2HB GLN 83 3.257 15.651 8.420 615 HG2 GLN 83 1HG GLN 83 1.141 14.755 9.266 616 HG3 GLN 83 2HG GLN 83 1.460 13.237 8.429 617 HE21 GLN 83 1HE2 GLN 83 1.062 13.653 11.246 618 HE22 GLN 83 2HE2 GLN 83 2.500 13.120 12.040 619 H LYS 84 H LYS 84 3.776 14.881 4.956 620 HA LYS 84 HA LYS 84 4.896 17.545 4.888 621 HB2 LYS 84 1HB LYS 84 5.553 15.013 3.380 622 HB3 LYS 84 2HB LYS 84 6.408 16.531 3.141 623 HG2 LYS 84 1HG LYS 84 7.421 16.443 5.206 624 HG3 LYS 84 2HG LYS 84 6.182 15.385 5.886 625 HD2 LYS 84 1HD LYS 84 7.901 13.890 5.622 626 HD3 LYS 84 2HD LYS 84 7.085 13.710 4.067 627 HE2 LYS 84 1HE LYS 84 9.435 13.892 3.659 628 HE3 LYS 84 2HE LYS 84 8.669 15.386 3.122 629 HZ1 LYS 84 1HZ LYS 84 9.811 16.575 4.599 630 HZ2 LYS 84 2HZ LYS 84 10.808 15.220 4.778 631 HZ3 LYS 84 3HZ LYS 84 9.532 15.479 5.858 632 H GLY 85 H GLY 85 2.113 16.647 3.787 633 HA2 GLY 85 1HA GLY 85 0.722 17.367 2.110 634 HA3 GLY 85 2HA GLY 85 1.925 18.605 1.779 635 H LEU 86 H LEU 86 2.624 15.181 1.604 636 HA LEU 86 HA LEU 86 3.135 15.499 -1.265 637 HB2 LEU 86 1HB LEU 86 3.985 13.209 0.499 638 HB3 LEU 86 2HB LEU 86 4.588 13.607 -1.098 639 HG LEU 86 HG LEU 86 4.963 15.438 1.262 640 HD11 LEU 86 1HD1 LEU 86 6.946 14.426 1.839 641 HD12 LEU 86 2HD1 LEU 86 5.945 13.028 1.443 642 HD13 LEU 86 3HD1 LEU 86 7.120 13.631 0.274 643 HD21 LEU 86 1HD2 LEU 86 6.371 16.646 -0.073 644 HD22 LEU 86 2HD2 LEU 86 6.783 15.261 -1.083 645 HD23 LEU 86 3HD2 LEU 86 5.228 16.067 -1.285 646 H LEU 87 H LEU 87 1.388 13.507 1.054 647 HA LEU 87 HA LEU 87 0.050 12.143 -1.187 648 HB2 LEU 87 1HB LEU 87 1.341 10.926 0.789 649 HB3 LEU 87 2HB LEU 87 -0.189 11.158 1.614 650 HG LEU 87 HG LEU 87 -0.243 9.933 -1.100 651 HD11 LEU 87 1HD1 LEU 87 1.042 8.209 -0.566 652 HD12 LEU 87 2HD1 LEU 87 1.323 8.875 1.043 653 HD13 LEU 87 3HD1 LEU 87 -0.064 7.825 0.753 654 HD21 LEU 87 1HD2 LEU 87 -1.791 8.736 1.043 655 HD22 LEU 87 2HD2 LEU 87 -2.102 10.463 0.874 656 HD23 LEU 87 3HD2 LEU 87 -2.321 9.390 -0.507 657 H PHE 88 H PHE 88 -1.880 12.941 -1.651 658 HA PHE 88 HA PHE 88 -3.311 14.766 -0.119 659 HB2 PHE 88 1HB PHE 88 -4.987 14.625 -1.732 660 HB3 PHE 88 2HB PHE 88 -3.564 14.087 -2.618 661 HD1 PHE 88 HD1 PHE 88 -3.182 11.374 -2.070 662 HD2 PHE 88 HD2 PHE 88 -6.868 13.483 -2.344 663 HE1 PHE 88 HE1 PHE 88 -4.334 9.278 -2.650 664 HE2 PHE 88 HE2 PHE 88 -8.026 11.391 -2.923 665 HZ PHE 88 HZ PHE 88 -6.759 9.285 -3.077 666 H SER 89 H SER 89 -3.449 11.257 -0.182 667 HA SER 89 HA SER 89 -4.571 9.730 1.085 668 HB2 SER 89 1HB SER 89 -4.628 10.166 3.470 669 HB3 SER 89 2HB SER 89 -3.125 10.809 2.809 670 HG SER 89 HG SER 89 -5.293 12.544 2.890 671 H GLY 90 H GLY 90 -6.247 11.130 -0.601 672 HA2 GLY 90 1HA GLY 90 -8.501 11.389 -0.970 673 HA3 GLY 90 2HA GLY 90 -8.772 10.672 0.612 674 HA PRO 91 HA PRO 91 -9.383 15.444 0.463 675 HB2 PRO 91 1HB PRO 91 -12.013 15.606 -0.189 676 HB3 PRO 91 2HB PRO 91 -10.720 15.658 -1.393 677 HG2 PRO 91 1HG PRO 91 -12.453 13.359 -0.572 678 HG3 PRO 91 2HG PRO 91 -11.952 13.858 -2.198 679 HD2 PRO 91 1HD PRO 91 -10.762 11.821 -0.868 680 HD3 PRO 91 2HD PRO 91 -9.881 12.865 -2.002 681 H SER 92 H SER 92 -10.023 16.419 2.312 682 HA SER 92 HA SER 92 -11.285 14.764 4.337 683 HB2 SER 92 1HB SER 92 -9.828 17.388 4.359 684 HB3 SER 92 2HB SER 92 -10.826 16.924 5.736 685 HG SER 92 HG SER 92 -9.474 14.816 5.344 686 H SER 93 H SER 93 -13.411 14.739 4.569 687 HA SER 93 HA SER 93 -15.175 16.518 3.300 688 HB2 SER 93 1HB SER 93 -16.934 15.378 4.464 689 HB3 SER 93 2HB SER 93 -15.705 14.174 4.076 690 HG SER 93 HG SER 93 -15.844 15.518 6.567 691 H GLY 94 H GLY 94 -16.892 17.783 4.511 692 HA2 GLY 94 1HA GLY 94 -16.092 18.925 7.044 693 HA3 GLY 94 2HA GLY 94 -15.932 20.022 5.680 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -8.919 15.177 -26.709 2 HA2 GLY 1 1HA GLY 1 -10.291 13.344 -27.421 3 HA3 GLY 1 2HA GLY 1 -9.294 13.764 -28.807 4 H SER 2 H SER 2 -9.845 11.469 -26.250 5 HA SER 2 HA SER 2 -7.583 9.821 -26.837 6 HB2 SER 2 1HB SER 2 -8.554 8.241 -25.285 7 HB3 SER 2 2HB SER 2 -8.746 9.864 -24.621 8 HG SER 2 HG SER 2 -10.775 8.644 -26.161 9 H SER 3 H SER 3 -7.387 8.170 -28.232 10 HA SER 3 HA SER 3 -9.780 7.391 -29.767 11 HB2 SER 3 1HB SER 3 -6.962 7.924 -30.669 12 HB3 SER 3 2HB SER 3 -8.014 6.859 -31.600 13 HG SER 3 HG SER 3 -8.031 9.150 -32.197 14 H GLY 4 H GLY 4 -10.374 5.420 -29.140 15 HA2 GLY 4 1HA GLY 4 -9.613 3.042 -29.603 16 HA3 GLY 4 2HA GLY 4 -8.260 3.445 -28.557 17 H SER 5 H SER 5 -8.615 3.722 -26.321 18 HA SER 5 HA SER 5 -11.254 2.908 -25.328 19 HB2 SER 5 1HB SER 5 -10.387 1.225 -23.915 20 HB3 SER 5 2HB SER 5 -9.583 0.961 -25.462 21 HG SER 5 HG SER 5 -7.859 2.341 -24.518 22 H SER 6 H SER 6 -11.873 3.841 -23.426 23 HA SER 6 HA SER 6 -10.527 6.216 -22.632 24 HB2 SER 6 1HB SER 6 -12.966 4.746 -21.706 25 HB3 SER 6 2HB SER 6 -12.296 6.023 -20.689 26 HG SER 6 HG SER 6 -13.577 6.187 -23.140 27 H GLY 7 H GLY 7 -8.954 6.479 -21.192 28 HA2 GLY 7 1HA GLY 7 -8.151 6.077 -18.921 29 HA3 GLY 7 2HA GLY 7 -8.573 4.386 -19.144 30 H ASN 8 H ASN 8 -6.807 6.611 -21.277 31 HA ASN 8 HA ASN 8 -4.892 4.723 -22.045 32 HB2 ASN 8 1HB ASN 8 -5.338 6.742 -23.350 33 HB3 ASN 8 2HB ASN 8 -4.696 7.743 -22.050 34 HD21 ASN 8 1HD2 ASN 8 -3.517 8.303 -24.221 35 HD22 ASN 8 2HD2 ASN 8 -1.979 7.538 -24.410 36 H ASP 9 H ASP 9 -3.080 3.992 -21.132 37 HA ASP 9 HA ASP 9 -2.433 4.627 -18.452 38 HB2 ASP 9 1HB ASP 9 -0.592 3.240 -20.398 39 HB3 ASP 9 2HB ASP 9 -0.676 3.039 -18.650 40 H ALA 10 H ALA 10 -0.746 5.789 -17.574 41 HA ALA 10 HA ALA 10 0.812 7.452 -19.441 42 HB1 ALA 10 1HB ALA 10 0.079 9.352 -18.541 43 HB2 ALA 10 2HB ALA 10 -1.177 8.390 -17.761 44 HB3 ALA 10 3HB ALA 10 0.318 8.753 -16.899 45 H VAL 11 H VAL 11 2.893 8.084 -18.734 46 HA VAL 11 HA VAL 11 4.133 6.152 -16.968 47 HB VAL 11 HB VAL 11 6.260 7.275 -17.633 48 HG11 VAL 11 1HG1 VAL 11 5.988 5.496 -19.003 49 HG12 VAL 11 2HG1 VAL 11 4.364 5.982 -19.493 50 HG13 VAL 11 3HG1 VAL 11 5.774 6.753 -20.220 51 HG21 VAL 11 1HG2 VAL 11 6.358 9.144 -18.908 52 HG22 VAL 11 2HG2 VAL 11 4.885 8.752 -19.795 53 HG23 VAL 11 3HG2 VAL 11 4.781 9.443 -18.176 54 H ASP 12 H ASP 12 3.199 9.501 -16.923 55 HA ASP 12 HA ASP 12 4.775 10.630 -15.005 56 HB2 ASP 12 1HB ASP 12 2.699 11.916 -14.303 57 HB3 ASP 12 2HB ASP 12 3.100 11.975 -16.017 58 H PHE 13 H PHE 13 2.064 8.422 -14.493 59 HA PHE 13 HA PHE 13 1.321 7.305 -12.652 60 HB2 PHE 13 1HB PHE 13 4.286 7.293 -12.440 61 HB3 PHE 13 2HB PHE 13 3.380 6.777 -11.021 62 HD1 PHE 13 HD1 PHE 13 2.345 6.260 -14.525 63 HD2 PHE 13 HD2 PHE 13 3.966 4.494 -11.009 64 HE1 PHE 13 HE1 PHE 13 2.063 4.028 -15.521 65 HE2 PHE 13 HE2 PHE 13 3.689 2.259 -11.999 66 HZ PHE 13 HZ PHE 13 2.737 2.024 -14.259 67 H SER 14 H SER 14 1.232 10.194 -12.546 68 HA SER 14 HA SER 14 2.049 11.176 -10.031 69 HB2 SER 14 1HB SER 14 1.055 12.336 -12.265 70 HB3 SER 14 2HB SER 14 -0.381 12.363 -11.241 71 HG SER 14 HG SER 14 2.087 13.217 -10.206 72 HA PRO 15 HA PRO 15 -2.512 10.267 -8.661 73 HB2 PRO 15 1HB PRO 15 -3.918 8.536 -10.209 74 HB3 PRO 15 2HB PRO 15 -3.927 10.284 -10.471 75 HG2 PRO 15 1HG PRO 15 -2.355 8.164 -11.885 76 HG3 PRO 15 2HG PRO 15 -3.208 9.564 -12.562 77 HD2 PRO 15 1HD PRO 15 -0.528 9.539 -12.173 78 HD3 PRO 15 2HD PRO 15 -1.500 11.019 -12.034 79 H THR 16 H THR 16 -0.071 8.199 -9.569 80 HA THR 16 HA THR 16 -1.079 6.067 -7.800 81 HB THR 16 HB THR 16 0.340 4.476 -9.046 82 HG1 THR 16 HG1 THR 16 1.344 5.141 -10.944 83 HG21 THR 16 1HG2 THR 16 -1.868 4.388 -9.771 84 HG22 THR 16 2HG2 THR 16 -0.984 4.670 -11.271 85 HG23 THR 16 3HG2 THR 16 -1.808 6.006 -10.468 86 H LEU 17 H LEU 17 0.305 5.230 -6.267 87 HA LEU 17 HA LEU 17 2.989 6.405 -6.083 88 HB2 LEU 17 1HB LEU 17 1.110 6.140 -3.738 89 HB3 LEU 17 2HB LEU 17 2.719 6.835 -3.721 90 HG LEU 17 HG LEU 17 0.412 8.000 -5.278 91 HD11 LEU 17 1HD1 LEU 17 -0.330 9.026 -3.455 92 HD12 LEU 17 2HD1 LEU 17 0.708 7.957 -2.512 93 HD13 LEU 17 3HD1 LEU 17 1.296 9.543 -3.009 94 HD21 LEU 17 1HD2 LEU 17 1.957 10.037 -5.108 95 HD22 LEU 17 2HD2 LEU 17 3.219 8.879 -4.690 96 HD23 LEU 17 3HD2 LEU 17 2.397 8.763 -6.245 97 HA PRO 18 HA PRO 18 4.203 2.235 -5.345 98 HB2 PRO 18 1HB PRO 18 6.636 2.708 -4.237 99 HB3 PRO 18 2HB PRO 18 6.312 2.905 -5.964 100 HG2 PRO 18 1HG PRO 18 6.427 4.980 -3.810 101 HG3 PRO 18 2HG PRO 18 7.093 5.035 -5.453 102 HD2 PRO 18 1HD PRO 18 4.771 6.255 -4.781 103 HD3 PRO 18 2HD PRO 18 5.059 5.573 -6.394 104 H VAL 19 H VAL 19 3.229 1.094 -3.789 105 HA VAL 19 HA VAL 19 3.742 1.839 -0.982 106 HB VAL 19 HB VAL 19 1.587 0.821 -0.398 107 HG11 VAL 19 1HG1 VAL 19 1.587 3.029 -2.435 108 HG12 VAL 19 2HG1 VAL 19 0.120 2.526 -1.593 109 HG13 VAL 19 3HG1 VAL 19 1.493 3.153 -0.679 110 HG21 VAL 19 1HG2 VAL 19 1.555 -0.746 -2.357 111 HG22 VAL 19 2HG2 VAL 19 0.025 0.070 -2.034 112 HG23 VAL 19 3HG2 VAL 19 1.055 0.619 -3.356 113 H THR 20 H THR 20 3.861 0.088 0.546 114 HA THR 20 HA THR 20 4.141 -2.613 -0.453 115 HB THR 20 HB THR 20 6.447 -2.866 0.516 116 HG1 THR 20 HG1 THR 20 6.203 -0.038 0.616 117 HG21 THR 20 1HG2 THR 20 6.370 -0.881 -1.751 118 HG22 THR 20 2HG2 THR 20 5.925 -2.577 -1.943 119 HG23 THR 20 3HG2 THR 20 7.563 -2.144 -1.453 120 H CYS 21 H CYS 21 3.583 -4.058 1.066 121 HA CYS 21 HA CYS 21 3.627 -3.214 3.883 122 HB2 CYS 21 1HB CYS 21 1.327 -3.031 2.956 123 HB3 CYS 21 2HB CYS 21 1.379 -4.744 2.559 124 HG CYS 21 HG CYS 21 2.061 -4.108 5.767 125 H GLY 22 H GLY 22 5.125 -4.482 4.784 126 HA2 GLY 22 1HA GLY 22 6.207 -6.375 5.499 127 HA3 GLY 22 2HA GLY 22 4.730 -7.245 5.111 128 H LYS 23 H LYS 23 4.734 -8.609 3.429 129 HA LYS 23 HA LYS 23 7.140 -8.641 1.733 130 HB2 LYS 23 1HB LYS 23 6.688 -11.023 1.384 131 HB3 LYS 23 2HB LYS 23 6.850 -10.653 3.095 132 HG2 LYS 23 1HG LYS 23 5.018 -12.002 3.150 133 HG3 LYS 23 2HG LYS 23 4.232 -10.434 2.956 134 HD2 LYS 23 1HD LYS 23 3.631 -10.849 0.789 135 HD3 LYS 23 2HD LYS 23 5.004 -11.921 0.500 136 HE2 LYS 23 1HE LYS 23 3.962 -13.713 1.639 137 HE3 LYS 23 2HE LYS 23 2.725 -12.657 2.320 138 HZ1 LYS 23 1HZ LYS 23 1.563 -13.566 0.613 139 HZ2 LYS 23 2HZ LYS 23 2.924 -13.797 -0.364 140 HZ3 LYS 23 3HZ LYS 23 2.238 -12.258 -0.221 141 H ALA 24 H ALA 24 4.337 -7.290 1.517 142 HA ALA 24 HA ALA 24 3.704 -8.276 -1.186 143 HB1 ALA 24 1HB ALA 24 1.735 -6.502 0.033 144 HB2 ALA 24 2HB ALA 24 1.523 -8.073 -0.743 145 HB3 ALA 24 3HB ALA 24 2.010 -7.984 0.950 146 H LYS 25 H LYS 25 3.569 -6.853 -2.888 147 HA LYS 25 HA LYS 25 4.191 -4.033 -2.355 148 HB2 LYS 25 1HB LYS 25 5.532 -5.741 -4.460 149 HB3 LYS 25 2HB LYS 25 5.773 -4.013 -4.238 150 HG2 LYS 25 1HG LYS 25 6.632 -4.499 -1.950 151 HG3 LYS 25 2HG LYS 25 6.542 -6.218 -2.341 152 HD2 LYS 25 1HD LYS 25 8.198 -6.038 -3.998 153 HD3 LYS 25 2HD LYS 25 8.059 -4.279 -4.064 154 HE2 LYS 25 1HE LYS 25 8.985 -4.130 -1.800 155 HE3 LYS 25 2HE LYS 25 9.131 -5.886 -1.746 156 HZ1 LYS 25 1HZ LYS 25 10.770 -5.855 -3.413 157 HZ2 LYS 25 2HZ LYS 25 11.203 -4.621 -2.340 158 HZ3 LYS 25 3HZ LYS 25 10.467 -4.240 -3.815 159 H GLY 26 H GLY 26 3.068 -2.603 -3.563 160 HA2 GLY 26 1HA GLY 26 1.849 -3.411 -6.070 161 HA3 GLY 26 2HA GLY 26 0.719 -3.083 -4.766 162 H THR 27 H THR 27 -0.180 -1.348 -5.935 163 HA THR 27 HA THR 27 1.339 1.126 -5.646 164 HB THR 27 HB THR 27 0.050 0.327 -8.263 165 HG1 THR 27 HG1 THR 27 2.497 -0.098 -7.320 166 HG21 THR 27 1HG2 THR 27 0.909 2.473 -9.095 167 HG22 THR 27 2HG2 THR 27 1.471 2.873 -7.471 168 HG23 THR 27 3HG2 THR 27 -0.255 2.703 -7.791 169 H LEU 28 H LEU 28 0.105 2.630 -4.735 170 HA LEU 28 HA LEU 28 -2.756 2.186 -4.515 171 HB2 LEU 28 1HB LEU 28 -1.643 2.800 -2.496 172 HB3 LEU 28 2HB LEU 28 -0.877 4.179 -3.262 173 HG LEU 28 HG LEU 28 -3.413 4.913 -3.619 174 HD11 LEU 28 1HD1 LEU 28 -3.846 3.873 -0.926 175 HD12 LEU 28 2HD1 LEU 28 -4.946 3.964 -2.301 176 HD13 LEU 28 3HD1 LEU 28 -3.804 2.627 -2.173 177 HD21 LEU 28 1HD2 LEU 28 -2.544 6.564 -2.417 178 HD22 LEU 28 2HD2 LEU 28 -2.909 5.644 -0.958 179 HD23 LEU 28 3HD2 LEU 28 -1.332 5.482 -1.730 180 H PHE 29 H PHE 29 -4.319 3.361 -5.480 181 HA PHE 29 HA PHE 29 -3.446 5.509 -7.297 182 HB2 PHE 29 1HB PHE 29 -5.759 3.578 -7.535 183 HB3 PHE 29 2HB PHE 29 -5.515 4.953 -8.606 184 HD1 PHE 29 HD2 PHE 29 -3.433 2.166 -7.245 185 HD2 PHE 29 HD1 PHE 29 -4.630 4.429 -10.646 186 HE1 PHE 29 HE2 PHE 29 -1.973 0.790 -8.670 187 HE2 PHE 29 HE1 PHE 29 -3.173 3.056 -12.076 188 HZ PHE 29 HZ PHE 29 -1.841 1.235 -11.089 189 H GLN 30 H GLN 30 -3.783 7.355 -6.191 190 HA GLN 30 HA GLN 30 -5.587 7.920 -4.223 191 HB2 GLN 30 1HB GLN 30 -5.085 10.020 -6.288 192 HB3 GLN 30 2HB GLN 30 -5.096 10.159 -4.535 193 HG2 GLN 30 1HG GLN 30 -2.982 8.697 -4.620 194 HG3 GLN 30 2HG GLN 30 -2.932 9.137 -6.327 195 HE21 GLN 30 1HE2 GLN 30 -2.361 10.144 -3.111 196 HE22 GLN 30 2HE2 GLN 30 -1.769 11.727 -3.469 197 H GLU 31 H GLU 31 -6.185 7.683 -7.648 198 HA GLU 31 HA GLU 31 -8.724 8.962 -7.651 199 HB2 GLU 31 1HB GLU 31 -7.749 8.846 -9.760 200 HB3 GLU 31 2HB GLU 31 -7.258 7.171 -9.552 201 HG2 GLU 31 1HG GLU 31 -9.284 6.347 -10.174 202 HG3 GLU 31 2HG GLU 31 -10.162 7.762 -9.596 203 H LYS 32 H LYS 32 -7.678 5.596 -7.365 204 HA LYS 32 HA LYS 32 -10.416 4.666 -7.110 205 HB2 LYS 32 1HB LYS 32 -7.733 3.360 -7.284 206 HB3 LYS 32 2HB LYS 32 -9.073 2.454 -6.596 207 HG2 LYS 32 1HG LYS 32 -10.189 2.320 -8.584 208 HG3 LYS 32 2HG LYS 32 -9.478 3.810 -9.210 209 HD2 LYS 32 1HD LYS 32 -7.287 2.593 -9.348 210 HD3 LYS 32 2HD LYS 32 -8.160 1.111 -8.952 211 HE2 LYS 32 1HE LYS 32 -7.920 1.226 -11.331 212 HE3 LYS 32 2HE LYS 32 -9.613 1.515 -10.933 213 HZ1 LYS 32 1HZ LYS 32 -8.366 3.990 -10.953 214 HZ2 LYS 32 2HZ LYS 32 -9.476 3.389 -12.079 215 HZ3 LYS 32 3HZ LYS 32 -7.816 3.182 -12.334 216 H LEU 33 H LEU 33 -8.137 6.008 -5.085 217 HA LEU 33 HA LEU 33 -9.012 4.510 -2.726 218 HB2 LEU 33 1HB LEU 33 -6.602 4.894 -3.029 219 HB3 LEU 33 2HB LEU 33 -6.876 6.626 -3.016 220 HG LEU 33 HG LEU 33 -7.830 6.302 -0.667 221 HD11 LEU 33 1HD1 LEU 33 -8.160 3.915 -0.713 222 HD12 LEU 33 2HD1 LEU 33 -6.443 3.651 -1.020 223 HD13 LEU 33 3HD1 LEU 33 -6.970 4.319 0.524 224 HD21 LEU 33 1HD2 LEU 33 -4.915 5.619 -0.951 225 HD22 LEU 33 2HD2 LEU 33 -5.559 7.223 -1.302 226 HD23 LEU 33 3HD2 LEU 33 -5.702 6.552 0.322 227 H LYS 34 H LYS 34 -8.915 7.802 -4.022 228 HA LYS 34 HA LYS 34 -9.992 9.192 -1.886 229 HB2 LYS 34 1HB LYS 34 -10.566 10.909 -3.431 230 HB3 LYS 34 2HB LYS 34 -9.102 10.152 -4.042 231 HG2 LYS 34 1HG LYS 34 -10.347 8.938 -5.692 232 HG3 LYS 34 2HG LYS 34 -11.876 9.499 -5.011 233 HD2 LYS 34 1HD LYS 34 -9.784 11.382 -6.076 234 HD3 LYS 34 2HD LYS 34 -11.054 10.697 -7.093 235 HE2 LYS 34 1HE LYS 34 -11.604 12.212 -4.549 236 HE3 LYS 34 2HE LYS 34 -11.525 12.982 -6.133 237 HZ1 LYS 34 1HZ LYS 34 -13.310 10.680 -5.675 238 HZ2 LYS 34 2HZ LYS 34 -13.420 11.893 -6.847 239 HZ3 LYS 34 3HZ LYS 34 -13.795 12.240 -5.235 240 H GLN 35 H GLN 35 -11.616 7.262 -4.341 241 HA GLN 35 HA GLN 35 -14.257 8.025 -3.757 242 HB2 GLN 35 1HB GLN 35 -13.268 5.366 -4.801 243 HB3 GLN 35 2HB GLN 35 -14.917 5.968 -4.907 244 HG2 GLN 35 1HG GLN 35 -14.098 7.844 -6.293 245 HG3 GLN 35 2HG GLN 35 -12.490 7.123 -6.257 246 HE21 GLN 35 1HE2 GLN 35 -15.760 5.823 -6.715 247 HE22 GLN 35 2HE2 GLN 35 -15.418 5.022 -8.206 248 H GLY 36 H GLY 36 -12.274 5.345 -2.525 249 HA2 GLY 36 1HA GLY 36 -13.326 5.397 0.057 250 HA3 GLY 36 2HA GLY 36 -14.277 4.239 -0.861 251 H ALA 37 H ALA 37 -11.760 4.488 1.194 252 HA ALA 37 HA ALA 37 -9.639 3.046 0.304 253 HB1 ALA 37 1HB ALA 37 -11.012 3.101 2.958 254 HB2 ALA 37 2HB ALA 37 -9.636 2.029 2.692 255 HB3 ALA 37 3HB ALA 37 -9.449 3.771 2.490 256 H SER 38 H SER 38 -12.795 1.773 1.236 257 HA SER 38 HA SER 38 -12.196 -0.951 1.217 258 HB2 SER 38 1HB SER 38 -14.790 0.382 0.402 259 HB3 SER 38 2HB SER 38 -14.599 -1.310 0.863 260 HG SER 38 HG SER 38 -15.054 -0.532 2.775 261 H LYS 39 H LYS 39 -12.991 1.242 -1.418 262 HA LYS 39 HA LYS 39 -13.336 -0.686 -3.439 263 HB2 LYS 39 1HB LYS 39 -12.300 2.138 -3.744 264 HB3 LYS 39 2HB LYS 39 -13.016 1.147 -5.007 265 HG2 LYS 39 1HG LYS 39 -14.623 1.676 -2.567 266 HG3 LYS 39 2HG LYS 39 -14.403 2.987 -3.729 267 HD2 LYS 39 1HD LYS 39 -15.093 1.180 -5.477 268 HD3 LYS 39 2HD LYS 39 -15.775 0.352 -4.075 269 HE2 LYS 39 1HE LYS 39 -17.587 1.591 -4.687 270 HE3 LYS 39 2HE LYS 39 -16.799 2.751 -3.619 271 HZ1 LYS 39 1HZ LYS 39 -17.283 3.972 -5.512 272 HZ2 LYS 39 2HZ LYS 39 -16.872 2.717 -6.569 273 HZ3 LYS 39 3HZ LYS 39 -15.659 3.559 -5.744 274 H LYS 40 H LYS 40 -11.945 -1.741 -4.753 275 HA LYS 40 HA LYS 40 -9.289 -2.147 -3.953 276 HB2 LYS 40 1HB LYS 40 -10.395 -2.681 -6.711 277 HB3 LYS 40 2HB LYS 40 -9.049 -3.495 -5.924 278 HG2 LYS 40 1HG LYS 40 -11.686 -3.605 -4.578 279 HG3 LYS 40 2HG LYS 40 -11.476 -4.552 -6.053 280 HD2 LYS 40 1HD LYS 40 -9.334 -5.433 -4.971 281 HD3 LYS 40 2HD LYS 40 -9.954 -4.746 -3.468 282 HE2 LYS 40 1HE LYS 40 -10.687 -6.955 -3.400 283 HE3 LYS 40 2HE LYS 40 -12.095 -6.072 -3.990 284 HZ1 LYS 40 1HZ LYS 40 -12.029 -7.753 -5.494 285 HZ2 LYS 40 2HZ LYS 40 -10.351 -7.948 -5.401 286 HZ3 LYS 40 3HZ LYS 40 -11.005 -6.669 -6.294 287 H CYS 41 H CYS 41 -7.827 -0.554 -3.953 288 HA CYS 41 HA CYS 41 -7.551 1.061 -6.402 289 HB2 CYS 41 1HB CYS 41 -6.576 2.830 -4.961 290 HB3 CYS 41 2HB CYS 41 -8.246 2.461 -4.548 291 HG CYS 41 HG CYS 41 -7.839 1.867 -2.080 292 H ILE 42 H ILE 42 -5.971 -0.901 -4.009 293 HA ILE 42 HA ILE 42 -3.305 -0.299 -4.943 294 HB ILE 42 HB ILE 42 -4.336 -2.364 -3.000 295 HG12 ILE 42 1HG1 ILE 42 -2.603 0.058 -2.495 296 HG13 ILE 42 2HG1 ILE 42 -4.359 0.094 -2.375 297 HG21 ILE 42 1HG2 ILE 42 -1.620 -1.927 -4.138 298 HG22 ILE 42 2HG2 ILE 42 -1.768 -2.406 -2.448 299 HG23 ILE 42 3HG2 ILE 42 -2.439 -3.431 -3.716 300 HD11 ILE 42 1HD1 ILE 42 -2.833 -1.941 -0.828 301 HD12 ILE 42 2HD1 ILE 42 -2.896 -0.273 -0.257 302 HD13 ILE 42 3HD1 ILE 42 -4.388 -1.188 -0.475 303 H GLN 43 H GLN 43 -2.697 -1.024 -6.876 304 HA GLN 43 HA GLN 43 -3.707 -3.582 -7.858 305 HB2 GLN 43 1HB GLN 43 -3.614 -1.398 -9.233 306 HB3 GLN 43 2HB GLN 43 -1.893 -1.726 -9.375 307 HG2 GLN 43 1HG GLN 43 -2.422 -3.912 -10.381 308 HG3 GLN 43 2HG GLN 43 -4.135 -3.503 -10.306 309 HE21 GLN 43 1HE2 GLN 43 -4.678 -3.303 -12.382 310 HE22 GLN 43 2HE2 GLN 43 -3.924 -2.232 -13.509 311 H ASN 44 H ASN 44 -2.583 -5.369 -7.514 312 HA ASN 44 HA ASN 44 0.111 -5.314 -6.560 313 HB2 ASN 44 1HB ASN 44 -0.071 -7.692 -6.381 314 HB3 ASN 44 2HB ASN 44 -1.632 -7.022 -5.915 315 HD21 ASN 44 1HD2 ASN 44 -1.886 -9.484 -6.457 316 HD22 ASN 44 2HD2 ASN 44 -2.482 -9.801 -8.047 317 H GLU 45 H GLU 45 1.655 -7.049 -7.626 318 HA GLU 45 HA GLU 45 2.516 -5.975 -10.066 319 HB2 GLU 45 1HB GLU 45 3.187 -8.699 -8.943 320 HB3 GLU 45 2HB GLU 45 4.123 -7.794 -10.123 321 HG2 GLU 45 1HG GLU 45 4.120 -5.988 -8.187 322 HG3 GLU 45 2HG GLU 45 3.893 -7.426 -7.194 323 H ALA 46 H ALA 46 0.240 -8.475 -9.346 324 HA ALA 46 HA ALA 46 0.265 -9.571 -12.030 325 HB1 ALA 46 1HB ALA 46 -2.012 -10.427 -10.546 326 HB2 ALA 46 2HB ALA 46 -0.587 -11.352 -11.022 327 HB3 ALA 46 3HB ALA 46 -0.597 -10.471 -9.494 328 H GLY 47 H GLY 47 -0.809 -6.758 -10.886 329 HA2 GLY 47 1HA GLY 47 -2.186 -5.199 -11.913 330 HA3 GLY 47 2HA GLY 47 -2.738 -6.456 -13.010 331 H ASP 48 H ASP 48 -3.249 -8.078 -10.414 332 HA ASP 48 HA ASP 48 -6.026 -7.549 -10.289 333 HB2 ASP 48 1HB ASP 48 -4.268 -9.171 -8.436 334 HB3 ASP 48 2HB ASP 48 -6.029 -9.190 -8.428 335 H TRP 49 H TRP 49 -6.895 -5.806 -9.391 336 HA TRP 49 HA TRP 49 -5.582 -4.158 -7.510 337 HB2 TRP 49 1HB TRP 49 -8.522 -4.296 -8.214 338 HB3 TRP 49 2HB TRP 49 -7.743 -2.985 -7.334 339 HD1 TRP 49 HD1 TRP 49 -7.824 -4.567 -10.848 340 HE1 TRP 49 HE1 TRP 49 -7.062 -2.791 -12.548 341 HE3 TRP 49 HE3 TRP 49 -6.478 -0.857 -7.598 342 HZ2 TRP 49 HZ2 TRP 49 -6.026 -0.166 -12.516 343 HZ3 TRP 49 HZ3 TRP 49 -5.611 1.256 -8.514 344 HH2 TRP 49 HH2 TRP 49 -5.389 1.592 -10.922 345 H LEU 50 H LEU 50 -6.093 -3.756 -5.312 346 HA LEU 50 HA LEU 50 -7.667 -5.798 -3.929 347 HB2 LEU 50 1HB LEU 50 -4.843 -5.061 -3.154 348 HB3 LEU 50 2HB LEU 50 -5.901 -6.140 -2.265 349 HG LEU 50 HG LEU 50 -5.118 -6.723 -5.107 350 HD11 LEU 50 1HD1 LEU 50 -3.636 -8.235 -3.147 351 HD12 LEU 50 2HD1 LEU 50 -3.060 -7.341 -4.554 352 HD13 LEU 50 3HD1 LEU 50 -3.297 -6.510 -3.018 353 HD21 LEU 50 1HD2 LEU 50 -5.749 -8.666 -2.913 354 HD22 LEU 50 2HD2 LEU 50 -7.029 -7.888 -3.842 355 HD23 LEU 50 3HD2 LEU 50 -5.834 -8.894 -4.660 356 H THR 51 H THR 51 -8.615 -5.115 -2.036 357 HA THR 51 HA THR 51 -8.985 -2.311 -1.733 358 HB THR 51 HB THR 51 -10.429 -2.848 0.135 359 HG1 THR 51 HG1 THR 51 -9.338 -5.474 -0.089 360 HG21 THR 51 1HG2 THR 51 -11.006 -3.462 -2.348 361 HG22 THR 51 2HG2 THR 51 -12.073 -3.965 -1.038 362 HG23 THR 51 3HG2 THR 51 -10.938 -5.115 -1.742 363 H VAL 52 H VAL 52 -8.392 -0.958 -0.023 364 HA VAL 52 HA VAL 52 -5.847 -0.908 0.858 365 HB VAL 52 HB VAL 52 -8.242 -0.007 2.464 366 HG11 VAL 52 1HG1 VAL 52 -6.743 1.455 3.650 367 HG12 VAL 52 2HG1 VAL 52 -6.154 -0.202 3.791 368 HG13 VAL 52 3HG1 VAL 52 -5.380 0.918 2.670 369 HG21 VAL 52 1HG2 VAL 52 -7.979 0.893 0.121 370 HG22 VAL 52 2HG2 VAL 52 -8.010 2.102 1.405 371 HG23 VAL 52 3HG2 VAL 52 -6.477 1.640 0.665 372 H LYS 53 H LYS 53 -8.348 -2.983 2.037 373 HA LYS 53 HA LYS 53 -6.885 -3.737 4.426 374 HB2 LYS 53 1HB LYS 53 -9.496 -3.637 4.016 375 HB3 LYS 53 2HB LYS 53 -9.243 -5.275 3.429 376 HG2 LYS 53 1HG LYS 53 -8.368 -5.970 5.542 377 HG3 LYS 53 2HG LYS 53 -8.371 -4.310 6.142 378 HD2 LYS 53 1HD LYS 53 -10.896 -5.644 5.219 379 HD3 LYS 53 2HD LYS 53 -10.289 -5.862 6.862 380 HE2 LYS 53 1HE LYS 53 -10.579 -3.110 5.735 381 HE3 LYS 53 2HE LYS 53 -12.000 -3.963 6.333 382 HZ1 LYS 53 1HZ LYS 53 -10.694 -4.311 8.439 383 HZ2 LYS 53 2HZ LYS 53 -11.175 -2.719 8.129 384 HZ3 LYS 53 3HZ LYS 53 -9.575 -3.189 7.846 385 H GLU 54 H GLU 54 -8.058 -5.434 1.513 386 HA GLU 54 HA GLU 54 -6.939 -7.886 1.845 387 HB2 GLU 54 1HB GLU 54 -7.483 -6.205 -0.545 388 HB3 GLU 54 2HB GLU 54 -6.476 -7.627 -0.778 389 HG2 GLU 54 1HG GLU 54 -8.365 -8.873 0.472 390 HG3 GLU 54 2HG GLU 54 -9.335 -7.457 0.069 391 H PHE 55 H PHE 55 -5.292 -5.142 0.272 392 HA PHE 55 HA PHE 55 -2.864 -6.202 -0.287 393 HB2 PHE 55 1HB PHE 55 -3.563 -3.828 -0.677 394 HB3 PHE 55 2HB PHE 55 -3.220 -3.499 1.019 395 HD1 PHE 55 HD1 PHE 55 -1.433 -5.326 -1.704 396 HD2 PHE 55 HD2 PHE 55 -1.294 -2.293 1.279 397 HE1 PHE 55 HE1 PHE 55 0.919 -4.880 -2.273 398 HE2 PHE 55 HE2 PHE 55 1.058 -1.842 0.715 399 HZ PHE 55 HZ PHE 55 2.167 -3.135 -1.063 400 H LEU 56 H LEU 56 -3.899 -5.002 2.886 401 HA LEU 56 HA LEU 56 -1.492 -5.398 4.251 402 HB2 LEU 56 1HB LEU 56 -4.206 -5.774 5.494 403 HB3 LEU 56 2HB LEU 56 -2.737 -5.193 6.257 404 HG LEU 56 HG LEU 56 -4.359 -3.705 4.190 405 HD11 LEU 56 1HD1 LEU 56 -4.859 -2.177 6.040 406 HD12 LEU 56 2HD1 LEU 56 -5.471 -3.803 6.345 407 HD13 LEU 56 3HD1 LEU 56 -4.002 -3.249 7.147 408 HD21 LEU 56 1HD2 LEU 56 -2.562 -2.008 5.523 409 HD22 LEU 56 2HD2 LEU 56 -1.633 -3.421 5.024 410 HD23 LEU 56 3HD2 LEU 56 -2.536 -2.493 3.827 411 H ASN 57 H ASN 57 -4.365 -7.517 4.229 412 HA ASN 57 HA ASN 57 -3.426 -9.637 5.661 413 HB2 ASN 57 1HB ASN 57 -5.694 -9.245 4.365 414 HB3 ASN 57 2HB ASN 57 -4.915 -10.241 3.140 415 HD21 ASN 57 1HD2 ASN 57 -7.248 -10.786 4.805 416 HD22 ASN 57 2HD2 ASN 57 -6.891 -12.243 5.662 417 H GLU 58 H GLU 58 -2.828 -8.972 2.235 418 HA GLU 58 HA GLU 58 -1.529 -11.298 1.504 419 HB2 GLU 58 1HB GLU 58 -1.421 -8.471 0.593 420 HB3 GLU 58 2HB GLU 58 -0.126 -9.534 0.059 421 HG2 GLU 58 1HG GLU 58 -1.803 -11.083 -0.854 422 HG3 GLU 58 2HG GLU 58 -3.074 -9.961 -0.371 423 H GLY 59 H GLY 59 -0.321 -8.563 3.345 424 HA2 GLY 59 1HA GLY 59 2.381 -9.671 3.378 425 HA3 GLY 59 2HA GLY 59 1.882 -8.127 4.053 426 H GLY 60 H GLY 60 -0.317 -9.105 5.588 427 HA2 GLY 60 1HA GLY 60 -0.567 -10.888 7.309 428 HA3 GLY 60 2HA GLY 60 1.151 -10.679 7.614 429 H ARG 61 H ARG 61 -0.987 -7.985 6.991 430 HA ARG 61 HA ARG 61 -0.704 -7.188 9.814 431 HB2 ARG 61 1HB ARG 61 -0.612 -5.550 7.289 432 HB3 ARG 61 2HB ARG 61 -0.951 -4.817 8.852 433 HG2 ARG 61 1HG ARG 61 1.509 -6.454 8.298 434 HG3 ARG 61 2HG ARG 61 1.435 -4.703 8.090 435 HD2 ARG 61 1HD ARG 61 1.208 -4.312 10.359 436 HD3 ARG 61 2HD ARG 61 0.590 -5.932 10.678 437 HE ARG 61 HE ARG 61 2.755 -6.708 10.832 438 HH11 ARG 61 1HH1 ARG 61 2.738 -3.447 9.612 439 HH12 ARG 61 2HH1 ARG 61 4.449 -3.235 9.784 440 HH21 ARG 61 1HH2 ARG 61 5.009 -6.441 11.063 441 HH22 ARG 61 2HH2 ARG 61 5.740 -4.939 10.609 442 H ALA 62 H ALA 62 -2.869 -8.617 8.147 443 HA ALA 62 HA ALA 62 -5.127 -7.116 7.770 444 HB1 ALA 62 1HB ALA 62 -5.640 -9.671 9.124 445 HB2 ALA 62 2HB ALA 62 -6.195 -9.081 7.557 446 HB3 ALA 62 3HB ALA 62 -4.580 -9.770 7.718 447 H THR 63 H THR 63 -3.904 -8.419 10.824 448 HA THR 63 HA THR 63 -6.055 -7.772 12.470 449 HB THR 63 HB THR 63 -4.440 -7.761 14.339 450 HG1 THR 63 HG1 THR 63 -2.331 -8.366 12.603 451 HG21 THR 63 1HG2 THR 63 -3.383 -10.053 13.763 452 HG22 THR 63 2HG2 THR 63 -4.304 -9.922 12.264 453 HG23 THR 63 3HG2 THR 63 -5.140 -9.920 13.817 454 H SER 64 H SER 64 -3.253 -5.817 11.526 455 HA SER 64 HA SER 64 -3.645 -3.611 13.145 456 HB2 SER 64 1HB SER 64 -1.811 -4.183 11.315 457 HB3 SER 64 2HB SER 64 -2.827 -3.152 10.308 458 HG SER 64 HG SER 64 -1.017 -2.240 11.757 459 H LYS 65 H LYS 65 -4.868 -1.772 13.055 460 HA LYS 65 HA LYS 65 -7.219 -1.898 11.326 461 HB2 LYS 65 1HB LYS 65 -8.060 -0.058 12.817 462 HB3 LYS 65 2HB LYS 65 -7.735 -1.580 13.637 463 HG2 LYS 65 1HG LYS 65 -5.551 0.419 13.567 464 HG3 LYS 65 2HG LYS 65 -6.942 0.761 14.599 465 HD2 LYS 65 1HD LYS 65 -6.512 -1.004 15.994 466 HD3 LYS 65 2HD LYS 65 -5.727 -1.952 14.728 467 HE2 LYS 65 1HE LYS 65 -3.964 -1.350 16.119 468 HE3 LYS 65 2HE LYS 65 -3.886 -0.154 14.826 469 HZ1 LYS 65 1HZ LYS 65 -5.190 0.277 17.460 470 HZ2 LYS 65 2HZ LYS 65 -5.008 1.426 16.233 471 HZ3 LYS 65 3HZ LYS 65 -3.647 0.831 17.042 472 H ASP 66 H ASP 66 -4.392 0.063 11.944 473 HA ASP 66 HA ASP 66 -5.288 2.110 10.064 474 HB2 ASP 66 1HB ASP 66 -2.613 2.106 11.431 475 HB3 ASP 66 2HB ASP 66 -3.577 3.476 10.887 476 H TRP 67 H TRP 67 -4.979 1.693 7.982 477 HA TRP 67 HA TRP 67 -2.916 -0.107 7.083 478 HB2 TRP 67 1HB TRP 67 -3.820 0.449 4.807 479 HB3 TRP 67 2HB TRP 67 -5.018 -0.190 5.929 480 HD1 TRP 67 HD1 TRP 67 -6.855 1.558 6.882 481 HE1 TRP 67 HE1 TRP 67 -7.746 3.766 5.903 482 HE3 TRP 67 HE3 TRP 67 -3.170 2.474 3.459 483 HZ2 TRP 67 HZ2 TRP 67 -6.987 5.646 3.940 484 HZ3 TRP 67 HZ3 TRP 67 -3.327 4.499 2.070 485 HH2 TRP 67 HH2 TRP 67 -5.197 6.051 2.307 486 H LYS 68 H LYS 68 -3.346 3.319 7.378 487 HA LYS 68 HA LYS 68 -1.395 4.155 5.508 488 HB2 LYS 68 1HB LYS 68 -2.494 5.495 7.982 489 HB3 LYS 68 2HB LYS 68 -1.408 6.285 6.846 490 HG2 LYS 68 1HG LYS 68 -3.020 6.148 5.095 491 HG3 LYS 68 2HG LYS 68 -4.073 5.123 6.073 492 HD2 LYS 68 1HD LYS 68 -4.034 7.133 7.730 493 HD3 LYS 68 2HD LYS 68 -3.516 8.053 6.315 494 HE2 LYS 68 1HE LYS 68 -5.541 6.992 5.142 495 HE3 LYS 68 2HE LYS 68 -6.091 6.578 6.765 496 HZ1 LYS 68 1HZ LYS 68 -5.413 9.209 6.949 497 HZ2 LYS 68 2HZ LYS 68 -6.983 8.599 6.795 498 HZ3 LYS 68 3HZ LYS 68 -6.133 9.103 5.422 499 H GLY 69 H GLY 69 -1.197 2.888 8.725 500 HA2 GLY 69 1HA GLY 69 1.537 3.807 9.112 501 HA3 GLY 69 2HA GLY 69 0.586 2.855 10.242 502 H VAL 70 H VAL 70 -0.158 0.740 8.573 503 HA VAL 70 HA VAL 70 2.161 -0.885 8.728 504 HB VAL 70 HB VAL 70 0.778 -2.616 7.613 505 HG11 VAL 70 1HG1 VAL 70 -0.516 -1.118 9.886 506 HG12 VAL 70 2HG1 VAL 70 -0.951 -2.754 9.389 507 HG13 VAL 70 3HG1 VAL 70 0.666 -2.420 10.008 508 HG21 VAL 70 1HG2 VAL 70 -0.926 -0.260 7.082 509 HG22 VAL 70 2HG2 VAL 70 -0.676 -1.718 6.123 510 HG23 VAL 70 3HG2 VAL 70 -1.756 -1.754 7.516 511 H ILE 71 H ILE 71 0.423 0.600 6.022 512 HA ILE 71 HA ILE 71 2.209 -0.509 4.054 513 HB ILE 71 HB ILE 71 0.128 1.663 3.776 514 HG12 ILE 71 1HG1 ILE 71 -0.026 -1.251 2.983 515 HG13 ILE 71 2HG1 ILE 71 -0.710 -0.601 4.469 516 HG21 ILE 71 1HG2 ILE 71 0.440 1.642 1.496 517 HG22 ILE 71 2HG2 ILE 71 2.092 1.432 2.072 518 HG23 ILE 71 3HG2 ILE 71 1.174 0.039 1.502 519 HD11 ILE 71 1HD1 ILE 71 -1.481 0.551 1.825 520 HD12 ILE 71 2HD1 ILE 71 -2.229 -0.933 2.415 521 HD13 ILE 71 3HD1 ILE 71 -2.365 0.555 3.351 522 H ARG 72 H ARG 72 3.993 0.383 3.205 523 HA ARG 72 HA ARG 72 4.685 3.120 4.053 524 HB2 ARG 72 1HB ARG 72 6.587 0.853 3.434 525 HB3 ARG 72 2HB ARG 72 7.026 2.458 4.001 526 HG2 ARG 72 1HG ARG 72 5.799 2.016 6.098 527 HG3 ARG 72 2HG ARG 72 5.478 0.377 5.527 528 HD2 ARG 72 1HD ARG 72 8.274 1.447 5.680 529 HD3 ARG 72 2HD ARG 72 7.480 0.770 7.102 530 HE ARG 72 HE ARG 72 7.148 -1.140 5.198 531 HH11 ARG 72 1HH1 ARG 72 9.902 0.557 6.484 532 HH12 ARG 72 2HH1 ARG 72 11.000 -0.757 6.218 533 HH21 ARG 72 1HH2 ARG 72 8.584 -2.877 4.843 534 HH22 ARG 72 2HH2 ARG 72 10.250 -2.709 5.284 535 H CYS 73 H CYS 73 5.311 4.565 2.535 536 HA CYS 73 HA CYS 73 5.406 3.611 -0.251 537 HB2 CYS 73 1HB CYS 73 3.465 4.987 0.047 538 HB3 CYS 73 2HB CYS 73 4.398 6.221 0.885 539 HG CYS 73 HG CYS 73 5.061 5.446 -2.368 540 H ASN 74 H ASN 74 7.489 3.489 -0.815 541 HA ASN 74 HA ASN 74 9.619 4.115 -1.307 542 HB2 ASN 74 1HB ASN 74 8.202 6.721 -1.074 543 HB3 ASN 74 2HB ASN 74 9.963 6.758 -1.066 544 HD21 ASN 74 1HD2 ASN 74 7.729 7.492 -3.029 545 HD22 ASN 74 2HD2 ASN 74 8.270 6.809 -4.521 546 H GLY 75 H GLY 75 8.898 3.360 1.388 547 HA2 GLY 75 1HA GLY 75 10.285 3.033 3.248 548 HA3 GLY 75 2HA GLY 75 11.265 4.396 2.728 549 H GLU 76 H GLU 76 8.385 5.698 2.448 550 HA GLU 76 HA GLU 76 8.272 6.543 5.269 551 HB2 GLU 76 1HB GLU 76 7.749 8.113 2.744 552 HB3 GLU 76 2HB GLU 76 7.313 8.692 4.346 553 HG2 GLU 76 1HG GLU 76 9.340 9.711 4.007 554 HG3 GLU 76 2HG GLU 76 9.807 8.266 4.904 555 H THR 77 H THR 77 6.459 6.100 6.320 556 HA THR 77 HA THR 77 4.331 4.672 5.262 557 HB THR 77 HB THR 77 3.104 5.181 7.306 558 HG1 THR 77 HG1 THR 77 5.027 6.785 8.433 559 HG21 THR 77 1HG2 THR 77 5.914 5.003 8.279 560 HG22 THR 77 2HG2 THR 77 5.317 3.739 7.203 561 HG23 THR 77 3HG2 THR 77 4.500 4.053 8.734 562 H LEU 78 H LEU 78 2.217 5.210 4.672 563 HA LEU 78 HA LEU 78 1.825 7.330 2.987 564 HB2 LEU 78 1HB LEU 78 -0.316 6.047 4.686 565 HB3 LEU 78 2HB LEU 78 -0.566 6.919 3.186 566 HG LEU 78 HG LEU 78 0.976 4.335 3.425 567 HD11 LEU 78 1HD1 LEU 78 -1.842 4.829 3.367 568 HD12 LEU 78 2HD1 LEU 78 -1.349 4.016 1.881 569 HD13 LEU 78 3HD1 LEU 78 -0.978 3.293 3.446 570 HD21 LEU 78 1HD2 LEU 78 1.094 4.326 1.078 571 HD22 LEU 78 2HD2 LEU 78 -0.073 5.639 0.931 572 HD23 LEU 78 3HD2 LEU 78 1.544 5.963 1.555 573 H ARG 79 H ARG 79 0.891 7.166 6.416 574 HA ARG 79 HA ARG 79 -0.281 9.664 6.659 575 HB2 ARG 79 1HB ARG 79 -0.323 7.941 8.420 576 HB3 ARG 79 2HB ARG 79 1.388 8.213 8.721 577 HG2 ARG 79 1HG ARG 79 0.674 10.660 9.162 578 HG3 ARG 79 2HG ARG 79 -0.942 9.974 9.344 579 HD2 ARG 79 1HD ARG 79 1.320 8.700 10.801 580 HD3 ARG 79 2HD ARG 79 0.692 10.234 11.402 581 HE ARG 79 HE ARG 79 -1.397 8.364 10.906 582 HH11 ARG 79 1HH1 ARG 79 1.099 9.222 13.177 583 HH12 ARG 79 2HH1 ARG 79 0.282 8.525 14.537 584 HH21 ARG 79 1HH2 ARG 79 -2.482 7.444 12.689 585 HH22 ARG 79 2HH2 ARG 79 -1.754 7.513 14.258 586 H HIS 80 H HIS 80 3.128 8.762 6.809 587 HA HIS 80 HA HIS 80 4.152 11.233 7.659 588 HB2 HIS 80 1HB HIS 80 5.422 9.078 7.586 589 HB3 HIS 80 2HB HIS 80 5.515 9.243 5.835 590 HD1 HIS 80 HD1 HIS 80 7.289 10.089 8.865 591 HD2 HIS 80 HD2 HIS 80 6.960 11.704 5.052 592 HE1 HIS 80 HE1 HIS 80 9.261 11.629 8.615 593 HE2 HIS 80 HE2 HIS 80 8.994 12.660 6.333 594 H LEU 81 H LEU 81 3.810 9.914 4.367 595 HA LEU 81 HA LEU 81 4.775 12.156 3.000 596 HB2 LEU 81 1HB LEU 81 2.746 10.099 2.123 597 HB3 LEU 81 2HB LEU 81 3.526 11.249 1.052 598 HG LEU 81 HG LEU 81 4.986 9.142 2.647 599 HD11 LEU 81 1HD1 LEU 81 4.231 9.185 -0.271 600 HD12 LEU 81 2HD1 LEU 81 5.262 7.988 0.512 601 HD13 LEU 81 3HD1 LEU 81 3.562 8.118 0.962 602 HD21 LEU 81 1HD2 LEU 81 6.772 9.740 0.903 603 HD22 LEU 81 2HD2 LEU 81 5.836 11.213 0.653 604 HD23 LEU 81 3HD2 LEU 81 6.513 10.858 2.242 605 H GLU 82 H GLU 82 1.482 11.294 3.986 606 HA GLU 82 HA GLU 82 0.086 13.342 2.741 607 HB2 GLU 82 1HB GLU 82 -1.010 11.471 3.876 608 HB3 GLU 82 2HB GLU 82 -0.461 12.078 5.432 609 HG2 GLU 82 1HG GLU 82 -2.158 13.772 3.647 610 HG3 GLU 82 2HG GLU 82 -2.880 12.543 4.684 611 H GLN 83 H GLN 83 1.701 13.331 5.896 612 HA GLN 83 HA GLN 83 0.908 15.832 6.805 613 HB2 GLN 83 1HB GLN 83 3.421 14.235 7.254 614 HB3 GLN 83 2HB GLN 83 3.161 15.790 8.035 615 HG2 GLN 83 1HG GLN 83 1.022 14.852 8.957 616 HG3 GLN 83 2HG GLN 83 1.542 13.279 8.352 617 HE21 GLN 83 1HE2 GLN 83 1.085 13.361 10.931 618 HE22 GLN 83 2HE2 GLN 83 2.546 13.400 11.853 619 H LYS 84 H LYS 84 3.498 14.948 4.589 620 HA LYS 84 HA LYS 84 4.497 17.649 4.408 621 HB2 LYS 84 1HB LYS 84 5.135 15.134 2.863 622 HB3 LYS 84 2HB LYS 84 5.924 16.679 2.573 623 HG2 LYS 84 1HG LYS 84 7.128 16.588 4.506 624 HG3 LYS 84 2HG LYS 84 5.920 15.612 5.344 625 HD2 LYS 84 1HD LYS 84 7.616 14.080 5.019 626 HD3 LYS 84 2HD LYS 84 6.596 13.787 3.608 627 HE2 LYS 84 1HE LYS 84 8.632 13.930 2.586 628 HE3 LYS 84 2HE LYS 84 8.157 15.627 2.537 629 HZ1 LYS 84 1HZ LYS 84 10.388 14.460 3.800 630 HZ2 LYS 84 2HZ LYS 84 9.424 15.205 4.972 631 HZ3 LYS 84 3HZ LYS 84 9.993 16.098 3.653 632 H GLY 85 H GLY 85 1.680 16.626 3.507 633 HA2 GLY 85 1HA GLY 85 0.150 17.252 1.915 634 HA3 GLY 85 2HA GLY 85 1.250 18.567 1.530 635 H LEU 86 H LEU 86 2.088 15.171 1.264 636 HA LEU 86 HA LEU 86 2.406 15.554 -1.630 637 HB2 LEU 86 1HB LEU 86 3.552 13.326 0.044 638 HB3 LEU 86 2HB LEU 86 4.009 13.783 -1.586 639 HG LEU 86 HG LEU 86 4.431 15.559 0.816 640 HD11 LEU 86 1HD1 LEU 86 6.711 14.842 0.859 641 HD12 LEU 86 2HD1 LEU 86 5.684 13.413 0.973 642 HD13 LEU 86 3HD1 LEU 86 6.467 13.815 -0.554 643 HD21 LEU 86 1HD2 LEU 86 4.491 16.102 -1.909 644 HD22 LEU 86 2HD2 LEU 86 5.176 17.087 -0.618 645 HD23 LEU 86 3HD2 LEU 86 6.183 15.907 -1.454 646 H LEU 87 H LEU 87 0.905 13.511 0.792 647 HA LEU 87 HA LEU 87 -0.465 12.036 -1.360 648 HB2 LEU 87 1HB LEU 87 1.063 10.907 0.508 649 HB3 LEU 87 2HB LEU 87 -0.430 10.994 1.425 650 HG LEU 87 HG LEU 87 -0.353 9.742 -1.306 651 HD11 LEU 87 1HD1 LEU 87 -0.150 7.559 -0.110 652 HD12 LEU 87 2HD1 LEU 87 1.313 8.543 -0.095 653 HD13 LEU 87 3HD1 LEU 87 0.292 8.460 1.340 654 HD21 LEU 87 1HD2 LEU 87 -2.182 8.414 0.195 655 HD22 LEU 87 2HD2 LEU 87 -2.284 10.033 0.885 656 HD23 LEU 87 3HD2 LEU 87 -2.550 9.792 -0.841 657 H PHE 88 H PHE 88 -2.458 12.760 -1.666 658 HA PHE 88 HA PHE 88 -3.901 14.461 -0.058 659 HB2 PHE 88 1HB PHE 88 -5.731 14.081 -1.463 660 HB3 PHE 88 2HB PHE 88 -4.356 13.665 -2.480 661 HD1 PHE 88 HD1 PHE 88 -3.624 11.039 -1.971 662 HD2 PHE 88 HD2 PHE 88 -7.532 12.714 -1.781 663 HE1 PHE 88 HE1 PHE 88 -4.594 8.814 -2.374 664 HE2 PHE 88 HE2 PHE 88 -8.508 10.492 -2.182 665 HZ PHE 88 HZ PHE 88 -7.039 8.538 -2.479 666 H SER 89 H SER 89 -3.771 10.948 0.029 667 HA SER 89 HA SER 89 -4.631 9.405 1.471 668 HB2 SER 89 1HB SER 89 -4.245 11.743 3.352 669 HB3 SER 89 2HB SER 89 -4.633 10.108 3.887 670 HG SER 89 HG SER 89 -2.524 9.941 3.889 671 H GLY 90 H GLY 90 -6.582 10.598 -0.064 672 HA2 GLY 90 1HA GLY 90 -8.883 10.625 -0.172 673 HA3 GLY 90 2HA GLY 90 -8.911 10.064 1.493 674 HA PRO 91 HA PRO 91 -10.515 14.438 1.299 675 HB2 PRO 91 1HB PRO 91 -12.814 13.927 2.648 676 HB3 PRO 91 2HB PRO 91 -12.671 13.756 0.894 677 HG2 PRO 91 1HG PRO 91 -12.543 11.651 3.020 678 HG3 PRO 91 2HG PRO 91 -13.376 11.612 1.455 679 HD2 PRO 91 1HD PRO 91 -10.986 10.406 1.864 680 HD3 PRO 91 2HD PRO 91 -11.447 11.106 0.299 681 H SER 92 H SER 92 -10.631 15.918 3.016 682 HA SER 92 HA SER 92 -9.256 15.066 5.409 683 HB2 SER 92 1HB SER 92 -10.233 17.776 4.485 684 HB3 SER 92 2HB SER 92 -9.355 17.509 5.992 685 HG SER 92 HG SER 92 -7.787 16.406 4.422 686 H SER 93 H SER 93 -12.415 16.456 4.595 687 HA SER 93 HA SER 93 -13.341 16.356 7.315 688 HB2 SER 93 1HB SER 93 -14.096 17.995 5.480 689 HB3 SER 93 2HB SER 93 -15.100 16.671 4.888 690 HG SER 93 HG SER 93 -16.469 17.338 6.331 691 H GLY 94 H GLY 94 -13.925 14.544 8.299 692 HA2 GLY 94 1HA GLY 94 -14.861 12.484 8.687 693 HA3 GLY 94 2HA GLY 94 -15.858 12.769 7.269 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 12.646 10.699 -10.945 2 HA2 GLY 1 1HA GLY 1 12.775 12.005 -13.272 3 HA3 GLY 1 2HA GLY 1 13.825 10.633 -12.951 4 H SER 2 H SER 2 13.507 10.885 -15.470 5 HA SER 2 HA SER 2 11.724 8.716 -16.223 6 HB2 SER 2 1HB SER 2 10.568 11.046 -16.483 7 HB3 SER 2 2HB SER 2 11.610 11.207 -17.896 8 HG SER 2 HG SER 2 10.717 9.115 -18.552 9 H SER 3 H SER 3 12.394 7.591 -18.027 10 HA SER 3 HA SER 3 15.149 7.909 -18.745 11 HB2 SER 3 1HB SER 3 12.999 6.005 -19.687 12 HB3 SER 3 2HB SER 3 14.660 5.952 -20.275 13 HG SER 3 HG SER 3 15.357 5.480 -18.213 14 H GLY 4 H GLY 4 15.881 7.940 -21.029 15 HA2 GLY 4 1HA GLY 4 15.769 8.691 -23.230 16 HA3 GLY 4 2HA GLY 4 14.082 9.111 -22.974 17 H SER 5 H SER 5 13.806 10.993 -21.344 18 HA SER 5 HA SER 5 15.921 12.993 -21.698 19 HB2 SER 5 1HB SER 5 14.055 13.181 -23.460 20 HB3 SER 5 2HB SER 5 13.025 13.711 -22.130 21 HG SER 5 HG SER 5 15.459 14.921 -22.955 22 H SER 6 H SER 6 15.467 14.977 -20.339 23 HA SER 6 HA SER 6 14.038 14.264 -17.867 24 HB2 SER 6 1HB SER 6 15.824 15.136 -16.512 25 HB3 SER 6 2HB SER 6 16.529 13.979 -17.641 26 HG SER 6 HG SER 6 17.593 15.543 -18.588 27 H GLY 7 H GLY 7 12.764 15.819 -17.036 28 HA2 GLY 7 1HA GLY 7 13.004 18.492 -16.899 29 HA3 GLY 7 2HA GLY 7 12.468 18.271 -18.558 30 H ASN 8 H ASN 8 10.708 16.120 -18.186 31 HA ASN 8 HA ASN 8 8.506 17.527 -16.879 32 HB2 ASN 8 1HB ASN 8 8.690 15.379 -18.958 33 HB3 ASN 8 2HB ASN 8 7.206 15.550 -18.024 34 HD21 ASN 8 1HD2 ASN 8 9.388 17.141 -20.247 35 HD22 ASN 8 2HD2 ASN 8 8.257 18.316 -20.817 36 H ASP 9 H ASP 9 6.905 16.204 -15.667 37 HA ASP 9 HA ASP 9 8.296 14.206 -14.008 38 HB2 ASP 9 1HB ASP 9 6.708 14.820 -12.216 39 HB3 ASP 9 2HB ASP 9 7.671 16.196 -12.749 40 H ALA 10 H ALA 10 7.052 12.412 -13.209 41 HA ALA 10 HA ALA 10 5.630 11.032 -15.143 42 HB1 ALA 10 1HB ALA 10 6.205 10.682 -12.301 43 HB2 ALA 10 2HB ALA 10 4.705 9.916 -12.824 44 HB3 ALA 10 3HB ALA 10 6.226 9.509 -13.618 45 H VAL 11 H VAL 11 3.739 11.512 -16.032 46 HA VAL 11 HA VAL 11 1.763 13.048 -14.537 47 HB VAL 11 HB VAL 11 1.764 12.176 -17.431 48 HG11 VAL 11 1HG1 VAL 11 -0.288 13.327 -15.741 49 HG12 VAL 11 2HG1 VAL 11 0.074 14.353 -17.131 50 HG13 VAL 11 3HG1 VAL 11 -0.407 12.673 -17.374 51 HG21 VAL 11 1HG2 VAL 11 3.540 13.811 -16.747 52 HG22 VAL 11 2HG2 VAL 11 2.422 14.401 -17.977 53 HG23 VAL 11 3HG2 VAL 11 2.249 14.927 -16.302 54 H ASP 12 H ASP 12 1.799 10.085 -16.525 55 HA ASP 12 HA ASP 12 -0.775 9.229 -15.724 56 HB2 ASP 12 1HB ASP 12 0.164 8.389 -17.775 57 HB3 ASP 12 2HB ASP 12 1.552 7.718 -16.922 58 H PHE 13 H PHE 13 2.382 8.893 -14.325 59 HA PHE 13 HA PHE 13 1.439 6.886 -12.421 60 HB2 PHE 13 1HB PHE 13 4.159 8.004 -13.073 61 HB3 PHE 13 2HB PHE 13 3.882 7.030 -11.633 62 HD1 PHE 13 HD1 PHE 13 2.780 6.790 -15.193 63 HD2 PHE 13 HD2 PHE 13 4.688 4.904 -11.889 64 HE1 PHE 13 HE1 PHE 13 3.065 4.744 -16.530 65 HE2 PHE 13 HE2 PHE 13 4.977 2.855 -13.221 66 HZ PHE 13 HZ PHE 13 4.166 2.774 -15.545 67 H SER 14 H SER 14 1.170 10.086 -12.662 68 HA SER 14 HA SER 14 2.136 11.073 -10.198 69 HB2 SER 14 1HB SER 14 1.114 12.248 -12.403 70 HB3 SER 14 2HB SER 14 -0.294 12.329 -11.345 71 HG SER 14 HG SER 14 1.690 13.976 -11.349 72 HA PRO 15 HA PRO 15 -2.399 10.359 -8.637 73 HB2 PRO 15 1HB PRO 15 -3.925 8.654 -10.097 74 HB3 PRO 15 2HB PRO 15 -3.882 10.396 -10.391 75 HG2 PRO 15 1HG PRO 15 -2.443 8.197 -11.825 76 HG3 PRO 15 2HG PRO 15 -3.271 9.615 -12.495 77 HD2 PRO 15 1HD PRO 15 -0.581 9.499 -12.208 78 HD3 PRO 15 2HD PRO 15 -1.493 11.015 -12.060 79 H THR 16 H THR 16 -0.057 8.203 -9.574 80 HA THR 16 HA THR 16 -1.096 6.111 -7.775 81 HB THR 16 HB THR 16 0.245 4.473 -9.005 82 HG1 THR 16 HG1 THR 16 1.012 6.771 -10.468 83 HG21 THR 16 1HG2 THR 16 -2.102 4.982 -9.696 84 HG22 THR 16 2HG2 THR 16 -1.095 4.343 -10.995 85 HG23 THR 16 3HG2 THR 16 -1.452 6.068 -10.924 86 H LEU 17 H LEU 17 0.284 5.236 -6.251 87 HA LEU 17 HA LEU 17 2.977 6.388 -6.054 88 HB2 LEU 17 1HB LEU 17 1.097 6.124 -3.709 89 HB3 LEU 17 2HB LEU 17 2.709 6.815 -3.694 90 HG LEU 17 HG LEU 17 0.401 7.991 -5.241 91 HD11 LEU 17 1HD1 LEU 17 -0.171 9.305 -3.481 92 HD12 LEU 17 2HD1 LEU 17 0.389 7.892 -2.587 93 HD13 LEU 17 3HD1 LEU 17 1.452 9.283 -2.793 94 HD21 LEU 17 1HD2 LEU 17 2.863 9.446 -4.387 95 HD22 LEU 17 2HD2 LEU 17 2.908 8.419 -5.820 96 HD23 LEU 17 3HD2 LEU 17 1.777 9.769 -5.738 97 HA PRO 18 HA PRO 18 4.155 2.205 -5.332 98 HB2 PRO 18 1HB PRO 18 6.585 2.651 -4.207 99 HB3 PRO 18 2HB PRO 18 6.273 2.861 -5.934 100 HG2 PRO 18 1HG PRO 18 6.392 4.922 -3.766 101 HG3 PRO 18 2HG PRO 18 7.067 4.981 -5.405 102 HD2 PRO 18 1HD PRO 18 4.752 6.216 -4.739 103 HD3 PRO 18 2HD PRO 18 5.043 5.542 -6.355 104 H VAL 19 H VAL 19 3.234 1.013 -3.788 105 HA VAL 19 HA VAL 19 3.694 1.766 -0.973 106 HB VAL 19 HB VAL 19 1.549 0.701 -0.418 107 HG11 VAL 19 1HG1 VAL 19 1.672 3.003 -2.309 108 HG12 VAL 19 2HG1 VAL 19 0.099 2.400 -1.786 109 HG13 VAL 19 3HG1 VAL 19 1.265 2.975 -0.594 110 HG21 VAL 19 1HG2 VAL 19 1.158 0.477 -3.401 111 HG22 VAL 19 2HG2 VAL 19 1.479 -0.873 -2.312 112 HG23 VAL 19 3HG2 VAL 19 -0.015 0.050 -2.155 113 H THR 20 H THR 20 3.761 -0.013 0.554 114 HA THR 20 HA THR 20 4.144 -2.690 -0.476 115 HB THR 20 HB THR 20 6.412 -2.886 0.637 116 HG1 THR 20 HG1 THR 20 6.119 -0.738 1.697 117 HG21 THR 20 1HG2 THR 20 7.542 -2.368 -1.326 118 HG22 THR 20 2HG2 THR 20 6.551 -0.944 -1.639 119 HG23 THR 20 3HG2 THR 20 5.881 -2.556 -1.886 120 H CYS 21 H CYS 21 3.586 -4.185 0.999 121 HA CYS 21 HA CYS 21 3.466 -3.382 3.825 122 HB2 CYS 21 1HB CYS 21 1.207 -3.260 2.785 123 HB3 CYS 21 2HB CYS 21 1.332 -4.968 2.382 124 HG CYS 21 HG CYS 21 1.935 -5.044 5.474 125 H GLY 22 H GLY 22 4.969 -4.612 4.770 126 HA2 GLY 22 1HA GLY 22 6.085 -6.479 5.501 127 HA3 GLY 22 2HA GLY 22 4.648 -7.387 5.056 128 H LYS 23 H LYS 23 4.663 -8.627 3.251 129 HA LYS 23 HA LYS 23 7.151 -8.609 1.672 130 HB2 LYS 23 1HB LYS 23 6.697 -11.014 1.241 131 HB3 LYS 23 2HB LYS 23 6.964 -10.653 2.942 132 HG2 LYS 23 1HG LYS 23 5.155 -12.017 3.115 133 HG3 LYS 23 2HG LYS 23 4.334 -10.462 2.959 134 HD2 LYS 23 1HD LYS 23 3.226 -11.912 1.467 135 HD3 LYS 23 2HD LYS 23 4.275 -10.913 0.458 136 HE2 LYS 23 1HE LYS 23 5.975 -12.778 0.611 137 HE3 LYS 23 2HE LYS 23 4.703 -13.763 1.331 138 HZ1 LYS 23 1HZ LYS 23 4.701 -12.554 -1.379 139 HZ2 LYS 23 2HZ LYS 23 3.365 -13.328 -0.689 140 HZ3 LYS 23 3HZ LYS 23 4.782 -14.200 -0.998 141 H ALA 24 H ALA 24 4.228 -7.433 1.435 142 HA ALA 24 HA ALA 24 3.738 -8.363 -1.315 143 HB1 ALA 24 1HB ALA 24 1.984 -8.133 0.811 144 HB2 ALA 24 2HB ALA 24 1.640 -6.715 -0.180 145 HB3 ALA 24 3HB ALA 24 1.553 -8.327 -0.888 146 H LYS 25 H LYS 25 3.618 -6.924 -2.993 147 HA LYS 25 HA LYS 25 4.152 -4.096 -2.379 148 HB2 LYS 25 1HB LYS 25 5.449 -5.736 -4.563 149 HB3 LYS 25 2HB LYS 25 5.653 -4.004 -4.341 150 HG2 LYS 25 1HG LYS 25 6.692 -4.395 -2.171 151 HG3 LYS 25 2HG LYS 25 6.473 -6.134 -2.376 152 HD2 LYS 25 1HD LYS 25 8.714 -5.678 -2.982 153 HD3 LYS 25 2HD LYS 25 7.840 -5.924 -4.495 154 HE2 LYS 25 1HE LYS 25 9.041 -4.028 -4.984 155 HE3 LYS 25 2HE LYS 25 7.535 -3.328 -4.392 156 HZ1 LYS 25 1HZ LYS 25 8.685 -2.271 -2.845 157 HZ2 LYS 25 2HZ LYS 25 10.126 -2.960 -3.398 158 HZ3 LYS 25 3HZ LYS 25 9.221 -3.741 -2.202 159 H GLY 26 H GLY 26 3.007 -2.627 -3.531 160 HA2 GLY 26 1HA GLY 26 1.670 -3.406 -5.992 161 HA3 GLY 26 2HA GLY 26 0.609 -3.052 -4.637 162 H THR 27 H THR 27 -0.271 -1.333 -5.918 163 HA THR 27 HA THR 27 1.267 1.130 -5.612 164 HB THR 27 HB THR 27 -0.012 0.333 -8.235 165 HG1 THR 27 HG1 THR 27 2.366 0.782 -8.803 166 HG21 THR 27 1HG2 THR 27 0.584 2.906 -7.110 167 HG22 THR 27 2HG2 THR 27 -0.145 2.515 -8.668 168 HG23 THR 27 3HG2 THR 27 1.608 2.618 -8.515 169 H LEU 28 H LEU 28 0.040 2.634 -4.695 170 HA LEU 28 HA LEU 28 -2.830 2.230 -4.520 171 HB2 LEU 28 1HB LEU 28 -1.731 2.814 -2.480 172 HB3 LEU 28 2HB LEU 28 -0.943 4.191 -3.227 173 HG LEU 28 HG LEU 28 -3.471 4.948 -3.607 174 HD11 LEU 28 1HD1 LEU 28 -3.923 3.883 -0.922 175 HD12 LEU 28 2HD1 LEU 28 -5.023 4.021 -2.293 176 HD13 LEU 28 3HD1 LEU 28 -3.906 2.660 -2.192 177 HD21 LEU 28 1HD2 LEU 28 -1.389 5.529 -1.754 178 HD22 LEU 28 2HD2 LEU 28 -2.661 6.591 -2.358 179 HD23 LEU 28 3HD2 LEU 28 -2.937 5.620 -0.912 180 H PHE 29 H PHE 29 -4.365 3.447 -5.483 181 HA PHE 29 HA PHE 29 -3.435 5.599 -7.268 182 HB2 PHE 29 1HB PHE 29 -5.754 3.684 -7.576 183 HB3 PHE 29 2HB PHE 29 -5.487 5.075 -8.622 184 HD1 PHE 29 HD2 PHE 29 -3.382 2.307 -7.256 185 HD2 PHE 29 HD1 PHE 29 -4.623 4.531 -10.666 186 HE1 PHE 29 HE2 PHE 29 -1.902 0.949 -8.676 187 HE2 PHE 29 HE1 PHE 29 -3.146 3.176 -12.092 188 HZ PHE 29 HZ PHE 29 -1.782 1.382 -11.097 189 H GLN 30 H GLN 30 -3.780 7.434 -6.147 190 HA GLN 30 HA GLN 30 -5.612 7.995 -4.207 191 HB2 GLN 30 1HB GLN 30 -5.057 10.099 -6.259 192 HB3 GLN 30 2HB GLN 30 -5.122 10.241 -4.507 193 HG2 GLN 30 1HG GLN 30 -3.011 8.747 -4.552 194 HG3 GLN 30 2HG GLN 30 -2.904 9.245 -6.239 195 HE21 GLN 30 1HE2 GLN 30 -2.521 10.176 -2.956 196 HE22 GLN 30 2HE2 GLN 30 -1.884 11.755 -3.247 197 H GLU 31 H GLU 31 -6.155 7.824 -7.652 198 HA GLU 31 HA GLU 31 -8.695 9.096 -7.669 199 HB2 GLU 31 1HB GLU 31 -7.685 9.011 -9.765 200 HB3 GLU 31 2HB GLU 31 -7.205 7.330 -9.576 201 HG2 GLU 31 1HG GLU 31 -9.226 6.527 -10.242 202 HG3 GLU 31 2HG GLU 31 -10.105 7.938 -9.655 203 H LYS 32 H LYS 32 -7.662 5.718 -7.450 204 HA LYS 32 HA LYS 32 -10.407 4.799 -7.227 205 HB2 LYS 32 1HB LYS 32 -7.731 3.480 -7.424 206 HB3 LYS 32 2HB LYS 32 -9.082 2.566 -6.767 207 HG2 LYS 32 1HG LYS 32 -10.210 2.530 -8.766 208 HG3 LYS 32 2HG LYS 32 -9.421 3.993 -9.360 209 HD2 LYS 32 1HD LYS 32 -7.288 2.677 -9.485 210 HD3 LYS 32 2HD LYS 32 -8.234 1.232 -9.118 211 HE2 LYS 32 1HE LYS 32 -8.985 3.032 -11.394 212 HE3 LYS 32 2HE LYS 32 -7.732 1.807 -11.587 213 HZ1 LYS 32 1HZ LYS 32 -10.059 1.135 -12.219 214 HZ2 LYS 32 2HZ LYS 32 -10.438 1.163 -10.571 215 HZ3 LYS 32 3HZ LYS 32 -9.260 0.096 -11.150 216 H LEU 33 H LEU 33 -8.188 6.129 -5.162 217 HA LEU 33 HA LEU 33 -9.019 4.545 -2.844 218 HB2 LEU 33 1HB LEU 33 -6.631 4.996 -3.090 219 HB3 LEU 33 2HB LEU 33 -6.943 6.721 -3.108 220 HG LEU 33 HG LEU 33 -7.889 6.450 -0.769 221 HD11 LEU 33 1HD1 LEU 33 -7.056 4.466 0.468 222 HD12 LEU 33 2HD1 LEU 33 -8.282 4.086 -0.741 223 HD13 LEU 33 3HD1 LEU 33 -6.582 3.754 -1.074 224 HD21 LEU 33 1HD2 LEU 33 -5.597 7.316 -1.383 225 HD22 LEU 33 2HD2 LEU 33 -5.764 6.660 0.245 226 HD23 LEU 33 3HD2 LEU 33 -4.986 5.703 -1.015 227 H LYS 34 H LYS 34 -8.971 7.896 -4.006 228 HA LYS 34 HA LYS 34 -10.148 9.159 -1.845 229 HB2 LYS 34 1HB LYS 34 -10.702 10.938 -3.320 230 HB3 LYS 34 2HB LYS 34 -9.213 10.232 -3.933 231 HG2 LYS 34 1HG LYS 34 -10.641 8.900 -5.529 232 HG3 LYS 34 2HG LYS 34 -11.994 9.916 -5.025 233 HD2 LYS 34 1HD LYS 34 -9.478 11.252 -5.881 234 HD3 LYS 34 2HD LYS 34 -10.497 10.524 -7.125 235 HE2 LYS 34 1HE LYS 34 -11.415 12.612 -7.055 236 HE3 LYS 34 2HE LYS 34 -12.396 11.820 -5.823 237 HZ1 LYS 34 1HZ LYS 34 -11.337 14.088 -5.304 238 HZ2 LYS 34 2HZ LYS 34 -9.909 13.212 -5.075 239 HZ3 LYS 34 3HZ LYS 34 -11.268 12.876 -4.125 240 H GLN 35 H GLN 35 -11.623 7.220 -4.364 241 HA GLN 35 HA GLN 35 -14.308 7.927 -3.892 242 HB2 GLN 35 1HB GLN 35 -13.241 5.289 -4.910 243 HB3 GLN 35 2HB GLN 35 -14.878 5.899 -5.111 244 HG2 GLN 35 1HG GLN 35 -13.728 7.888 -6.301 245 HG3 GLN 35 2HG GLN 35 -12.354 6.792 -6.433 246 HE21 GLN 35 1HE2 GLN 35 -14.781 7.960 -8.141 247 HE22 GLN 35 2HE2 GLN 35 -15.153 6.616 -9.160 248 H GLY 36 H GLY 36 -12.291 5.312 -2.588 249 HA2 GLY 36 1HA GLY 36 -13.487 5.298 -0.065 250 HA3 GLY 36 2HA GLY 36 -14.318 4.096 -1.041 251 H ALA 37 H ALA 37 -11.891 4.515 1.125 252 HA ALA 37 HA ALA 37 -9.686 3.136 0.311 253 HB1 ALA 37 1HB ALA 37 -11.072 3.393 2.923 254 HB2 ALA 37 2HB ALA 37 -9.793 2.187 2.782 255 HB3 ALA 37 3HB ALA 37 -9.446 3.884 2.449 256 H SER 38 H SER 38 -12.834 1.815 1.134 257 HA SER 38 HA SER 38 -12.114 -0.897 1.288 258 HB2 SER 38 1HB SER 38 -14.256 -0.249 2.122 259 HB3 SER 38 2HB SER 38 -14.719 0.457 0.573 260 HG SER 38 HG SER 38 -15.046 -1.512 -0.251 261 H LYS 39 H LYS 39 -12.944 1.169 -1.432 262 HA LYS 39 HA LYS 39 -13.232 -0.832 -3.386 263 HB2 LYS 39 1HB LYS 39 -12.249 2.004 -3.753 264 HB3 LYS 39 2HB LYS 39 -12.884 0.957 -5.016 265 HG2 LYS 39 1HG LYS 39 -14.604 1.495 -2.658 266 HG3 LYS 39 2HG LYS 39 -14.375 2.786 -3.840 267 HD2 LYS 39 1HD LYS 39 -15.150 1.320 -5.620 268 HD3 LYS 39 2HD LYS 39 -15.322 -0.010 -4.472 269 HE2 LYS 39 1HE LYS 39 -16.796 2.605 -4.228 270 HE3 LYS 39 2HE LYS 39 -17.451 1.193 -5.055 271 HZ1 LYS 39 1HZ LYS 39 -18.281 0.774 -3.021 272 HZ2 LYS 39 2HZ LYS 39 -17.104 1.681 -2.212 273 HZ3 LYS 39 3HZ LYS 39 -16.751 0.111 -2.735 274 H LYS 40 H LYS 40 -11.810 -1.834 -4.741 275 HA LYS 40 HA LYS 40 -9.166 -2.230 -3.870 276 HB2 LYS 40 1HB LYS 40 -10.212 -2.794 -6.644 277 HB3 LYS 40 2HB LYS 40 -8.881 -3.596 -5.819 278 HG2 LYS 40 1HG LYS 40 -11.565 -3.703 -4.557 279 HG3 LYS 40 2HG LYS 40 -11.278 -4.685 -5.995 280 HD2 LYS 40 1HD LYS 40 -9.210 -5.557 -4.832 281 HD3 LYS 40 2HD LYS 40 -9.804 -4.765 -3.370 282 HE2 LYS 40 1HE LYS 40 -10.988 -7.062 -4.889 283 HE3 LYS 40 2HE LYS 40 -10.574 -6.960 -3.178 284 HZ1 LYS 40 1HZ LYS 40 -13.017 -6.831 -3.795 285 HZ2 LYS 40 2HZ LYS 40 -12.691 -5.272 -4.365 286 HZ3 LYS 40 3HZ LYS 40 -12.435 -5.647 -2.736 287 H CYS 41 H CYS 41 -7.720 -0.622 -3.856 288 HA CYS 41 HA CYS 41 -7.413 0.974 -6.314 289 HB2 CYS 41 1HB CYS 41 -6.476 2.762 -4.866 290 HB3 CYS 41 2HB CYS 41 -8.154 2.387 -4.492 291 HG CYS 41 HG CYS 41 -7.809 1.782 -2.013 292 H ILE 42 H ILE 42 -5.853 -0.933 -3.858 293 HA ILE 42 HA ILE 42 -3.179 -0.321 -4.758 294 HB ILE 42 HB ILE 42 -4.166 -2.445 -2.850 295 HG12 ILE 42 1HG1 ILE 42 -2.691 0.105 -2.198 296 HG13 ILE 42 2HG1 ILE 42 -4.449 0.018 -2.234 297 HG21 ILE 42 1HG2 ILE 42 -1.409 -1.627 -3.700 298 HG22 ILE 42 2HG2 ILE 42 -1.706 -2.388 -2.139 299 HG23 ILE 42 3HG2 ILE 42 -2.111 -3.242 -3.627 300 HD11 ILE 42 1HD1 ILE 42 -3.361 -0.221 0.022 301 HD12 ILE 42 2HD1 ILE 42 -4.503 -1.489 -0.424 302 HD13 ILE 42 3HD1 ILE 42 -2.768 -1.789 -0.526 303 H GLN 43 H GLN 43 -2.535 -1.063 -6.673 304 HA GLN 43 HA GLN 43 -3.491 -3.654 -7.626 305 HB2 GLN 43 1HB GLN 43 -3.365 -1.424 -9.001 306 HB3 GLN 43 2HB GLN 43 -1.677 -1.872 -9.206 307 HG2 GLN 43 1HG GLN 43 -2.407 -4.037 -10.145 308 HG3 GLN 43 2HG GLN 43 -4.078 -3.489 -10.026 309 HE21 GLN 43 1HE2 GLN 43 -4.517 -3.499 -12.183 310 HE22 GLN 43 2HE2 GLN 43 -3.774 -2.427 -13.315 311 H ASN 44 H ASN 44 -2.312 -5.428 -7.402 312 HA ASN 44 HA ASN 44 0.361 -5.306 -6.365 313 HB2 ASN 44 1HB ASN 44 0.248 -7.726 -6.292 314 HB3 ASN 44 2HB ASN 44 -1.270 -7.061 -5.695 315 HD21 ASN 44 1HD2 ASN 44 -1.567 -9.510 -6.301 316 HD22 ASN 44 2HD2 ASN 44 -2.285 -9.768 -7.851 317 H GLU 45 H GLU 45 1.985 -6.954 -7.413 318 HA GLU 45 HA GLU 45 2.826 -5.854 -9.847 319 HB2 GLU 45 1HB GLU 45 3.596 -8.535 -8.683 320 HB3 GLU 45 2HB GLU 45 4.499 -7.626 -9.887 321 HG2 GLU 45 1HG GLU 45 4.442 -5.774 -8.002 322 HG3 GLU 45 2HG GLU 45 4.251 -7.187 -6.966 323 H ALA 46 H ALA 46 0.644 -8.440 -9.145 324 HA ALA 46 HA ALA 46 0.769 -9.628 -11.767 325 HB1 ALA 46 1HB ALA 46 -1.389 -10.769 -10.862 326 HB2 ALA 46 2HB ALA 46 0.181 -11.193 -10.179 327 HB3 ALA 46 3HB ALA 46 -0.882 -10.078 -9.320 328 H GLY 47 H GLY 47 -0.697 -6.888 -10.457 329 HA2 GLY 47 1HA GLY 47 -1.836 -5.309 -11.820 330 HA3 GLY 47 2HA GLY 47 -2.368 -6.627 -12.854 331 H ASP 48 H ASP 48 -3.047 -8.122 -10.262 332 HA ASP 48 HA ASP 48 -5.802 -7.447 -10.238 333 HB2 ASP 48 1HB ASP 48 -4.104 -9.253 -8.525 334 HB3 ASP 48 2HB ASP 48 -5.823 -9.025 -8.215 335 H TRP 49 H TRP 49 -6.788 -5.866 -9.185 336 HA TRP 49 HA TRP 49 -5.399 -4.188 -7.346 337 HB2 TRP 49 1HB TRP 49 -8.345 -4.285 -8.035 338 HB3 TRP 49 2HB TRP 49 -7.540 -2.986 -7.158 339 HD1 TRP 49 HD1 TRP 49 -7.612 -4.584 -10.672 340 HE1 TRP 49 HE1 TRP 49 -6.861 -2.807 -12.376 341 HE3 TRP 49 HE3 TRP 49 -6.331 -0.843 -7.432 342 HZ2 TRP 49 HZ2 TRP 49 -5.858 -0.168 -12.350 343 HZ3 TRP 49 HZ3 TRP 49 -5.484 1.276 -8.353 344 HH2 TRP 49 HH2 TRP 49 -5.253 1.604 -10.761 345 H LEU 50 H LEU 50 -5.933 -3.778 -5.145 346 HA LEU 50 HA LEU 50 -7.493 -5.845 -3.778 347 HB2 LEU 50 1HB LEU 50 -4.691 -5.054 -2.976 348 HB3 LEU 50 2HB LEU 50 -5.737 -6.152 -2.095 349 HG LEU 50 HG LEU 50 -5.088 -6.803 -4.930 350 HD11 LEU 50 1HD1 LEU 50 -3.164 -6.843 -2.649 351 HD12 LEU 50 2HD1 LEU 50 -3.099 -8.109 -3.875 352 HD13 LEU 50 3HD1 LEU 50 -2.897 -6.421 -4.340 353 HD21 LEU 50 1HD2 LEU 50 -4.961 -8.847 -2.847 354 HD22 LEU 50 2HD2 LEU 50 -6.521 -8.033 -2.951 355 HD23 LEU 50 3HD2 LEU 50 -5.848 -8.832 -4.371 356 H THR 51 H THR 51 -8.507 -5.168 -1.928 357 HA THR 51 HA THR 51 -8.910 -2.372 -1.617 358 HB THR 51 HB THR 51 -10.368 -2.942 0.244 359 HG1 THR 51 HG1 THR 51 -10.448 -5.046 1.041 360 HG21 THR 51 1HG2 THR 51 -10.859 -5.154 -1.704 361 HG22 THR 51 2HG2 THR 51 -10.921 -3.482 -2.261 362 HG23 THR 51 3HG2 THR 51 -12.001 -4.025 -0.977 363 H VAL 52 H VAL 52 -8.287 -0.987 0.021 364 HA VAL 52 HA VAL 52 -5.803 -0.883 0.970 365 HB VAL 52 HB VAL 52 -8.236 -0.113 2.588 366 HG11 VAL 52 1HG1 VAL 52 -5.513 1.116 2.839 367 HG12 VAL 52 2HG1 VAL 52 -6.877 1.198 3.956 368 HG13 VAL 52 3HG1 VAL 52 -5.967 -0.303 3.783 369 HG21 VAL 52 1HG2 VAL 52 -8.270 1.899 1.481 370 HG22 VAL 52 2HG2 VAL 52 -6.566 1.808 1.035 371 HG23 VAL 52 3HG2 VAL 52 -7.755 0.822 0.183 372 H LYS 53 H LYS 53 -8.335 -2.910 2.293 373 HA LYS 53 HA LYS 53 -6.704 -3.759 4.534 374 HB2 LYS 53 1HB LYS 53 -9.142 -3.510 4.789 375 HB3 LYS 53 2HB LYS 53 -9.393 -4.761 3.578 376 HG2 LYS 53 1HG LYS 53 -8.026 -6.271 5.133 377 HG3 LYS 53 2HG LYS 53 -8.308 -5.030 6.357 378 HD2 LYS 53 1HD LYS 53 -10.103 -6.403 6.742 379 HD3 LYS 53 2HD LYS 53 -10.806 -5.289 5.567 380 HE2 LYS 53 1HE LYS 53 -9.983 -7.001 3.812 381 HE3 LYS 53 2HE LYS 53 -9.871 -8.109 5.178 382 HZ1 LYS 53 1HZ LYS 53 -12.362 -6.625 4.894 383 HZ2 LYS 53 2HZ LYS 53 -12.104 -8.222 5.387 384 HZ3 LYS 53 3HZ LYS 53 -12.066 -7.829 3.742 385 H GLU 54 H GLU 54 -8.126 -5.282 1.644 386 HA GLU 54 HA GLU 54 -7.145 -7.829 1.902 387 HB2 GLU 54 1HB GLU 54 -7.741 -6.101 -0.460 388 HB3 GLU 54 2HB GLU 54 -6.942 -7.644 -0.727 389 HG2 GLU 54 1HG GLU 54 -8.847 -8.640 0.675 390 HG3 GLU 54 2HG GLU 54 -9.667 -7.108 0.384 391 H PHE 55 H PHE 55 -5.467 -4.993 0.612 392 HA PHE 55 HA PHE 55 -3.146 -6.220 -0.297 393 HB2 PHE 55 1HB PHE 55 -3.713 -3.845 -0.691 394 HB3 PHE 55 2HB PHE 55 -3.383 -3.498 1.003 395 HD1 PHE 55 HD1 PHE 55 -1.615 -5.373 -1.699 396 HD2 PHE 55 HD2 PHE 55 -1.425 -2.356 1.297 397 HE1 PHE 55 HE1 PHE 55 0.753 -4.984 -2.246 398 HE2 PHE 55 HE2 PHE 55 0.942 -1.961 0.755 399 HZ PHE 55 HZ PHE 55 2.034 -3.275 -1.019 400 H LEU 56 H LEU 56 -3.949 -5.046 2.947 401 HA LEU 56 HA LEU 56 -1.450 -5.546 4.133 402 HB2 LEU 56 1HB LEU 56 -4.097 -5.735 5.555 403 HB3 LEU 56 2HB LEU 56 -2.543 -5.280 6.229 404 HG LEU 56 HG LEU 56 -4.092 -3.639 4.223 405 HD11 LEU 56 1HD1 LEU 56 -4.306 -2.100 6.249 406 HD12 LEU 56 2HD1 LEU 56 -5.342 -3.527 6.194 407 HD13 LEU 56 3HD1 LEU 56 -3.903 -3.521 7.213 408 HD21 LEU 56 1HD2 LEU 56 -2.024 -2.808 3.885 409 HD22 LEU 56 2HD2 LEU 56 -2.347 -1.954 5.394 410 HD23 LEU 56 3HD2 LEU 56 -1.403 -3.443 5.409 411 H ASN 57 H ASN 57 -4.408 -7.526 4.060 412 HA ASN 57 HA ASN 57 -3.542 -9.691 5.533 413 HB2 ASN 57 1HB ASN 57 -5.514 -9.344 3.321 414 HB3 ASN 57 2HB ASN 57 -5.086 -10.985 3.797 415 HD21 ASN 57 1HD2 ASN 57 -6.811 -8.146 4.602 416 HD22 ASN 57 2HD2 ASN 57 -7.519 -8.719 6.070 417 H GLU 58 H GLU 58 -2.941 -8.944 2.140 418 HA GLU 58 HA GLU 58 -1.850 -11.353 1.299 419 HB2 GLU 58 1HB GLU 58 -1.552 -8.513 0.468 420 HB3 GLU 58 2HB GLU 58 -0.364 -9.658 -0.137 421 HG2 GLU 58 1HG GLU 58 -3.347 -9.781 -0.508 422 HG3 GLU 58 2HG GLU 58 -2.134 -9.424 -1.737 423 H GLY 59 H GLY 59 -0.376 -8.719 3.116 424 HA2 GLY 59 1HA GLY 59 2.241 -9.981 3.051 425 HA3 GLY 59 2HA GLY 59 1.829 -8.470 3.848 426 H GLY 60 H GLY 60 -0.388 -9.495 5.356 427 HA2 GLY 60 1HA GLY 60 -0.707 -11.319 6.980 428 HA3 GLY 60 2HA GLY 60 1.037 -11.318 7.196 429 H ARG 61 H ARG 61 -0.658 -8.309 6.879 430 HA ARG 61 HA ARG 61 -0.282 -7.839 9.764 431 HB2 ARG 61 1HB ARG 61 0.326 -6.158 7.383 432 HB3 ARG 61 2HB ARG 61 -0.239 -5.342 8.835 433 HG2 ARG 61 1HG ARG 61 1.600 -6.132 10.103 434 HG3 ARG 61 2HG ARG 61 2.081 -7.251 8.826 435 HD2 ARG 61 1HD ARG 61 2.546 -5.320 7.359 436 HD3 ARG 61 2HD ARG 61 2.141 -4.238 8.691 437 HE ARG 61 HE ARG 61 4.564 -5.784 8.373 438 HH11 ARG 61 1HH1 ARG 61 2.520 -3.988 10.544 439 HH12 ARG 61 2HH1 ARG 61 3.786 -3.674 11.685 440 HH21 ARG 61 1HH2 ARG 61 6.239 -5.378 9.866 441 HH22 ARG 61 2HH2 ARG 61 5.901 -4.465 11.298 442 H ALA 62 H ALA 62 -2.639 -8.731 8.014 443 HA ALA 62 HA ALA 62 -4.600 -6.835 7.758 444 HB1 ALA 62 1HB ALA 62 -5.589 -9.343 8.902 445 HB2 ALA 62 2HB ALA 62 -5.968 -8.567 7.363 446 HB3 ALA 62 3HB ALA 62 -4.509 -9.546 7.521 447 H THR 63 H THR 63 -3.751 -8.648 10.689 448 HA THR 63 HA THR 63 -5.706 -7.884 12.425 449 HB THR 63 HB THR 63 -3.949 -9.379 13.139 450 HG1 THR 63 HG1 THR 63 -4.368 -8.692 15.087 451 HG21 THR 63 1HG2 THR 63 -1.777 -7.900 13.881 452 HG22 THR 63 2HG2 THR 63 -2.229 -7.133 12.359 453 HG23 THR 63 3HG2 THR 63 -1.884 -8.862 12.407 454 H SER 64 H SER 64 -3.280 -5.874 11.005 455 HA SER 64 HA SER 64 -3.350 -3.754 12.890 456 HB2 SER 64 1HB SER 64 -1.670 -4.283 10.918 457 HB3 SER 64 2HB SER 64 -2.756 -3.236 10.004 458 HG SER 64 HG SER 64 -1.298 -2.604 12.350 459 H LYS 65 H LYS 65 -4.482 -1.828 12.878 460 HA LYS 65 HA LYS 65 -7.014 -1.907 11.422 461 HB2 LYS 65 1HB LYS 65 -6.792 -1.491 13.955 462 HB3 LYS 65 2HB LYS 65 -6.246 0.121 13.509 463 HG2 LYS 65 1HG LYS 65 -8.477 0.495 13.826 464 HG3 LYS 65 2HG LYS 65 -8.450 0.144 12.096 465 HD2 LYS 65 1HD LYS 65 -10.155 -1.235 12.730 466 HD3 LYS 65 2HD LYS 65 -8.794 -2.334 12.970 467 HE2 LYS 65 1HE LYS 65 -9.738 -0.570 15.197 468 HE3 LYS 65 2HE LYS 65 -10.574 -2.080 14.839 469 HZ1 LYS 65 1HZ LYS 65 -7.720 -1.758 15.586 470 HZ2 LYS 65 2HZ LYS 65 -8.404 -3.217 15.073 471 HZ3 LYS 65 3HZ LYS 65 -8.938 -2.491 16.504 472 H ASP 66 H ASP 66 -4.291 0.295 12.007 473 HA ASP 66 HA ASP 66 -5.265 2.146 9.993 474 HB2 ASP 66 1HB ASP 66 -2.809 2.177 11.756 475 HB3 ASP 66 2HB ASP 66 -3.202 3.442 10.594 476 H TRP 67 H TRP 67 -4.889 1.773 7.918 477 HA TRP 67 HA TRP 67 -2.801 -0.015 7.060 478 HB2 TRP 67 1HB TRP 67 -3.666 0.545 4.765 479 HB3 TRP 67 2HB TRP 67 -4.875 -0.114 5.864 480 HD1 TRP 67 HD1 TRP 67 -6.721 1.635 6.832 481 HE1 TRP 67 HE1 TRP 67 -7.632 3.826 5.836 482 HE3 TRP 67 HE3 TRP 67 -3.056 2.546 3.386 483 HZ2 TRP 67 HZ2 TRP 67 -6.896 5.693 3.851 484 HZ3 TRP 67 HZ3 TRP 67 -3.234 4.555 1.978 485 HH2 TRP 67 HH2 TRP 67 -5.116 6.095 2.207 486 H LYS 68 H LYS 68 -3.289 3.425 7.261 487 HA LYS 68 HA LYS 68 -1.287 4.248 5.452 488 HB2 LYS 68 1HB LYS 68 -2.407 5.632 7.895 489 HB3 LYS 68 2HB LYS 68 -1.367 6.403 6.705 490 HG2 LYS 68 1HG LYS 68 -3.008 6.264 5.026 491 HG3 LYS 68 2HG LYS 68 -3.978 5.123 5.961 492 HD2 LYS 68 1HD LYS 68 -4.117 7.042 7.696 493 HD3 LYS 68 2HD LYS 68 -3.623 8.073 6.352 494 HE2 LYS 68 1HE LYS 68 -5.539 7.395 5.064 495 HE3 LYS 68 2HE LYS 68 -5.988 6.204 6.283 496 HZ1 LYS 68 1HZ LYS 68 -7.356 7.916 6.848 497 HZ2 LYS 68 2HZ LYS 68 -6.283 9.117 6.333 498 HZ3 LYS 68 3HZ LYS 68 -6.018 8.320 7.802 499 H GLY 69 H GLY 69 -1.125 2.883 8.596 500 HA2 GLY 69 1HA GLY 69 1.575 3.886 9.084 501 HA3 GLY 69 2HA GLY 69 0.609 2.920 10.189 502 H VAL 70 H VAL 70 -0.069 0.803 8.490 503 HA VAL 70 HA VAL 70 2.290 -0.777 8.679 504 HB VAL 70 HB VAL 70 0.950 -2.565 7.640 505 HG11 VAL 70 1HG1 VAL 70 -0.395 -0.997 9.834 506 HG12 VAL 70 2HG1 VAL 70 -0.839 -2.643 9.379 507 HG13 VAL 70 3HG1 VAL 70 0.772 -2.306 10.012 508 HG21 VAL 70 1HG2 VAL 70 -0.811 -0.274 6.993 509 HG22 VAL 70 2HG2 VAL 70 -0.479 -1.744 6.077 510 HG23 VAL 70 3HG2 VAL 70 -1.596 -1.788 7.441 511 H ILE 71 H ILE 71 0.500 0.642 5.974 512 HA ILE 71 HA ILE 71 2.292 -0.454 4.003 513 HB ILE 71 HB ILE 71 0.164 1.669 3.707 514 HG12 ILE 71 1HG1 ILE 71 0.053 -1.266 2.990 515 HG13 ILE 71 2HG1 ILE 71 -0.634 -0.586 4.461 516 HG21 ILE 71 1HG2 ILE 71 1.005 0.055 1.394 517 HG22 ILE 71 2HG2 ILE 71 0.581 1.763 1.495 518 HG23 ILE 71 3HG2 ILE 71 2.188 1.224 1.982 519 HD11 ILE 71 1HD1 ILE 71 -2.430 -0.777 2.990 520 HD12 ILE 71 2HD1 ILE 71 -1.983 0.928 2.918 521 HD13 ILE 71 3HD1 ILE 71 -1.495 -0.168 1.625 522 H ARG 72 H ARG 72 4.132 0.409 3.303 523 HA ARG 72 HA ARG 72 4.703 3.217 3.991 524 HB2 ARG 72 1HB ARG 72 6.689 0.972 3.599 525 HB3 ARG 72 2HB ARG 72 7.060 2.620 4.088 526 HG2 ARG 72 1HG ARG 72 5.774 2.277 6.154 527 HG3 ARG 72 2HG ARG 72 5.471 0.608 5.666 528 HD2 ARG 72 1HD ARG 72 8.276 1.623 5.793 529 HD3 ARG 72 2HD ARG 72 7.445 1.178 7.283 530 HE ARG 72 HE ARG 72 7.372 -0.812 5.185 531 HH11 ARG 72 1HH1 ARG 72 9.010 0.382 8.016 532 HH12 ARG 72 2HH1 ARG 72 9.783 -1.129 8.365 533 HH21 ARG 72 1HH2 ARG 72 8.384 -2.806 5.635 534 HH22 ARG 72 2HH2 ARG 72 9.427 -2.941 7.010 535 H CYS 73 H CYS 73 5.260 4.591 2.403 536 HA CYS 73 HA CYS 73 5.568 3.472 -0.304 537 HB2 CYS 73 1HB CYS 73 3.554 4.758 -0.209 538 HB3 CYS 73 2HB CYS 73 4.364 6.081 0.622 539 HG CYS 73 HG CYS 73 3.801 6.948 -1.949 540 H ASN 74 H ASN 74 7.622 3.504 -0.922 541 HA ASN 74 HA ASN 74 9.728 4.229 -1.385 542 HB2 ASN 74 1HB ASN 74 8.575 6.954 -0.745 543 HB3 ASN 74 2HB ASN 74 10.124 6.662 -1.530 544 HD21 ASN 74 1HD2 ASN 74 9.994 5.312 -3.541 545 HD22 ASN 74 2HD2 ASN 74 8.678 5.631 -4.613 546 H GLY 75 H GLY 75 8.996 3.388 1.294 547 HA2 GLY 75 1HA GLY 75 10.343 3.063 3.176 548 HA3 GLY 75 2HA GLY 75 11.339 4.419 2.668 549 H GLU 76 H GLU 76 8.462 5.736 2.372 550 HA GLU 76 HA GLU 76 8.358 6.600 5.187 551 HB2 GLU 76 1HB GLU 76 7.833 8.125 2.639 552 HB3 GLU 76 2HB GLU 76 7.333 8.718 4.217 553 HG2 GLU 76 1HG GLU 76 9.337 9.780 3.974 554 HG3 GLU 76 2HG GLU 76 9.840 8.325 4.833 555 H THR 77 H THR 77 6.536 6.244 6.269 556 HA THR 77 HA THR 77 4.408 4.764 5.223 557 HB THR 77 HB THR 77 3.197 5.322 7.304 558 HG1 THR 77 HG1 THR 77 5.395 6.796 8.230 559 HG21 THR 77 1HG2 THR 77 4.925 4.457 8.893 560 HG22 THR 77 2HG2 THR 77 6.117 4.622 7.604 561 HG23 THR 77 3HG2 THR 77 4.763 3.508 7.416 562 H LEU 78 H LEU 78 2.380 5.287 4.496 563 HA LEU 78 HA LEU 78 1.941 7.467 2.941 564 HB2 LEU 78 1HB LEU 78 -0.217 6.128 4.572 565 HB3 LEU 78 2HB LEU 78 -0.429 7.000 3.065 566 HG LEU 78 HG LEU 78 1.139 4.435 3.341 567 HD11 LEU 78 1HD1 LEU 78 -1.136 4.039 1.765 568 HD12 LEU 78 2HD1 LEU 78 -0.810 3.380 3.368 569 HD13 LEU 78 3HD1 LEU 78 -1.692 4.897 3.202 570 HD21 LEU 78 1HD2 LEU 78 1.405 6.300 1.413 571 HD22 LEU 78 2HD2 LEU 78 1.620 4.572 1.144 572 HD23 LEU 78 3HD2 LEU 78 0.085 5.341 0.745 573 H ARG 79 H ARG 79 1.035 7.167 6.365 574 HA ARG 79 HA ARG 79 -0.227 9.593 6.728 575 HB2 ARG 79 1HB ARG 79 -0.219 7.974 8.493 576 HB3 ARG 79 2HB ARG 79 1.535 8.025 8.610 577 HG2 ARG 79 1HG ARG 79 0.050 10.550 9.065 578 HG3 ARG 79 2HG ARG 79 -0.030 9.305 10.312 579 HD2 ARG 79 1HD ARG 79 2.556 10.298 9.135 580 HD3 ARG 79 2HD ARG 79 1.814 11.010 10.567 581 HE ARG 79 HE ARG 79 3.157 8.455 10.384 582 HH11 ARG 79 1HH1 ARG 79 1.007 10.492 12.214 583 HH12 ARG 79 2HH1 ARG 79 1.283 9.662 13.710 584 HH21 ARG 79 1HH2 ARG 79 3.528 7.354 12.347 585 HH22 ARG 79 2HH2 ARG 79 2.718 7.878 13.784 586 H HIS 80 H HIS 80 3.238 8.879 6.809 587 HA HIS 80 HA HIS 80 4.129 11.409 7.625 588 HB2 HIS 80 1HB HIS 80 5.467 9.239 7.457 589 HB3 HIS 80 2HB HIS 80 5.642 9.603 5.743 590 HD1 HIS 80 HD1 HIS 80 6.956 10.484 9.077 591 HD2 HIS 80 HD2 HIS 80 7.226 11.920 5.188 592 HE1 HIS 80 HE1 HIS 80 8.906 12.071 9.080 593 HE2 HIS 80 HE2 HIS 80 8.997 12.992 6.738 594 H LEU 81 H LEU 81 3.800 10.056 4.347 595 HA LEU 81 HA LEU 81 4.624 12.336 2.951 596 HB2 LEU 81 1HB LEU 81 2.632 10.245 2.069 597 HB3 LEU 81 2HB LEU 81 3.493 11.354 1.017 598 HG LEU 81 HG LEU 81 4.920 9.346 2.750 599 HD11 LEU 81 1HD1 LEU 81 3.423 8.110 1.302 600 HD12 LEU 81 2HD1 LEU 81 3.982 9.027 -0.097 601 HD13 LEU 81 3HD1 LEU 81 5.087 7.939 0.743 602 HD21 LEU 81 1HD2 LEU 81 6.370 9.837 0.459 603 HD22 LEU 81 2HD2 LEU 81 5.693 11.415 0.859 604 HD23 LEU 81 3HD2 LEU 81 6.664 10.546 2.047 605 H GLU 82 H GLU 82 1.410 11.325 4.038 606 HA GLU 82 HA GLU 82 -0.108 13.301 2.798 607 HB2 GLU 82 1HB GLU 82 -1.135 11.398 3.905 608 HB3 GLU 82 2HB GLU 82 -0.540 11.947 5.465 609 HG2 GLU 82 1HG GLU 82 -1.908 14.074 4.999 610 HG3 GLU 82 2HG GLU 82 -2.717 13.100 3.772 611 H GLN 83 H GLN 83 1.556 13.351 5.925 612 HA GLN 83 HA GLN 83 0.646 15.817 6.845 613 HB2 GLN 83 1HB GLN 83 3.248 14.363 7.298 614 HB3 GLN 83 2HB GLN 83 2.844 15.862 8.124 615 HG2 GLN 83 1HG GLN 83 0.844 14.780 9.060 616 HG3 GLN 83 2HG GLN 83 1.318 13.273 8.277 617 HE21 GLN 83 1HE2 GLN 83 0.931 13.375 10.978 618 HE22 GLN 83 2HE2 GLN 83 2.444 13.198 11.793 619 H LYS 84 H LYS 84 3.222 15.029 4.592 620 HA LYS 84 HA LYS 84 4.137 17.770 4.432 621 HB2 LYS 84 1HB LYS 84 4.890 15.266 2.922 622 HB3 LYS 84 2HB LYS 84 5.599 16.841 2.590 623 HG2 LYS 84 1HG LYS 84 6.783 16.878 4.552 624 HG3 LYS 84 2HG LYS 84 5.662 15.791 5.376 625 HD2 LYS 84 1HD LYS 84 7.569 14.484 5.026 626 HD3 LYS 84 2HD LYS 84 6.481 14.009 3.720 627 HE2 LYS 84 1HE LYS 84 8.572 14.290 2.693 628 HE3 LYS 84 2HE LYS 84 7.678 15.760 2.309 629 HZ1 LYS 84 1HZ LYS 84 8.829 16.857 4.162 630 HZ2 LYS 84 2HZ LYS 84 9.905 16.310 2.978 631 HZ3 LYS 84 3HZ LYS 84 9.737 15.455 4.427 632 H GLY 85 H GLY 85 1.366 16.651 3.530 633 HA2 GLY 85 1HA GLY 85 -0.182 17.224 1.935 634 HA3 GLY 85 2HA GLY 85 0.889 18.555 1.523 635 H LEU 86 H LEU 86 1.760 15.157 1.317 636 HA LEU 86 HA LEU 86 2.024 15.488 -1.594 637 HB2 LEU 86 1HB LEU 86 3.360 13.389 0.104 638 HB3 LEU 86 2HB LEU 86 3.743 13.834 -1.548 639 HG LEU 86 HG LEU 86 4.081 15.749 0.751 640 HD11 LEU 86 1HD1 LEU 86 6.388 14.280 -0.424 641 HD12 LEU 86 2HD1 LEU 86 6.209 15.020 1.167 642 HD13 LEU 86 3HD1 LEU 86 5.412 13.488 0.813 643 HD21 LEU 86 1HD2 LEU 86 4.903 15.672 -2.126 644 HD22 LEU 86 2HD2 LEU 86 4.118 16.966 -1.221 645 HD23 LEU 86 3HD2 LEU 86 5.824 16.613 -0.953 646 H LEU 87 H LEU 87 0.714 13.452 0.938 647 HA LEU 87 HA LEU 87 -0.658 11.855 -1.125 648 HB2 LEU 87 1HB LEU 87 1.073 10.800 0.571 649 HB3 LEU 87 2HB LEU 87 -0.305 10.834 1.655 650 HG LEU 87 HG LEU 87 -0.557 9.577 -1.054 651 HD11 LEU 87 1HD1 LEU 87 1.108 8.179 -0.480 652 HD12 LEU 87 2HD1 LEU 87 1.017 8.603 1.229 653 HD13 LEU 87 3HD1 LEU 87 -0.125 7.447 0.546 654 HD21 LEU 87 1HD2 LEU 87 -1.867 8.359 1.237 655 HD22 LEU 87 2HD2 LEU 87 -2.324 10.047 1.009 656 HD23 LEU 87 3HD2 LEU 87 -2.541 8.889 -0.304 657 H PHE 88 H PHE 88 -2.656 12.651 -1.300 658 HA PHE 88 HA PHE 88 -4.070 14.105 0.585 659 HB2 PHE 88 1HB PHE 88 -5.910 13.947 -0.837 660 HB3 PHE 88 2HB PHE 88 -4.558 13.677 -1.931 661 HD1 PHE 88 HD1 PHE 88 -3.836 10.997 -1.809 662 HD2 PHE 88 HD2 PHE 88 -7.727 12.655 -1.330 663 HE1 PHE 88 HE1 PHE 88 -4.831 8.859 -2.512 664 HE2 PHE 88 HE2 PHE 88 -8.727 10.520 -2.032 665 HZ PHE 88 HZ PHE 88 -7.279 8.618 -2.623 666 H SER 89 H SER 89 -3.891 10.626 0.114 667 HA SER 89 HA SER 89 -4.703 8.861 1.306 668 HB2 SER 89 1HB SER 89 -3.212 10.238 2.983 669 HB3 SER 89 2HB SER 89 -4.756 10.564 3.770 670 HG SER 89 HG SER 89 -3.506 8.612 4.433 671 H GLY 90 H GLY 90 -6.698 10.244 0.006 672 HA2 GLY 90 1HA GLY 90 -8.995 10.300 -0.065 673 HA3 GLY 90 2HA GLY 90 -8.996 9.405 1.447 674 HA PRO 91 HA PRO 91 -10.719 13.635 2.253 675 HB2 PRO 91 1HB PRO 91 -12.849 12.752 3.686 676 HB3 PRO 91 2HB PRO 91 -12.873 12.905 1.925 677 HG2 PRO 91 1HG PRO 91 -12.442 10.468 3.609 678 HG3 PRO 91 2HG PRO 91 -13.423 10.656 2.144 679 HD2 PRO 91 1HD PRO 91 -10.954 9.546 2.111 680 HD3 PRO 91 2HD PRO 91 -11.598 10.484 0.748 681 H SER 92 H SER 92 -11.261 14.592 4.420 682 HA SER 92 HA SER 92 -9.744 13.252 6.562 683 HB2 SER 92 1HB SER 92 -9.664 16.078 5.590 684 HB3 SER 92 2HB SER 92 -9.400 15.769 7.306 685 HG SER 92 HG SER 92 -7.473 15.762 5.953 686 H SER 93 H SER 93 -11.215 12.525 7.961 687 HA SER 93 HA SER 93 -13.742 13.798 8.374 688 HB2 SER 93 1HB SER 93 -12.325 11.463 9.629 689 HB3 SER 93 2HB SER 93 -13.806 12.097 10.346 690 HG SER 93 HG SER 93 -14.193 11.846 7.730 691 H GLY 94 H GLY 94 -10.800 13.440 10.343 692 HA2 GLY 94 1HA GLY 94 -9.946 14.800 11.993 693 HA3 GLY 94 2HA GLY 94 -11.135 16.009 11.531 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 9.367 -3.226 -26.337 2 HA2 GLY 1 1HA GLY 1 8.845 -1.118 -24.419 3 HA3 GLY 1 2HA GLY 1 10.039 -2.399 -24.267 4 H SER 2 H SER 2 9.404 0.440 -26.331 5 HA SER 2 HA SER 2 12.122 1.368 -25.819 6 HB2 SER 2 1HB SER 2 11.044 0.984 -28.623 7 HB3 SER 2 2HB SER 2 12.598 1.703 -28.201 8 HG SER 2 HG SER 2 13.373 -0.236 -28.117 9 H SER 3 H SER 3 12.253 3.531 -25.658 10 HA SER 3 HA SER 3 9.924 5.093 -25.510 11 HB2 SER 3 1HB SER 3 11.389 6.970 -25.118 12 HB3 SER 3 2HB SER 3 12.078 5.561 -24.311 13 HG SER 3 HG SER 3 13.038 5.616 -26.775 14 H GLY 4 H GLY 4 9.024 6.611 -26.866 15 HA2 GLY 4 1HA GLY 4 10.212 6.926 -29.536 16 HA3 GLY 4 2HA GLY 4 8.554 6.358 -29.405 17 H SER 5 H SER 5 7.220 7.831 -27.816 18 HA SER 5 HA SER 5 7.875 10.649 -28.333 19 HB2 SER 5 1HB SER 5 5.198 9.326 -28.834 20 HB3 SER 5 2HB SER 5 5.479 11.067 -28.878 21 HG SER 5 HG SER 5 6.078 9.143 -30.737 22 H SER 6 H SER 6 7.402 12.039 -26.706 23 HA SER 6 HA SER 6 6.073 10.903 -24.332 24 HB2 SER 6 1HB SER 6 8.457 12.730 -24.561 25 HB3 SER 6 2HB SER 6 7.509 12.639 -23.076 26 HG SER 6 HG SER 6 9.434 11.158 -23.433 27 H GLY 7 H GLY 7 4.277 11.895 -23.691 28 HA2 GLY 7 1HA GLY 7 3.955 14.754 -23.947 29 HA3 GLY 7 2HA GLY 7 2.906 13.824 -25.006 30 H ASN 8 H ASN 8 3.949 13.055 -21.709 31 HA ASN 8 HA ASN 8 1.203 12.576 -20.947 32 HB2 ASN 8 1HB ASN 8 3.851 12.242 -19.547 33 HB3 ASN 8 2HB ASN 8 2.323 12.031 -18.696 34 HD21 ASN 8 1HD2 ASN 8 0.922 10.347 -19.351 35 HD22 ASN 8 2HD2 ASN 8 1.531 8.967 -20.193 36 H ASP 9 H ASP 9 0.233 13.520 -19.033 37 HA ASP 9 HA ASP 9 1.100 16.306 -18.623 38 HB2 ASP 9 1HB ASP 9 -1.601 15.049 -18.860 39 HB3 ASP 9 2HB ASP 9 -1.421 16.473 -17.839 40 H ALA 10 H ALA 10 1.191 17.139 -16.557 41 HA ALA 10 HA ALA 10 1.586 17.109 -14.315 42 HB1 ALA 10 1HB ALA 10 -0.961 16.494 -14.579 43 HB2 ALA 10 2HB ALA 10 -0.423 14.951 -13.914 44 HB3 ALA 10 3HB ALA 10 -0.166 16.441 -13.005 45 H VAL 11 H VAL 11 3.293 15.491 -15.835 46 HA VAL 11 HA VAL 11 3.592 12.874 -14.833 47 HB VAL 11 HB VAL 11 4.675 13.576 -16.901 48 HG11 VAL 11 1HG1 VAL 11 6.179 15.269 -17.102 49 HG12 VAL 11 2HG1 VAL 11 5.280 15.880 -15.712 50 HG13 VAL 11 3HG1 VAL 11 6.816 15.046 -15.473 51 HG21 VAL 11 1HG2 VAL 11 6.702 12.801 -14.805 52 HG22 VAL 11 2HG2 VAL 11 5.609 11.689 -15.628 53 HG23 VAL 11 3HG2 VAL 11 6.847 12.548 -16.544 54 H ASP 12 H ASP 12 4.968 15.971 -13.824 55 HA ASP 12 HA ASP 12 6.875 15.238 -12.029 56 HB2 ASP 12 1HB ASP 12 6.663 17.339 -11.064 57 HB3 ASP 12 2HB ASP 12 5.908 17.588 -12.635 58 H PHE 13 H PHE 13 3.464 14.732 -11.762 59 HA PHE 13 HA PHE 13 3.864 13.115 -9.398 60 HB2 PHE 13 1HB PHE 13 3.470 15.142 -8.242 61 HB3 PHE 13 2HB PHE 13 2.203 15.628 -9.364 62 HD1 PHE 13 HD1 PHE 13 3.042 13.242 -6.668 63 HD2 PHE 13 HD2 PHE 13 -0.039 15.035 -8.994 64 HE1 PHE 13 HE1 PHE 13 1.350 12.279 -5.163 65 HE2 PHE 13 HE2 PHE 13 -1.736 14.076 -7.493 66 HZ PHE 13 HZ PHE 13 -1.042 12.696 -5.574 67 H SER 14 H SER 14 3.074 11.301 -10.300 68 HA SER 14 HA SER 14 0.696 11.345 -11.942 69 HB2 SER 14 1HB SER 14 2.586 9.176 -11.049 70 HB3 SER 14 2HB SER 14 1.080 8.795 -11.882 71 HG SER 14 HG SER 14 2.473 9.023 -13.513 72 HA PRO 15 HA PRO 15 -2.317 10.406 -8.895 73 HB2 PRO 15 1HB PRO 15 -3.969 8.734 -10.253 74 HB3 PRO 15 2HB PRO 15 -3.878 10.469 -10.579 75 HG2 PRO 15 1HG PRO 15 -2.587 8.196 -12.039 76 HG3 PRO 15 2HG PRO 15 -3.395 9.632 -12.695 77 HD2 PRO 15 1HD PRO 15 -0.701 9.424 -12.531 78 HD3 PRO 15 2HD PRO 15 -1.550 10.975 -12.368 79 H THR 16 H THR 16 -0.046 8.213 -9.806 80 HA THR 16 HA THR 16 -1.117 6.136 -8.008 81 HB THR 16 HB THR 16 0.277 4.499 -9.216 82 HG1 THR 16 HG1 THR 16 0.690 6.009 -11.443 83 HG21 THR 16 1HG2 THR 16 -2.080 4.861 -9.868 84 HG22 THR 16 2HG2 THR 16 -1.076 4.354 -11.227 85 HG23 THR 16 3HG2 THR 16 -1.548 6.045 -11.061 86 H LEU 17 H LEU 17 0.197 5.330 -6.415 87 HA LEU 17 HA LEU 17 2.912 6.436 -6.208 88 HB2 LEU 17 1HB LEU 17 1.033 6.201 -3.862 89 HB3 LEU 17 2HB LEU 17 2.622 6.944 -3.886 90 HG LEU 17 HG LEU 17 0.279 8.006 -5.460 91 HD11 LEU 17 1HD1 LEU 17 0.188 7.942 -2.820 92 HD12 LEU 17 2HD1 LEU 17 1.249 9.340 -2.992 93 HD13 LEU 17 3HD1 LEU 17 -0.350 9.352 -3.733 94 HD21 LEU 17 1HD2 LEU 17 2.581 9.658 -4.587 95 HD22 LEU 17 2HD2 LEU 17 2.851 8.512 -5.900 96 HD23 LEU 17 3HD2 LEU 17 1.607 9.752 -6.054 97 HA PRO 18 HA PRO 18 4.017 2.241 -5.428 98 HB2 PRO 18 1HB PRO 18 6.464 2.670 -4.334 99 HB3 PRO 18 2HB PRO 18 6.140 2.848 -6.062 100 HG2 PRO 18 1HG PRO 18 6.312 4.953 -3.941 101 HG3 PRO 18 2HG PRO 18 6.974 4.966 -5.586 102 HD2 PRO 18 1HD PRO 18 4.685 6.253 -4.927 103 HD3 PRO 18 2HD PRO 18 4.952 5.539 -6.531 104 H VAL 19 H VAL 19 2.991 1.168 -3.852 105 HA VAL 19 HA VAL 19 3.512 1.956 -1.059 106 HB VAL 19 HB VAL 19 1.358 0.943 -0.468 107 HG11 VAL 19 1HG1 VAL 19 -0.097 2.597 -1.826 108 HG12 VAL 19 2HG1 VAL 19 1.161 3.236 -0.767 109 HG13 VAL 19 3HG1 VAL 19 1.439 3.134 -2.506 110 HG21 VAL 19 1HG2 VAL 19 1.216 -0.721 -2.234 111 HG22 VAL 19 2HG2 VAL 19 -0.226 0.294 -2.230 112 HG23 VAL 19 3HG2 VAL 19 1.029 0.551 -3.442 113 H THR 20 H THR 20 3.745 0.286 0.497 114 HA THR 20 HA THR 20 4.058 -2.445 -0.466 115 HB THR 20 HB THR 20 6.312 -2.639 0.623 116 HG1 THR 20 HG1 THR 20 6.765 0.080 0.342 117 HG21 THR 20 1HG2 THR 20 7.546 -1.621 -1.251 118 HG22 THR 20 2HG2 THR 20 6.093 -0.732 -1.710 119 HG23 THR 20 3HG2 THR 20 6.115 -2.493 -1.800 120 H CYS 21 H CYS 21 3.359 -3.864 1.002 121 HA CYS 21 HA CYS 21 3.253 -3.027 3.822 122 HB2 CYS 21 1HB CYS 21 1.011 -2.906 2.729 123 HB3 CYS 21 2HB CYS 21 1.123 -4.629 2.394 124 HG CYS 21 HG CYS 21 1.688 -4.260 5.572 125 H GLY 22 H GLY 22 4.747 -4.254 4.792 126 HA2 GLY 22 1HA GLY 22 5.874 -6.112 5.531 127 HA3 GLY 22 2HA GLY 22 4.394 -6.997 5.188 128 H LYS 23 H LYS 23 4.448 -8.487 3.633 129 HA LYS 23 HA LYS 23 6.834 -8.585 1.923 130 HB2 LYS 23 1HB LYS 23 6.305 -10.964 1.622 131 HB3 LYS 23 2HB LYS 23 6.479 -10.553 3.323 132 HG2 LYS 23 1HG LYS 23 4.185 -10.722 3.721 133 HG3 LYS 23 2HG LYS 23 3.790 -10.633 2.003 134 HD2 LYS 23 1HD LYS 23 3.527 -12.883 2.396 135 HD3 LYS 23 2HD LYS 23 5.213 -12.831 1.876 136 HE2 LYS 23 1HE LYS 23 5.979 -12.923 4.143 137 HE3 LYS 23 2HE LYS 23 4.338 -12.733 4.759 138 HZ1 LYS 23 1HZ LYS 23 5.548 -15.082 3.441 139 HZ2 LYS 23 2HZ LYS 23 3.869 -14.887 3.505 140 HZ3 LYS 23 3HZ LYS 23 4.762 -14.996 4.938 141 H ALA 24 H ALA 24 4.189 -7.070 1.570 142 HA ALA 24 HA ALA 24 3.517 -8.148 -1.091 143 HB1 ALA 24 1HB ALA 24 1.387 -8.060 -0.485 144 HB2 ALA 24 2HB ALA 24 1.841 -7.406 1.089 145 HB3 ALA 24 3HB ALA 24 1.530 -6.316 -0.262 146 H LYS 25 H LYS 25 3.229 -6.683 -2.812 147 HA LYS 25 HA LYS 25 4.006 -3.904 -2.379 148 HB2 LYS 25 1HB LYS 25 5.417 -5.692 -4.367 149 HB3 LYS 25 2HB LYS 25 5.692 -3.969 -4.152 150 HG2 LYS 25 1HG LYS 25 6.381 -4.481 -1.790 151 HG3 LYS 25 2HG LYS 25 6.335 -6.190 -2.232 152 HD2 LYS 25 1HD LYS 25 7.900 -4.272 -3.906 153 HD3 LYS 25 2HD LYS 25 8.575 -4.850 -2.381 154 HE2 LYS 25 1HE LYS 25 9.389 -6.410 -3.867 155 HE3 LYS 25 2HE LYS 25 7.916 -7.197 -3.303 156 HZ1 LYS 25 1HZ LYS 25 8.335 -7.174 -5.786 157 HZ2 LYS 25 2HZ LYS 25 7.954 -5.527 -5.743 158 HZ3 LYS 25 3HZ LYS 25 6.802 -6.673 -5.273 159 H GLY 26 H GLY 26 3.062 -2.493 -3.782 160 HA2 GLY 26 1HA GLY 26 1.974 -3.344 -6.305 161 HA3 GLY 26 2HA GLY 26 0.738 -3.069 -5.086 162 H THR 27 H THR 27 -0.204 -1.298 -6.020 163 HA THR 27 HA THR 27 1.257 1.194 -5.736 164 HB THR 27 HB THR 27 -0.007 0.469 -8.386 165 HG1 THR 27 HG1 THR 27 2.466 0.979 -8.816 166 HG21 THR 27 1HG2 THR 27 1.377 2.643 -8.956 167 HG22 THR 27 2HG2 THR 27 1.129 2.975 -7.241 168 HG23 THR 27 3HG2 THR 27 -0.258 2.750 -8.307 169 H LEU 28 H LEU 28 -0.031 2.784 -5.019 170 HA LEU 28 HA LEU 28 -2.891 2.220 -4.806 171 HB2 LEU 28 1HB LEU 28 -1.906 2.803 -2.731 172 HB3 LEU 28 2HB LEU 28 -1.059 4.170 -3.430 173 HG LEU 28 HG LEU 28 -3.570 4.965 -3.909 174 HD11 LEU 28 1HD1 LEU 28 -4.327 4.165 -1.300 175 HD12 LEU 28 2HD1 LEU 28 -5.125 3.815 -2.833 176 HD13 LEU 28 3HD1 LEU 28 -3.896 2.716 -2.208 177 HD21 LEU 28 1HD2 LEU 28 -1.544 5.499 -1.950 178 HD22 LEU 28 2HD2 LEU 28 -2.709 6.602 -2.683 179 HD23 LEU 28 3HD2 LEU 28 -3.144 5.696 -1.234 180 H PHE 29 H PHE 29 -4.412 3.307 -5.895 181 HA PHE 29 HA PHE 29 -3.531 5.544 -7.593 182 HB2 PHE 29 1HB PHE 29 -5.841 3.625 -7.964 183 HB3 PHE 29 2HB PHE 29 -5.472 4.975 -9.032 184 HD1 PHE 29 HD2 PHE 29 -3.592 2.142 -7.484 185 HD2 PHE 29 HD1 PHE 29 -4.458 4.389 -10.993 186 HE1 PHE 29 HE2 PHE 29 -2.079 0.697 -8.778 187 HE2 PHE 29 HE1 PHE 29 -2.947 2.947 -12.294 188 HZ PHE 29 HZ PHE 29 -1.754 1.099 -11.186 189 H GLN 30 H GLN 30 -3.952 7.358 -6.464 190 HA GLN 30 HA GLN 30 -5.788 7.878 -4.541 191 HB2 GLN 30 1HB GLN 30 -5.367 9.950 -6.662 192 HB3 GLN 30 2HB GLN 30 -5.450 10.148 -4.916 193 HG2 GLN 30 1HG GLN 30 -3.259 8.795 -4.882 194 HG3 GLN 30 2HG GLN 30 -3.170 9.194 -6.597 195 HE21 GLN 30 1HE2 GLN 30 -2.550 10.233 -3.455 196 HE22 GLN 30 2HE2 GLN 30 -2.118 11.867 -3.811 197 H GLU 31 H GLU 31 -6.354 8.107 -8.038 198 HA GLU 31 HA GLU 31 -8.954 9.075 -7.994 199 HB2 GLU 31 1HB GLU 31 -9.208 8.030 -10.217 200 HB3 GLU 31 2HB GLU 31 -7.689 8.901 -10.057 201 HG2 GLU 31 1HG GLU 31 -6.448 6.906 -9.873 202 HG3 GLU 31 2HG GLU 31 -7.901 5.938 -9.630 203 H LYS 32 H LYS 32 -7.789 5.747 -7.729 204 HA LYS 32 HA LYS 32 -10.486 4.705 -7.505 205 HB2 LYS 32 1HB LYS 32 -7.750 3.449 -7.452 206 HB3 LYS 32 2HB LYS 32 -9.196 2.529 -7.057 207 HG2 LYS 32 1HG LYS 32 -9.906 2.458 -9.201 208 HG3 LYS 32 2HG LYS 32 -9.253 4.051 -9.587 209 HD2 LYS 32 1HD LYS 32 -6.966 3.041 -9.521 210 HD3 LYS 32 2HD LYS 32 -7.730 1.459 -9.348 211 HE2 LYS 32 1HE LYS 32 -8.434 1.414 -11.506 212 HE3 LYS 32 2HE LYS 32 -8.674 3.158 -11.578 213 HZ1 LYS 32 1HZ LYS 32 -6.823 3.117 -12.807 214 HZ2 LYS 32 2HZ LYS 32 -6.347 1.591 -12.254 215 HZ3 LYS 32 3HZ LYS 32 -6.007 2.969 -11.332 216 H LEU 33 H LEU 33 -8.376 6.211 -5.446 217 HA LEU 33 HA LEU 33 -9.135 4.652 -3.092 218 HB2 LEU 33 1HB LEU 33 -6.787 5.310 -3.331 219 HB3 LEU 33 2HB LEU 33 -7.257 6.999 -3.381 220 HG LEU 33 HG LEU 33 -8.101 6.818 -1.066 221 HD11 LEU 33 1HD1 LEU 33 -7.618 3.994 -1.568 222 HD12 LEU 33 2HD1 LEU 33 -6.905 4.558 -0.057 223 HD13 LEU 33 3HD1 LEU 33 -8.629 4.775 -0.353 224 HD21 LEU 33 1HD2 LEU 33 -5.311 6.479 -1.887 225 HD22 LEU 33 2HD2 LEU 33 -6.041 7.661 -0.803 226 HD23 LEU 33 3HD2 LEU 33 -5.631 6.054 -0.206 227 H LYS 34 H LYS 34 -9.706 7.726 -4.639 228 HA LYS 34 HA LYS 34 -10.794 9.210 -2.574 229 HB2 LYS 34 1HB LYS 34 -11.525 9.111 -5.500 230 HB3 LYS 34 2HB LYS 34 -12.187 10.300 -4.386 231 HG2 LYS 34 1HG LYS 34 -9.759 10.899 -3.864 232 HG3 LYS 34 2HG LYS 34 -9.357 9.979 -5.317 233 HD2 LYS 34 1HD LYS 34 -11.483 12.067 -5.460 234 HD3 LYS 34 2HD LYS 34 -9.790 12.566 -5.440 235 HE2 LYS 34 1HE LYS 34 -10.388 12.364 -7.717 236 HE3 LYS 34 2HE LYS 34 -9.421 10.940 -7.338 237 HZ1 LYS 34 1HZ LYS 34 -12.214 10.513 -6.893 238 HZ2 LYS 34 2HZ LYS 34 -11.118 9.604 -7.806 239 HZ3 LYS 34 3HZ LYS 34 -11.888 10.943 -8.497 240 H GLN 35 H GLN 35 -12.491 6.989 -4.781 241 HA GLN 35 HA GLN 35 -15.063 7.221 -3.963 242 HB2 GLN 35 1HB GLN 35 -13.732 4.542 -4.376 243 HB3 GLN 35 2HB GLN 35 -15.426 4.940 -4.630 244 HG2 GLN 35 1HG GLN 35 -14.550 6.612 -6.376 245 HG3 GLN 35 2HG GLN 35 -13.049 5.693 -6.281 246 HE21 GLN 35 1HE2 GLN 35 -15.672 6.049 -8.084 247 HE22 GLN 35 2HE2 GLN 35 -15.875 4.445 -8.691 248 H GLY 36 H GLY 36 -12.620 5.158 -2.386 249 HA2 GLY 36 1HA GLY 36 -13.424 5.706 0.226 250 HA3 GLY 36 2HA GLY 36 -14.320 4.288 -0.297 251 H ALA 37 H ALA 37 -12.431 4.362 1.830 252 HA ALA 37 HA ALA 37 -9.975 3.184 0.881 253 HB1 ALA 37 1HB ALA 37 -9.886 2.721 3.519 254 HB2 ALA 37 2HB ALA 37 -9.467 4.275 2.795 255 HB3 ALA 37 3HB ALA 37 -11.069 4.030 3.491 256 H SER 38 H SER 38 -12.775 1.924 0.560 257 HA SER 38 HA SER 38 -12.074 -0.717 1.666 258 HB2 SER 38 1HB SER 38 -14.216 0.452 2.492 259 HB3 SER 38 2HB SER 38 -14.869 0.102 0.892 260 HG SER 38 HG SER 38 -13.889 -1.776 2.781 261 H LYS 39 H LYS 39 -12.334 1.084 -1.131 262 HA LYS 39 HA LYS 39 -13.115 -1.140 -2.842 263 HB2 LYS 39 1HB LYS 39 -12.285 1.668 -3.596 264 HB3 LYS 39 2HB LYS 39 -13.007 0.474 -4.667 265 HG2 LYS 39 1HG LYS 39 -14.499 1.227 -2.214 266 HG3 LYS 39 2HG LYS 39 -14.435 2.385 -3.544 267 HD2 LYS 39 1HD LYS 39 -15.214 0.538 -5.057 268 HD3 LYS 39 2HD LYS 39 -15.478 -0.442 -3.613 269 HE2 LYS 39 1HE LYS 39 -17.565 0.443 -3.844 270 HE3 LYS 39 2HE LYS 39 -16.831 1.705 -2.855 271 HZ1 LYS 39 1HZ LYS 39 -17.564 1.752 -5.688 272 HZ2 LYS 39 2HZ LYS 39 -16.214 2.652 -5.208 273 HZ3 LYS 39 3HZ LYS 39 -17.725 2.957 -4.511 274 H LYS 40 H LYS 40 -11.781 -2.032 -4.441 275 HA LYS 40 HA LYS 40 -9.078 -2.399 -3.705 276 HB2 LYS 40 1HB LYS 40 -10.238 -2.999 -6.422 277 HB3 LYS 40 2HB LYS 40 -8.898 -3.805 -5.618 278 HG2 LYS 40 1HG LYS 40 -11.485 -3.882 -4.208 279 HG3 LYS 40 2HG LYS 40 -11.388 -4.793 -5.717 280 HD2 LYS 40 1HD LYS 40 -9.206 -5.754 -4.761 281 HD3 LYS 40 2HD LYS 40 -9.766 -5.122 -3.211 282 HE2 LYS 40 1HE LYS 40 -10.572 -7.289 -3.179 283 HE3 LYS 40 2HE LYS 40 -11.961 -6.384 -3.779 284 HZ1 LYS 40 1HZ LYS 40 -10.044 -7.553 -5.681 285 HZ2 LYS 40 2HZ LYS 40 -11.681 -7.192 -5.901 286 HZ3 LYS 40 3HZ LYS 40 -11.228 -8.535 -4.977 287 H CYS 41 H CYS 41 -7.746 -0.679 -3.746 288 HA CYS 41 HA CYS 41 -7.561 0.833 -6.268 289 HB2 CYS 41 1HB CYS 41 -6.625 2.694 -4.855 290 HB3 CYS 41 2HB CYS 41 -8.320 2.326 -4.560 291 HG CYS 41 HG CYS 41 -8.104 1.846 -2.044 292 H ILE 42 H ILE 42 -5.919 -1.061 -3.911 293 HA ILE 42 HA ILE 42 -3.273 -0.306 -4.847 294 HB ILE 42 HB ILE 42 -4.066 -2.436 -2.857 295 HG12 ILE 42 1HG1 ILE 42 -2.838 0.224 -2.187 296 HG13 ILE 42 2HG1 ILE 42 -4.582 0.061 -2.362 297 HG21 ILE 42 1HG2 ILE 42 -1.712 -2.258 -4.177 298 HG22 ILE 42 2HG2 ILE 42 -1.383 -1.237 -2.778 299 HG23 ILE 42 3HG2 ILE 42 -1.887 -2.911 -2.548 300 HD11 ILE 42 1HD1 ILE 42 -4.233 -0.189 -0.089 301 HD12 ILE 42 2HD1 ILE 42 -4.353 -1.853 -0.663 302 HD13 ILE 42 3HD1 ILE 42 -2.773 -1.151 -0.318 303 H GLN 43 H GLN 43 -2.833 -1.056 -6.839 304 HA GLN 43 HA GLN 43 -3.629 -3.751 -7.601 305 HB2 GLN 43 1HB GLN 43 -3.732 -1.610 -9.084 306 HB3 GLN 43 2HB GLN 43 -2.017 -1.907 -9.333 307 HG2 GLN 43 1HG GLN 43 -2.677 -4.247 -10.052 308 HG3 GLN 43 2HG GLN 43 -4.336 -3.650 -10.096 309 HE21 GLN 43 1HE2 GLN 43 -4.616 -3.840 -12.274 310 HE22 GLN 43 2HE2 GLN 43 -3.770 -2.877 -13.432 311 H ASN 44 H ASN 44 -2.356 -5.371 -7.000 312 HA ASN 44 HA ASN 44 0.334 -5.090 -6.206 313 HB2 ASN 44 1HB ASN 44 0.377 -7.511 -6.079 314 HB3 ASN 44 2HB ASN 44 -1.167 -6.929 -5.464 315 HD21 ASN 44 1HD2 ASN 44 -1.342 -9.397 -6.002 316 HD22 ASN 44 2HD2 ASN 44 -2.065 -9.739 -7.533 317 H GLU 45 H GLU 45 2.086 -6.553 -7.232 318 HA GLU 45 HA GLU 45 2.711 -5.506 -9.766 319 HB2 GLU 45 1HB GLU 45 3.892 -7.954 -8.442 320 HB3 GLU 45 2HB GLU 45 4.625 -7.009 -9.731 321 HG2 GLU 45 1HG GLU 45 4.323 -5.060 -7.964 322 HG3 GLU 45 2HG GLU 45 4.387 -6.416 -6.840 323 H ALA 46 H ALA 46 0.803 -8.186 -8.834 324 HA ALA 46 HA ALA 46 1.098 -9.647 -11.305 325 HB1 ALA 46 1HB ALA 46 -0.751 -9.972 -8.952 326 HB2 ALA 46 2HB ALA 46 -0.792 -11.016 -10.373 327 HB3 ALA 46 3HB ALA 46 0.657 -10.950 -9.369 328 H GLY 47 H GLY 47 -0.660 -6.942 -10.293 329 HA2 GLY 47 1HA GLY 47 -1.881 -5.641 -11.891 330 HA3 GLY 47 2HA GLY 47 -2.338 -7.132 -12.701 331 H ASP 48 H ASP 48 -2.919 -8.326 -9.977 332 HA ASP 48 HA ASP 48 -5.698 -7.745 -9.955 333 HB2 ASP 48 1HB ASP 48 -3.877 -9.374 -8.210 334 HB3 ASP 48 2HB ASP 48 -5.548 -9.093 -7.730 335 H TRP 49 H TRP 49 -6.871 -6.369 -8.751 336 HA TRP 49 HA TRP 49 -5.443 -4.408 -7.165 337 HB2 TRP 49 1HB TRP 49 -8.369 -4.617 -7.910 338 HB3 TRP 49 2HB TRP 49 -7.640 -3.262 -7.052 339 HD1 TRP 49 HD1 TRP 49 -7.578 -4.964 -10.511 340 HE1 TRP 49 HE1 TRP 49 -6.801 -3.229 -12.247 341 HE3 TRP 49 HE3 TRP 49 -6.421 -1.115 -7.351 342 HZ2 TRP 49 HZ2 TRP 49 -5.826 -0.580 -12.273 343 HZ3 TRP 49 HZ3 TRP 49 -5.572 0.985 -8.312 344 HH2 TRP 49 HH2 TRP 49 -5.281 1.245 -10.722 345 H LEU 50 H LEU 50 -5.728 -4.013 -4.988 346 HA LEU 50 HA LEU 50 -7.336 -5.968 -3.488 347 HB2 LEU 50 1HB LEU 50 -4.619 -4.983 -2.625 348 HB3 LEU 50 2HB LEU 50 -5.600 -6.207 -1.841 349 HG LEU 50 HG LEU 50 -3.921 -7.406 -2.957 350 HD11 LEU 50 1HD1 LEU 50 -5.249 -8.887 -3.965 351 HD12 LEU 50 2HD1 LEU 50 -6.559 -7.754 -3.635 352 HD13 LEU 50 3HD1 LEU 50 -5.746 -7.731 -5.200 353 HD21 LEU 50 1HD2 LEU 50 -4.484 -5.910 -5.506 354 HD22 LEU 50 2HD2 LEU 50 -3.228 -5.433 -4.364 355 HD23 LEU 50 3HD2 LEU 50 -3.146 -7.005 -5.158 356 H THR 51 H THR 51 -8.424 -5.196 -1.734 357 HA THR 51 HA THR 51 -8.831 -2.372 -1.582 358 HB THR 51 HB THR 51 -10.427 -2.861 0.195 359 HG1 THR 51 HG1 THR 51 -9.181 -5.406 0.121 360 HG21 THR 51 1HG2 THR 51 -10.707 -3.566 -2.386 361 HG22 THR 51 2HG2 THR 51 -11.984 -3.766 -1.186 362 HG23 THR 51 3HG2 THR 51 -10.960 -5.134 -1.620 363 H VAL 52 H VAL 52 -8.410 -0.980 0.155 364 HA VAL 52 HA VAL 52 -5.984 -0.815 1.244 365 HB VAL 52 HB VAL 52 -8.527 -0.135 2.728 366 HG11 VAL 52 1HG1 VAL 52 -7.256 1.285 4.125 367 HG12 VAL 52 2HG1 VAL 52 -6.406 -0.262 4.105 368 HG13 VAL 52 3HG1 VAL 52 -5.809 1.086 3.137 369 HG21 VAL 52 1HG2 VAL 52 -6.771 1.658 1.062 370 HG22 VAL 52 2HG2 VAL 52 -8.230 0.876 0.454 371 HG23 VAL 52 3HG2 VAL 52 -8.339 2.043 1.771 372 H LYS 53 H LYS 53 -8.485 -2.993 2.319 373 HA LYS 53 HA LYS 53 -7.009 -3.792 4.686 374 HB2 LYS 53 1HB LYS 53 -9.676 -4.440 3.515 375 HB3 LYS 53 2HB LYS 53 -8.955 -5.591 4.632 376 HG2 LYS 53 1HG LYS 53 -8.692 -3.659 6.243 377 HG3 LYS 53 2HG LYS 53 -9.730 -2.737 5.153 378 HD2 LYS 53 1HD LYS 53 -11.243 -3.592 6.688 379 HD3 LYS 53 2HD LYS 53 -11.336 -4.761 5.369 380 HE2 LYS 53 1HE LYS 53 -11.131 -6.181 7.151 381 HE3 LYS 53 2HE LYS 53 -9.431 -5.954 6.740 382 HZ1 LYS 53 1HZ LYS 53 -10.937 -4.960 9.039 383 HZ2 LYS 53 2HZ LYS 53 -9.706 -3.973 8.431 384 HZ3 LYS 53 3HZ LYS 53 -9.350 -5.541 8.956 385 H GLU 54 H GLU 54 -8.163 -5.395 1.715 386 HA GLU 54 HA GLU 54 -7.024 -7.862 2.011 387 HB2 GLU 54 1HB GLU 54 -7.445 -6.161 -0.431 388 HB3 GLU 54 2HB GLU 54 -6.728 -7.761 -0.558 389 HG2 GLU 54 1HG GLU 54 -9.271 -7.501 0.943 390 HG3 GLU 54 2HG GLU 54 -9.325 -7.357 -0.813 391 H PHE 55 H PHE 55 -5.462 -5.211 0.202 392 HA PHE 55 HA PHE 55 -3.046 -6.182 -0.361 393 HB2 PHE 55 1HB PHE 55 -3.756 -3.817 -0.709 394 HB3 PHE 55 2HB PHE 55 -3.404 -3.498 0.987 395 HD1 PHE 55 HD1 PHE 55 -1.557 -5.391 -1.641 396 HD2 PHE 55 HD2 PHE 55 -1.550 -2.148 1.116 397 HE1 PHE 55 HE1 PHE 55 0.784 -4.905 -2.224 398 HE2 PHE 55 HE2 PHE 55 0.790 -1.656 0.537 399 HZ PHE 55 HZ PHE 55 1.960 -3.034 -1.136 400 H LEU 56 H LEU 56 -3.992 -5.068 2.868 401 HA LEU 56 HA LEU 56 -1.523 -5.461 4.134 402 HB2 LEU 56 1HB LEU 56 -4.220 -5.814 5.431 403 HB3 LEU 56 2HB LEU 56 -2.718 -5.341 6.203 404 HG LEU 56 HG LEU 56 -4.262 -3.677 4.211 405 HD11 LEU 56 1HD1 LEU 56 -4.116 -3.696 7.198 406 HD12 LEU 56 2HD1 LEU 56 -4.435 -2.198 6.324 407 HD13 LEU 56 3HD1 LEU 56 -5.526 -3.572 6.145 408 HD21 LEU 56 1HD2 LEU 56 -2.123 -2.925 3.901 409 HD22 LEU 56 2HD2 LEU 56 -2.605 -1.932 5.275 410 HD23 LEU 56 3HD2 LEU 56 -1.612 -3.366 5.530 411 H ASN 57 H ASN 57 -4.378 -7.597 4.064 412 HA ASN 57 HA ASN 57 -3.401 -9.734 5.478 413 HB2 ASN 57 1HB ASN 57 -5.703 -9.316 4.231 414 HB3 ASN 57 2HB ASN 57 -4.952 -10.318 2.993 415 HD21 ASN 57 1HD2 ASN 57 -6.815 -10.342 5.716 416 HD22 ASN 57 2HD2 ASN 57 -6.617 -11.995 6.178 417 H GLU 58 H GLU 58 -2.871 -8.975 2.064 418 HA GLU 58 HA GLU 58 -1.598 -11.294 1.247 419 HB2 GLU 58 1HB GLU 58 -1.518 -8.449 0.391 420 HB3 GLU 58 2HB GLU 58 -0.238 -9.499 -0.199 421 HG2 GLU 58 1HG GLU 58 -3.145 -10.189 -0.472 422 HG3 GLU 58 2HG GLU 58 -2.271 -9.243 -1.675 423 H GLY 59 H GLY 59 -0.351 -8.596 3.115 424 HA2 GLY 59 1HA GLY 59 2.353 -9.702 3.057 425 HA3 GLY 59 2HA GLY 59 1.873 -8.166 3.765 426 H GLY 60 H GLY 60 -0.305 -9.201 5.324 427 HA2 GLY 60 1HA GLY 60 -0.487 -11.015 7.025 428 HA3 GLY 60 2HA GLY 60 1.229 -10.763 7.311 429 H ARG 61 H ARG 61 -0.934 -8.091 6.732 430 HA ARG 61 HA ARG 61 -0.627 -7.311 9.557 431 HB2 ARG 61 1HB ARG 61 -0.704 -5.667 7.036 432 HB3 ARG 61 2HB ARG 61 -1.013 -4.953 8.613 433 HG2 ARG 61 1HG ARG 61 1.492 -6.483 7.968 434 HG3 ARG 61 2HG ARG 61 1.335 -4.738 7.753 435 HD2 ARG 61 1HD ARG 61 1.224 -4.333 10.016 436 HD3 ARG 61 2HD ARG 61 0.611 -5.945 10.380 437 HE ARG 61 HE ARG 61 3.276 -6.016 9.368 438 HH11 ARG 61 1HH1 ARG 61 1.374 -5.421 12.223 439 HH12 ARG 61 2HH1 ARG 61 2.649 -5.841 13.318 440 HH21 ARG 61 1HH2 ARG 61 4.962 -6.572 10.801 441 HH22 ARG 61 2HH2 ARG 61 4.690 -6.495 12.508 442 H ALA 62 H ALA 62 -2.787 -8.841 7.987 443 HA ALA 62 HA ALA 62 -5.121 -7.419 7.710 444 HB1 ALA 62 1HB ALA 62 -5.479 -9.547 7.047 445 HB2 ALA 62 2HB ALA 62 -4.461 -10.230 8.316 446 HB3 ALA 62 3HB ALA 62 -6.108 -9.719 8.685 447 H THR 63 H THR 63 -3.699 -8.712 10.675 448 HA THR 63 HA THR 63 -5.847 -8.152 12.400 449 HB THR 63 HB THR 63 -4.037 -9.624 13.090 450 HG1 THR 63 HG1 THR 63 -4.811 -7.417 14.562 451 HG21 THR 63 1HG2 THR 63 -1.879 -8.421 13.872 452 HG22 THR 63 2HG2 THR 63 -2.375 -7.152 12.752 453 HG23 THR 63 3HG2 THR 63 -2.076 -8.785 12.158 454 H SER 64 H SER 64 -3.264 -6.156 11.147 455 HA SER 64 HA SER 64 -3.594 -4.008 12.989 456 HB2 SER 64 1HB SER 64 -2.175 -4.359 10.372 457 HB3 SER 64 2HB SER 64 -2.384 -2.738 11.034 458 HG SER 64 HG SER 64 -0.593 -3.292 12.035 459 H LYS 65 H LYS 65 -4.655 -2.050 12.732 460 HA LYS 65 HA LYS 65 -6.913 -2.131 10.877 461 HB2 LYS 65 1HB LYS 65 -7.060 -1.641 13.429 462 HB3 LYS 65 2HB LYS 65 -6.508 -0.031 12.984 463 HG2 LYS 65 1HG LYS 65 -8.853 0.088 13.086 464 HG3 LYS 65 2HG LYS 65 -8.447 0.051 11.369 465 HD2 LYS 65 1HD LYS 65 -9.092 -2.217 11.170 466 HD3 LYS 65 2HD LYS 65 -9.163 -2.426 12.921 467 HE2 LYS 65 1HE LYS 65 -11.088 -0.994 13.066 468 HE3 LYS 65 2HE LYS 65 -10.961 -0.580 11.357 469 HZ1 LYS 65 1HZ LYS 65 -11.104 -3.382 11.655 470 HZ2 LYS 65 2HZ LYS 65 -12.165 -2.348 10.840 471 HZ3 LYS 65 3HZ LYS 65 -12.393 -2.667 12.486 472 H ASP 66 H ASP 66 -4.748 0.432 12.095 473 HA ASP 66 HA ASP 66 -5.211 2.240 10.028 474 HB2 ASP 66 1HB ASP 66 -4.101 2.819 12.161 475 HB3 ASP 66 2HB ASP 66 -2.677 1.918 11.649 476 H TRP 67 H TRP 67 -4.967 1.809 7.934 477 HA TRP 67 HA TRP 67 -2.971 -0.032 6.979 478 HB2 TRP 67 1HB TRP 67 -3.886 0.559 4.731 479 HB3 TRP 67 2HB TRP 67 -5.110 -0.002 5.866 480 HD1 TRP 67 HD1 TRP 67 -6.802 1.882 6.860 481 HE1 TRP 67 HE1 TRP 67 -7.580 4.124 5.864 482 HE3 TRP 67 HE3 TRP 67 -3.169 2.500 3.317 483 HZ2 TRP 67 HZ2 TRP 67 -6.762 5.917 3.843 484 HZ3 TRP 67 HZ3 TRP 67 -3.239 4.506 1.894 485 HH2 TRP 67 HH2 TRP 67 -5.000 6.177 2.152 486 H LYS 68 H LYS 68 -3.311 3.413 7.287 487 HA LYS 68 HA LYS 68 -1.320 4.186 5.429 488 HB2 LYS 68 1HB LYS 68 -2.495 5.552 7.847 489 HB3 LYS 68 2HB LYS 68 -1.280 6.314 6.830 490 HG2 LYS 68 1HG LYS 68 -2.773 6.123 4.903 491 HG3 LYS 68 2HG LYS 68 -3.994 5.366 5.930 492 HD2 LYS 68 1HD LYS 68 -3.981 7.425 7.339 493 HD3 LYS 68 2HD LYS 68 -2.905 8.171 6.155 494 HE2 LYS 68 1HE LYS 68 -4.547 8.298 4.546 495 HE3 LYS 68 2HE LYS 68 -5.471 6.962 5.232 496 HZ1 LYS 68 1HZ LYS 68 -6.302 8.333 6.929 497 HZ2 LYS 68 2HZ LYS 68 -6.444 9.250 5.515 498 HZ3 LYS 68 3HZ LYS 68 -5.192 9.569 6.608 499 H GLY 69 H GLY 69 -1.192 2.930 8.651 500 HA2 GLY 69 1HA GLY 69 1.548 3.801 9.086 501 HA3 GLY 69 2HA GLY 69 0.566 2.854 10.193 502 H VAL 70 H VAL 70 -0.177 0.756 8.512 503 HA VAL 70 HA VAL 70 2.120 -0.896 8.685 504 HB VAL 70 HB VAL 70 0.738 -2.616 7.580 505 HG11 VAL 70 1HG1 VAL 70 0.551 -2.352 9.971 506 HG12 VAL 70 2HG1 VAL 70 -0.638 -1.063 9.769 507 HG13 VAL 70 3HG1 VAL 70 -1.038 -2.716 9.298 508 HG21 VAL 70 1HG2 VAL 70 -0.957 -0.252 6.992 509 HG22 VAL 70 2HG2 VAL 70 -0.622 -1.677 6.009 510 HG23 VAL 70 3HG2 VAL 70 -1.770 -1.777 7.344 511 H ILE 71 H ILE 71 0.495 0.726 6.005 512 HA ILE 71 HA ILE 71 2.248 -0.437 4.028 513 HB ILE 71 HB ILE 71 0.254 1.815 3.753 514 HG12 ILE 71 1HG1 ILE 71 -0.038 -1.069 2.901 515 HG13 ILE 71 2HG1 ILE 71 -0.650 -0.450 4.431 516 HG21 ILE 71 1HG2 ILE 71 1.666 0.183 1.647 517 HG22 ILE 71 2HG2 ILE 71 0.413 1.386 1.349 518 HG23 ILE 71 3HG2 ILE 71 1.966 1.880 2.022 519 HD11 ILE 71 1HD1 ILE 71 -2.159 -0.620 2.272 520 HD12 ILE 71 2HD1 ILE 71 -2.353 0.680 3.448 521 HD13 ILE 71 3HD1 ILE 71 -1.454 0.965 1.958 522 H ARG 72 H ARG 72 4.092 0.389 3.259 523 HA ARG 72 HA ARG 72 4.847 3.103 4.127 524 HB2 ARG 72 1HB ARG 72 6.701 0.786 3.548 525 HB3 ARG 72 2HB ARG 72 7.161 2.371 4.156 526 HG2 ARG 72 1HG ARG 72 5.874 1.934 6.207 527 HG3 ARG 72 2HG ARG 72 5.489 0.324 5.597 528 HD2 ARG 72 1HD ARG 72 8.338 1.202 5.775 529 HD3 ARG 72 2HD ARG 72 7.497 0.668 7.230 530 HE ARG 72 HE ARG 72 6.990 -1.348 5.559 531 HH11 ARG 72 1HH1 ARG 72 9.951 0.334 6.282 532 HH12 ARG 72 2HH1 ARG 72 10.960 -1.041 5.977 533 HH21 ARG 72 1HH2 ARG 72 8.307 -3.166 5.154 534 HH22 ARG 72 2HH2 ARG 72 10.024 -3.031 5.335 535 H CYS 73 H CYS 73 5.671 4.508 2.642 536 HA CYS 73 HA CYS 73 5.832 3.550 -0.140 537 HB2 CYS 73 1HB CYS 73 3.853 4.902 0.070 538 HB3 CYS 73 2HB CYS 73 4.743 6.165 0.911 539 HG CYS 73 HG CYS 73 6.352 5.943 -1.808 540 H ASN 74 H ASN 74 7.948 3.447 -0.577 541 HA ASN 74 HA ASN 74 10.076 4.132 -1.010 542 HB2 ASN 74 1HB ASN 74 9.108 6.913 -0.316 543 HB3 ASN 74 2HB ASN 74 10.549 6.496 -1.239 544 HD21 ASN 74 1HD2 ASN 74 9.225 8.138 -2.587 545 HD22 ASN 74 2HD2 ASN 74 8.198 7.436 -3.785 546 H GLY 75 H GLY 75 9.241 3.288 1.638 547 HA2 GLY 75 1HA GLY 75 10.543 2.898 3.544 548 HA3 GLY 75 2HA GLY 75 11.568 4.253 3.093 549 H GLU 76 H GLU 76 8.698 5.590 2.744 550 HA GLU 76 HA GLU 76 8.502 6.377 5.577 551 HB2 GLU 76 1HB GLU 76 8.199 8.010 3.064 552 HB3 GLU 76 2HB GLU 76 7.571 8.558 4.612 553 HG2 GLU 76 1HG GLU 76 9.615 9.587 4.556 554 HG3 GLU 76 2HG GLU 76 9.992 8.114 5.448 555 H THR 77 H THR 77 6.621 6.018 6.548 556 HA THR 77 HA THR 77 4.507 4.652 5.347 557 HB THR 77 HB THR 77 3.189 5.252 7.378 558 HG1 THR 77 HG1 THR 77 3.846 7.203 8.050 559 HG21 THR 77 1HG2 THR 77 4.864 4.248 9.022 560 HG22 THR 77 2HG2 THR 77 5.998 4.216 7.671 561 HG23 THR 77 3HG2 THR 77 4.493 3.301 7.582 562 H LEU 78 H LEU 78 2.487 5.262 4.610 563 HA LEU 78 HA LEU 78 2.224 7.519 3.081 564 HB2 LEU 78 1HB LEU 78 -0.026 6.079 4.489 565 HB3 LEU 78 2HB LEU 78 -0.184 7.106 3.076 566 HG LEU 78 HG LEU 78 1.364 4.515 3.142 567 HD11 LEU 78 1HD1 LEU 78 -1.319 5.055 1.886 568 HD12 LEU 78 2HD1 LEU 78 -0.461 3.517 1.973 569 HD13 LEU 78 3HD1 LEU 78 -1.098 4.255 3.442 570 HD21 LEU 78 1HD2 LEU 78 1.598 6.637 1.403 571 HD22 LEU 78 2HD2 LEU 78 2.062 4.969 1.074 572 HD23 LEU 78 3HD2 LEU 78 0.476 5.556 0.577 573 H ARG 79 H ARG 79 1.188 7.077 6.443 574 HA ARG 79 HA ARG 79 -0.106 9.497 6.837 575 HB2 ARG 79 1HB ARG 79 -0.264 7.864 8.546 576 HB3 ARG 79 2HB ARG 79 1.484 7.752 8.707 577 HG2 ARG 79 1HG ARG 79 0.211 10.372 9.266 578 HG3 ARG 79 2HG ARG 79 -0.007 9.073 10.442 579 HD2 ARG 79 1HD ARG 79 2.687 9.884 9.375 580 HD3 ARG 79 2HD ARG 79 1.972 10.606 10.816 581 HE ARG 79 HE ARG 79 3.169 8.010 10.596 582 HH11 ARG 79 1HH1 ARG 79 0.839 9.931 12.328 583 HH12 ARG 79 2HH1 ARG 79 0.919 8.967 13.766 584 HH21 ARG 79 1HH2 ARG 79 3.282 6.733 12.482 585 HH22 ARG 79 2HH2 ARG 79 2.309 7.149 13.852 586 H HIS 80 H HIS 80 3.340 8.735 7.052 587 HA HIS 80 HA HIS 80 4.184 11.245 8.024 588 HB2 HIS 80 1HB HIS 80 5.498 9.042 7.931 589 HB3 HIS 80 2HB HIS 80 5.853 9.463 6.258 590 HD1 HIS 80 HD1 HIS 80 6.817 10.218 9.740 591 HD2 HIS 80 HD2 HIS 80 7.511 11.771 5.950 592 HE1 HIS 80 HE1 HIS 80 8.773 11.778 10.000 593 HE2 HIS 80 HE2 HIS 80 9.120 12.770 7.711 594 H LEU 81 H LEU 81 4.057 9.929 4.721 595 HA LEU 81 HA LEU 81 5.072 12.170 3.397 596 HB2 LEU 81 1HB LEU 81 3.005 10.235 2.351 597 HB3 LEU 81 2HB LEU 81 4.059 11.254 1.390 598 HG LEU 81 HG LEU 81 5.035 9.044 3.198 599 HD11 LEU 81 1HD1 LEU 81 3.921 7.873 1.543 600 HD12 LEU 81 2HD1 LEU 81 4.282 9.076 0.306 601 HD13 LEU 81 3HD1 LEU 81 5.553 8.002 0.888 602 HD21 LEU 81 1HD2 LEU 81 6.882 9.615 1.188 603 HD22 LEU 81 2HD2 LEU 81 6.335 11.186 1.775 604 HD23 LEU 81 3HD2 LEU 81 7.013 10.011 2.902 605 H GLU 82 H GLU 82 1.745 11.324 4.266 606 HA GLU 82 HA GLU 82 0.406 13.377 2.960 607 HB2 GLU 82 1HB GLU 82 -0.757 11.520 4.036 608 HB3 GLU 82 2HB GLU 82 -0.247 12.093 5.617 609 HG2 GLU 82 1HG GLU 82 -1.792 13.944 3.886 610 HG3 GLU 82 2HG GLU 82 -2.643 12.609 4.662 611 H GLN 83 H GLN 83 1.868 13.354 6.191 612 HA GLN 83 HA GLN 83 1.057 15.874 7.040 613 HB2 GLN 83 1HB GLN 83 3.475 14.201 7.664 614 HB3 GLN 83 2HB GLN 83 3.259 15.789 8.388 615 HG2 GLN 83 1HG GLN 83 0.954 14.909 9.113 616 HG3 GLN 83 2HG GLN 83 1.620 13.316 8.756 617 HE21 GLN 83 1HE2 GLN 83 1.718 12.536 10.796 618 HE22 GLN 83 2HE2 GLN 83 2.721 13.196 12.038 619 H LYS 84 H LYS 84 3.764 14.926 4.999 620 HA LYS 84 HA LYS 84 4.843 17.596 4.875 621 HB2 LYS 84 1HB LYS 84 5.484 15.047 3.393 622 HB3 LYS 84 2HB LYS 84 6.306 16.569 3.075 623 HG2 LYS 84 1HG LYS 84 7.410 16.554 5.088 624 HG3 LYS 84 2HG LYS 84 6.201 15.528 5.865 625 HD2 LYS 84 1HD LYS 84 8.048 14.121 5.585 626 HD3 LYS 84 2HD LYS 84 6.986 13.706 4.237 627 HE2 LYS 84 1HE LYS 84 9.156 13.873 3.325 628 HE3 LYS 84 2HE LYS 84 8.319 15.352 2.855 629 HZ1 LYS 84 1HZ LYS 84 10.705 15.473 3.812 630 HZ2 LYS 84 2HZ LYS 84 9.937 15.319 5.310 631 HZ3 LYS 84 3HZ LYS 84 9.558 16.618 4.296 632 H GLY 85 H GLY 85 2.051 16.629 3.804 633 HA2 GLY 85 1HA GLY 85 0.623 17.338 2.153 634 HA3 GLY 85 2HA GLY 85 1.795 18.603 1.815 635 H LEU 86 H LEU 86 2.495 15.171 1.603 636 HA LEU 86 HA LEU 86 2.989 15.525 -1.268 637 HB2 LEU 86 1HB LEU 86 3.898 13.239 0.473 638 HB3 LEU 86 2HB LEU 86 4.471 13.651 -1.132 639 HG LEU 86 HG LEU 86 4.871 15.423 1.275 640 HD11 LEU 86 1HD1 LEU 86 6.658 14.254 1.901 641 HD12 LEU 86 2HD1 LEU 86 6.044 12.954 0.879 642 HD13 LEU 86 3HD1 LEU 86 7.229 14.093 0.240 643 HD21 LEU 86 1HD2 LEU 86 5.846 15.444 -1.560 644 HD22 LEU 86 2HD2 LEU 86 5.089 16.740 -0.635 645 HD23 LEU 86 3HD2 LEU 86 6.745 16.251 -0.275 646 H LEU 87 H LEU 87 1.275 13.523 1.060 647 HA LEU 87 HA LEU 87 -0.037 12.112 -1.166 648 HB2 LEU 87 1HB LEU 87 1.177 10.712 0.491 649 HB3 LEU 87 2HB LEU 87 0.104 11.312 1.742 650 HG LEU 87 HG LEU 87 -1.783 10.364 0.195 651 HD11 LEU 87 1HD1 LEU 87 0.684 9.307 -1.005 652 HD12 LEU 87 2HD1 LEU 87 -0.585 8.119 -0.705 653 HD13 LEU 87 3HD1 LEU 87 -0.919 9.532 -1.705 654 HD21 LEU 87 1HD2 LEU 87 -0.290 9.357 2.383 655 HD22 LEU 87 2HD2 LEU 87 -1.955 8.995 1.929 656 HD23 LEU 87 3HD2 LEU 87 -0.635 8.011 1.297 657 H PHE 88 H PHE 88 -2.068 12.629 -1.607 658 HA PHE 88 HA PHE 88 -3.508 14.582 -0.206 659 HB2 PHE 88 1HB PHE 88 -5.191 14.288 -1.785 660 HB3 PHE 88 2HB PHE 88 -3.769 13.709 -2.648 661 HD1 PHE 88 HD1 PHE 88 -3.324 11.057 -1.933 662 HD2 PHE 88 HD2 PHE 88 -7.064 13.066 -2.246 663 HE1 PHE 88 HE1 PHE 88 -4.444 8.903 -2.334 664 HE2 PHE 88 HE2 PHE 88 -8.189 10.915 -2.646 665 HZ PHE 88 HZ PHE 88 -6.880 8.830 -2.690 666 H SER 89 H SER 89 -3.539 11.076 -0.013 667 HA SER 89 HA SER 89 -4.596 9.612 1.377 668 HB2 SER 89 1HB SER 89 -4.478 11.961 3.285 669 HB3 SER 89 2HB SER 89 -4.711 10.273 3.737 670 HG SER 89 HG SER 89 -2.603 10.334 3.889 671 H GLY 90 H GLY 90 -6.334 10.809 -0.391 672 HA2 GLY 90 1HA GLY 90 -8.635 10.747 -0.689 673 HA3 GLY 90 2HA GLY 90 -8.823 10.532 1.046 674 HA PRO 91 HA PRO 91 -9.886 14.933 -0.380 675 HB2 PRO 91 1HB PRO 91 -12.577 14.784 -0.052 676 HB3 PRO 91 2HB PRO 91 -11.772 14.393 -1.576 677 HG2 PRO 91 1HG PRO 91 -12.765 12.555 0.568 678 HG3 PRO 91 2HG PRO 91 -12.906 12.400 -1.193 679 HD2 PRO 91 1HD PRO 91 -11.049 11.052 0.244 680 HD3 PRO 91 2HD PRO 91 -10.758 11.597 -1.421 681 H SER 92 H SER 92 -9.745 16.422 1.175 682 HA SER 92 HA SER 92 -10.352 15.654 3.924 683 HB2 SER 92 1HB SER 92 -8.644 17.725 2.631 684 HB3 SER 92 2HB SER 92 -9.289 18.083 4.233 685 HG SER 92 HG SER 92 -8.411 15.658 4.424 686 H SER 93 H SER 93 -12.447 15.918 4.410 687 HA SER 93 HA SER 93 -14.222 17.729 3.261 688 HB2 SER 93 1HB SER 93 -14.686 15.679 4.778 689 HB3 SER 93 2HB SER 93 -14.511 16.816 6.114 690 HG SER 93 HG SER 93 -16.152 18.094 5.022 691 H GLY 94 H GLY 94 -12.572 17.976 6.417 692 HA2 GLY 94 1HA GLY 94 -12.467 20.874 6.097 693 HA3 GLY 94 2HA GLY 94 -13.386 20.271 7.469 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -1.231 -4.132 -30.306 2 HA2 GLY 1 1HA GLY 1 0.281 -2.490 -31.758 3 HA3 GLY 1 2HA GLY 1 -0.959 -1.375 -31.204 4 H SER 2 H SER 2 1.630 -0.882 -30.553 5 HA SER 2 HA SER 2 2.302 -1.985 -27.988 6 HB2 SER 2 1HB SER 2 4.158 -1.347 -29.311 7 HB3 SER 2 2HB SER 2 3.461 0.232 -29.672 8 HG SER 2 HG SER 2 5.160 -0.279 -27.800 9 H SER 3 H SER 3 2.154 -1.029 -25.986 10 HA SER 3 HA SER 3 -0.027 0.715 -25.548 11 HB2 SER 3 1HB SER 3 0.878 -1.001 -23.921 12 HB3 SER 3 2HB SER 3 2.196 0.122 -23.586 13 HG SER 3 HG SER 3 -0.551 0.384 -23.027 14 H GLY 4 H GLY 4 3.439 1.254 -24.865 15 HA2 GLY 4 1HA GLY 4 3.488 3.826 -26.054 16 HA3 GLY 4 2HA GLY 4 3.260 3.976 -24.317 17 H SER 5 H SER 5 5.253 1.859 -26.382 18 HA SER 5 HA SER 5 7.435 1.914 -24.553 19 HB2 SER 5 1HB SER 5 6.799 0.120 -26.342 20 HB3 SER 5 2HB SER 5 7.743 1.131 -27.436 21 HG SER 5 HG SER 5 8.958 0.596 -25.022 22 H SER 6 H SER 6 6.824 3.462 -27.686 23 HA SER 6 HA SER 6 9.334 4.863 -27.663 24 HB2 SER 6 1HB SER 6 7.913 4.120 -29.715 25 HB3 SER 6 2HB SER 6 7.013 5.608 -29.422 26 HG SER 6 HG SER 6 8.794 5.832 -30.908 27 H GLY 7 H GLY 7 5.933 5.718 -27.124 28 HA2 GLY 7 1HA GLY 7 6.870 8.263 -25.946 29 HA3 GLY 7 2HA GLY 7 5.362 8.118 -26.836 30 H ASN 8 H ASN 8 6.996 7.503 -23.830 31 HA ASN 8 HA ASN 8 4.476 6.562 -22.641 32 HB2 ASN 8 1HB ASN 8 6.458 5.089 -22.364 33 HB3 ASN 8 2HB ASN 8 7.277 6.392 -21.508 34 HD21 ASN 8 1HD2 ASN 8 7.321 5.995 -19.427 35 HD22 ASN 8 2HD2 ASN 8 6.033 5.334 -18.484 36 H ASP 9 H ASP 9 3.518 7.650 -20.990 37 HA ASP 9 HA ASP 9 4.816 10.139 -20.095 38 HB2 ASP 9 1HB ASP 9 1.911 9.671 -20.782 39 HB3 ASP 9 2HB ASP 9 2.492 11.098 -19.928 40 H ALA 10 H ALA 10 4.147 10.905 -17.978 41 HA ALA 10 HA ALA 10 3.913 8.717 -16.109 42 HB1 ALA 10 1HB ALA 10 5.428 10.274 -15.345 43 HB2 ALA 10 2HB ALA 10 4.454 11.644 -15.881 44 HB3 ALA 10 3HB ALA 10 3.976 10.728 -14.452 45 H VAL 11 H VAL 11 1.627 9.745 -17.901 46 HA VAL 11 HA VAL 11 -0.380 10.951 -16.440 47 HB VAL 11 HB VAL 11 -1.988 9.818 -17.924 48 HG11 VAL 11 1HG1 VAL 11 -0.706 10.468 -20.128 49 HG12 VAL 11 2HG1 VAL 11 -1.198 11.700 -18.964 50 HG13 VAL 11 3HG1 VAL 11 0.468 11.122 -18.987 51 HG21 VAL 11 1HG2 VAL 11 -0.796 8.387 -19.767 52 HG22 VAL 11 2HG2 VAL 11 0.388 8.104 -18.491 53 HG23 VAL 11 3HG2 VAL 11 -1.298 7.647 -18.247 54 H ASP 12 H ASP 12 0.517 7.531 -16.553 55 HA ASP 12 HA ASP 12 -1.502 6.923 -14.521 56 HB2 ASP 12 1HB ASP 12 -1.102 5.515 -16.660 57 HB3 ASP 12 2HB ASP 12 0.308 4.896 -15.805 58 H PHE 13 H PHE 13 1.266 8.299 -14.260 59 HA PHE 13 HA PHE 13 2.340 6.542 -12.157 60 HB2 PHE 13 1HB PHE 13 3.803 7.285 -14.150 61 HB3 PHE 13 2HB PHE 13 3.823 8.863 -13.368 62 HD1 PHE 13 HD1 PHE 13 4.364 5.278 -12.480 63 HD2 PHE 13 HD2 PHE 13 5.589 9.325 -11.986 64 HE1 PHE 13 HE1 PHE 13 6.221 4.538 -11.045 65 HE2 PHE 13 HE2 PHE 13 7.448 8.591 -10.551 66 HZ PHE 13 HZ PHE 13 7.767 6.194 -10.080 67 H SER 14 H SER 14 1.278 9.803 -12.907 68 HA SER 14 HA SER 14 1.998 11.022 -10.473 69 HB2 SER 14 1HB SER 14 0.184 11.668 -12.732 70 HB3 SER 14 2HB SER 14 -0.136 12.494 -11.207 71 HG SER 14 HG SER 14 1.805 13.459 -11.301 72 HA PRO 15 HA PRO 15 -2.517 10.127 -9.005 73 HB2 PRO 15 1HB PRO 15 -4.005 8.429 -10.513 74 HB3 PRO 15 2HB PRO 15 -3.974 10.176 -10.781 75 HG2 PRO 15 1HG PRO 15 -2.493 8.011 -12.224 76 HG3 PRO 15 2HG PRO 15 -3.324 9.431 -12.886 77 HD2 PRO 15 1HD PRO 15 -0.638 9.336 -12.561 78 HD3 PRO 15 2HD PRO 15 -1.566 10.841 -12.405 79 H THR 16 H THR 16 -0.092 8.073 -9.826 80 HA THR 16 HA THR 16 -1.125 5.958 -8.055 81 HB THR 16 HB THR 16 0.135 4.289 -9.325 82 HG1 THR 16 HG1 THR 16 1.767 5.569 -10.212 83 HG21 THR 16 1HG2 THR 16 -1.161 4.630 -11.580 84 HG22 THR 16 2HG2 THR 16 -1.927 5.954 -10.703 85 HG23 THR 16 3HG2 THR 16 -2.041 4.305 -10.088 86 H LEU 17 H LEU 17 0.285 5.116 -6.555 87 HA LEU 17 HA LEU 17 3.012 6.205 -6.499 88 HB2 LEU 17 1HB LEU 17 1.237 6.031 -4.067 89 HB3 LEU 17 2HB LEU 17 2.854 6.705 -4.150 90 HG LEU 17 HG LEU 17 0.480 7.863 -5.609 91 HD11 LEU 17 1HD1 LEU 17 1.689 8.619 -2.955 92 HD12 LEU 17 2HD1 LEU 17 0.556 9.622 -3.862 93 HD13 LEU 17 3HD1 LEU 17 0.049 8.045 -3.258 94 HD21 LEU 17 1HD2 LEU 17 3.356 8.539 -5.387 95 HD22 LEU 17 2HD2 LEU 17 2.238 8.758 -6.732 96 HD23 LEU 17 3HD2 LEU 17 2.206 9.876 -5.370 97 HA PRO 18 HA PRO 18 4.076 1.986 -5.769 98 HB2 PRO 18 1HB PRO 18 6.621 2.378 -4.908 99 HB3 PRO 18 2HB PRO 18 6.147 2.532 -6.604 100 HG2 PRO 18 1HG PRO 18 6.556 4.670 -4.549 101 HG3 PRO 18 2HG PRO 18 7.066 4.637 -6.247 102 HD2 PRO 18 1HD PRO 18 4.875 5.990 -5.411 103 HD3 PRO 18 2HD PRO 18 4.980 5.241 -7.017 104 H VAL 19 H VAL 19 3.122 1.010 -4.082 105 HA VAL 19 HA VAL 19 3.927 1.821 -1.365 106 HB VAL 19 HB VAL 19 1.809 0.872 -0.566 107 HG11 VAL 19 1HG1 VAL 19 2.079 3.187 -2.276 108 HG12 VAL 19 2HG1 VAL 19 0.433 2.550 -2.305 109 HG13 VAL 19 3HG1 VAL 19 1.180 2.998 -0.771 110 HG21 VAL 19 1HG2 VAL 19 1.572 0.080 -3.415 111 HG22 VAL 19 2HG2 VAL 19 1.074 -0.776 -1.956 112 HG23 VAL 19 3HG2 VAL 19 0.097 0.555 -2.574 113 H THR 20 H THR 20 4.104 0.124 0.232 114 HA THR 20 HA THR 20 4.285 -2.616 -0.681 115 HB THR 20 HB THR 20 6.639 -2.883 0.127 116 HG1 THR 20 HG1 THR 20 7.885 -0.971 0.314 117 HG21 THR 20 1HG2 THR 20 6.153 -2.753 -2.262 118 HG22 THR 20 2HG2 THR 20 7.686 -1.961 -1.897 119 HG23 THR 20 3HG2 THR 20 6.243 -0.993 -2.196 120 H CYS 21 H CYS 21 3.818 -4.001 0.924 121 HA CYS 21 HA CYS 21 4.077 -3.077 3.700 122 HB2 CYS 21 1HB CYS 21 1.718 -2.821 2.878 123 HB3 CYS 21 2HB CYS 21 1.668 -4.563 2.639 124 HG CYS 21 HG CYS 21 2.387 -3.255 5.703 125 H GLY 22 H GLY 22 5.424 -4.421 4.692 126 HA2 GLY 22 1HA GLY 22 6.462 -6.351 5.374 127 HA3 GLY 22 2HA GLY 22 4.948 -7.162 5.003 128 H LYS 23 H LYS 23 4.844 -8.481 3.275 129 HA LYS 23 HA LYS 23 7.219 -8.585 1.534 130 HB2 LYS 23 1HB LYS 23 6.393 -11.022 1.181 131 HB3 LYS 23 2HB LYS 23 7.252 -10.617 2.661 132 HG2 LYS 23 1HG LYS 23 4.292 -10.411 2.671 133 HG3 LYS 23 2HG LYS 23 5.018 -12.019 2.681 134 HD2 LYS 23 1HD LYS 23 5.826 -9.859 4.614 135 HD3 LYS 23 2HD LYS 23 4.514 -10.992 4.946 136 HE2 LYS 23 1HE LYS 23 6.235 -12.823 4.419 137 HE3 LYS 23 2HE LYS 23 7.442 -11.551 4.598 138 HZ1 LYS 23 1HZ LYS 23 7.356 -11.869 6.772 139 HZ2 LYS 23 2HZ LYS 23 6.125 -13.017 6.607 140 HZ3 LYS 23 3HZ LYS 23 5.736 -11.380 6.787 141 H ALA 24 H ALA 24 4.441 -7.218 1.382 142 HA ALA 24 HA ALA 24 3.672 -8.290 -1.252 143 HB1 ALA 24 1HB ALA 24 2.088 -7.850 0.969 144 HB2 ALA 24 2HB ALA 24 1.760 -6.459 -0.066 145 HB3 ALA 24 3HB ALA 24 1.527 -8.093 -0.686 146 H LYS 25 H LYS 25 3.459 -6.918 -2.992 147 HA LYS 25 HA LYS 25 4.185 -4.100 -2.580 148 HB2 LYS 25 1HB LYS 25 5.282 -5.865 -4.776 149 HB3 LYS 25 2HB LYS 25 5.638 -4.159 -4.540 150 HG2 LYS 25 1HG LYS 25 6.741 -4.656 -2.435 151 HG3 LYS 25 2HG LYS 25 6.342 -6.366 -2.615 152 HD2 LYS 25 1HD LYS 25 7.814 -5.035 -4.829 153 HD3 LYS 25 2HD LYS 25 8.698 -5.390 -3.343 154 HE2 LYS 25 1HE LYS 25 9.047 -7.348 -4.455 155 HE3 LYS 25 2HE LYS 25 7.529 -7.747 -3.652 156 HZ1 LYS 25 1HZ LYS 25 7.776 -6.730 -6.432 157 HZ2 LYS 25 2HZ LYS 25 6.339 -7.176 -5.660 158 HZ3 LYS 25 3HZ LYS 25 7.511 -8.346 -6.004 159 H GLY 26 H GLY 26 3.058 -2.651 -3.779 160 HA2 GLY 26 1HA GLY 26 1.599 -3.488 -6.140 161 HA3 GLY 26 2HA GLY 26 0.589 -3.076 -4.762 162 H THR 27 H THR 27 -0.332 -1.345 -5.925 163 HA THR 27 HA THR 27 1.243 1.091 -5.766 164 HB THR 27 HB THR 27 -0.120 0.349 -8.361 165 HG1 THR 27 HG1 THR 27 1.694 -0.799 -8.505 166 HG21 THR 27 1HG2 THR 27 0.769 2.366 -9.237 167 HG22 THR 27 2HG2 THR 27 1.781 2.622 -7.814 168 HG23 THR 27 3HG2 THR 27 0.029 2.790 -7.693 169 H LEU 28 H LEU 28 0.032 2.610 -4.855 170 HA LEU 28 HA LEU 28 -2.832 2.233 -4.635 171 HB2 LEU 28 1HB LEU 28 -1.778 2.909 -2.632 172 HB3 LEU 28 2HB LEU 28 -0.881 4.182 -3.438 173 HG LEU 28 HG LEU 28 -3.348 5.090 -3.906 174 HD11 LEU 28 1HD1 LEU 28 -3.812 4.096 -1.159 175 HD12 LEU 28 2HD1 LEU 28 -4.960 4.464 -2.447 176 HD13 LEU 28 3HD1 LEU 28 -4.055 2.952 -2.479 177 HD21 LEU 28 1HD2 LEU 28 -2.577 5.719 -1.171 178 HD22 LEU 28 2HD2 LEU 28 -1.226 5.792 -2.302 179 HD23 LEU 28 3HD2 LEU 28 -2.670 6.761 -2.591 180 H PHE 29 H PHE 29 -4.378 3.369 -5.660 181 HA PHE 29 HA PHE 29 -3.487 5.436 -7.559 182 HB2 PHE 29 1HB PHE 29 -5.825 3.526 -7.688 183 HB3 PHE 29 2HB PHE 29 -5.602 4.868 -8.806 184 HD1 PHE 29 HD2 PHE 29 -3.451 2.154 -7.403 185 HD2 PHE 29 HD1 PHE 29 -4.811 4.240 -10.855 186 HE1 PHE 29 HE2 PHE 29 -2.028 0.732 -8.819 187 HE2 PHE 29 HE1 PHE 29 -3.392 2.820 -12.277 188 HZ PHE 29 HZ PHE 29 -1.997 1.064 -11.259 189 H GLN 30 H GLN 30 -3.774 7.333 -6.529 190 HA GLN 30 HA GLN 30 -5.486 8.053 -4.557 191 HB2 GLN 30 1HB GLN 30 -5.083 9.964 -6.830 192 HB3 GLN 30 2HB GLN 30 -5.082 10.281 -5.100 193 HG2 GLN 30 1HG GLN 30 -2.945 8.875 -5.036 194 HG3 GLN 30 2HG GLN 30 -2.920 9.080 -6.787 195 HE21 GLN 30 1HE2 GLN 30 -2.262 10.491 -3.762 196 HE22 GLN 30 2HE2 GLN 30 -1.724 12.031 -4.332 197 H GLU 31 H GLU 31 -6.232 7.944 -8.014 198 HA GLU 31 HA GLU 31 -8.789 9.070 -7.910 199 HB2 GLU 31 1HB GLU 31 -7.959 8.849 -10.063 200 HB3 GLU 31 2HB GLU 31 -7.403 7.204 -9.791 201 HG2 GLU 31 1HG GLU 31 -9.433 6.288 -10.249 202 HG3 GLU 31 2HG GLU 31 -10.323 7.707 -9.700 203 H LYS 32 H LYS 32 -7.723 5.723 -7.502 204 HA LYS 32 HA LYS 32 -10.443 4.811 -7.054 205 HB2 LYS 32 1HB LYS 32 -7.764 3.467 -7.220 206 HB3 LYS 32 2HB LYS 32 -9.142 2.613 -6.539 207 HG2 LYS 32 1HG LYS 32 -10.244 2.502 -8.548 208 HG3 LYS 32 2HG LYS 32 -9.423 3.923 -9.200 209 HD2 LYS 32 1HD LYS 32 -7.354 2.645 -9.400 210 HD3 LYS 32 2HD LYS 32 -8.151 1.228 -8.712 211 HE2 LYS 32 1HE LYS 32 -9.263 2.558 -11.151 212 HE3 LYS 32 2HE LYS 32 -7.907 1.441 -11.290 213 HZ1 LYS 32 1HZ LYS 32 -9.199 -0.324 -10.828 214 HZ2 LYS 32 2HZ LYS 32 -10.450 0.678 -11.368 215 HZ3 LYS 32 3HZ LYS 32 -10.158 0.509 -9.710 216 H LEU 33 H LEU 33 -8.286 6.430 -5.227 217 HA LEU 33 HA LEU 33 -8.787 4.956 -2.752 218 HB2 LEU 33 1HB LEU 33 -6.500 5.741 -3.229 219 HB3 LEU 33 2HB LEU 33 -7.081 7.396 -3.256 220 HG LEU 33 HG LEU 33 -7.662 7.260 -0.890 221 HD11 LEU 33 1HD1 LEU 33 -6.898 4.400 -1.267 222 HD12 LEU 33 2HD1 LEU 33 -6.668 5.169 0.304 223 HD13 LEU 33 3HD1 LEU 33 -8.277 5.095 -0.414 224 HD21 LEU 33 1HD2 LEU 33 -5.594 7.972 -0.531 225 HD22 LEU 33 2HD2 LEU 33 -5.042 6.301 -0.429 226 HD23 LEU 33 3HD2 LEU 33 -5.036 7.137 -1.981 227 H LYS 34 H LYS 34 -9.465 8.044 -4.299 228 HA LYS 34 HA LYS 34 -10.559 9.478 -2.218 229 HB2 LYS 34 1HB LYS 34 -11.448 9.369 -5.105 230 HB3 LYS 34 2HB LYS 34 -11.977 10.589 -3.955 231 HG2 LYS 34 1HG LYS 34 -9.746 11.431 -3.727 232 HG3 LYS 34 2HG LYS 34 -9.102 10.111 -4.706 233 HD2 LYS 34 1HD LYS 34 -9.206 11.890 -6.205 234 HD3 LYS 34 2HD LYS 34 -10.689 10.992 -6.539 235 HE2 LYS 34 1HE LYS 34 -11.220 13.327 -6.452 236 HE3 LYS 34 2HE LYS 34 -11.899 12.549 -5.024 237 HZ1 LYS 34 1HZ LYS 34 -9.258 13.494 -4.541 238 HZ2 LYS 34 2HZ LYS 34 -10.688 13.838 -3.706 239 HZ3 LYS 34 3HZ LYS 34 -10.263 14.749 -5.066 240 H GLN 35 H GLN 35 -12.452 7.517 -4.526 241 HA GLN 35 HA GLN 35 -14.926 7.611 -3.544 242 HB2 GLN 35 1HB GLN 35 -13.446 5.101 -4.337 243 HB3 GLN 35 2HB GLN 35 -15.188 5.177 -4.108 244 HG2 GLN 35 1HG GLN 35 -14.885 5.382 -6.408 245 HG3 GLN 35 2HG GLN 35 -15.174 7.029 -5.850 246 HE21 GLN 35 1HE2 GLN 35 -12.989 4.881 -7.363 247 HE22 GLN 35 2HE2 GLN 35 -11.721 6.016 -7.660 248 H GLY 36 H GLY 36 -12.474 5.386 -2.210 249 HA2 GLY 36 1HA GLY 36 -13.078 5.838 0.470 250 HA3 GLY 36 2HA GLY 36 -14.092 4.504 -0.060 251 H ALA 37 H ALA 37 -12.105 4.315 1.942 252 HA ALA 37 HA ALA 37 -9.753 3.106 0.812 253 HB1 ALA 37 1HB ALA 37 -9.629 2.375 3.390 254 HB2 ALA 37 2HB ALA 37 -9.144 3.969 2.810 255 HB3 ALA 37 3HB ALA 37 -10.741 3.738 3.521 256 H SER 38 H SER 38 -12.699 2.031 0.602 257 HA SER 38 HA SER 38 -12.117 -0.729 1.437 258 HB2 SER 38 1HB SER 38 -14.230 0.487 2.253 259 HB3 SER 38 2HB SER 38 -14.824 0.304 0.602 260 HG SER 38 HG SER 38 -15.508 -1.440 1.849 261 H LYS 39 H LYS 39 -12.568 1.320 -1.275 262 HA LYS 39 HA LYS 39 -13.226 -0.779 -3.137 263 HB2 LYS 39 1HB LYS 39 -12.295 2.045 -3.685 264 HB3 LYS 39 2HB LYS 39 -13.032 0.949 -4.846 265 HG2 LYS 39 1HG LYS 39 -14.457 1.805 -2.349 266 HG3 LYS 39 2HG LYS 39 -14.506 2.758 -3.835 267 HD2 LYS 39 1HD LYS 39 -15.191 -0.162 -3.843 268 HD3 LYS 39 2HD LYS 39 -16.392 1.053 -3.400 269 HE2 LYS 39 1HE LYS 39 -15.685 2.199 -5.613 270 HE3 LYS 39 2HE LYS 39 -15.010 0.623 -6.022 271 HZ1 LYS 39 1HZ LYS 39 -17.829 1.357 -5.561 272 HZ2 LYS 39 2HZ LYS 39 -17.320 -0.247 -5.394 273 HZ3 LYS 39 3HZ LYS 39 -17.145 0.545 -6.879 274 H LYS 40 H LYS 40 -11.886 -1.843 -4.514 275 HA LYS 40 HA LYS 40 -9.212 -2.235 -3.828 276 HB2 LYS 40 1HB LYS 40 -10.410 -2.725 -6.557 277 HB3 LYS 40 2HB LYS 40 -9.023 -3.538 -5.843 278 HG2 LYS 40 1HG LYS 40 -11.605 -3.703 -4.395 279 HG3 LYS 40 2HG LYS 40 -11.435 -4.627 -5.890 280 HD2 LYS 40 1HD LYS 40 -9.289 -5.550 -4.936 281 HD3 LYS 40 2HD LYS 40 -9.747 -4.807 -3.402 282 HE2 LYS 40 1HE LYS 40 -10.607 -6.909 -3.113 283 HE3 LYS 40 2HE LYS 40 -11.999 -6.095 -3.825 284 HZ1 LYS 40 1HZ LYS 40 -10.026 -7.618 -5.428 285 HZ2 LYS 40 2HZ LYS 40 -11.541 -7.051 -5.920 286 HZ3 LYS 40 3HZ LYS 40 -11.435 -8.313 -4.799 287 H CYS 41 H CYS 41 -7.839 -0.543 -3.783 288 HA CYS 41 HA CYS 41 -7.578 1.060 -6.241 289 HB2 CYS 41 1HB CYS 41 -6.595 2.825 -4.780 290 HB3 CYS 41 2HB CYS 41 -8.273 2.459 -4.401 291 HG CYS 41 HG CYS 41 -7.865 2.070 -1.906 292 H ILE 42 H ILE 42 -5.968 -0.927 -3.902 293 HA ILE 42 HA ILE 42 -3.313 -0.275 -4.855 294 HB ILE 42 HB ILE 42 -4.229 -2.418 -2.934 295 HG12 ILE 42 1HG1 ILE 42 -2.778 0.156 -2.315 296 HG13 ILE 42 2HG1 ILE 42 -4.533 0.022 -2.275 297 HG21 ILE 42 1HG2 ILE 42 -1.484 -1.520 -3.772 298 HG22 ILE 42 2HG2 ILE 42 -1.788 -2.425 -2.290 299 HG23 ILE 42 3HG2 ILE 42 -2.174 -3.141 -3.855 300 HD11 ILE 42 1HD1 ILE 42 -2.757 -1.777 -0.664 301 HD12 ILE 42 2HD1 ILE 42 -3.309 -0.209 -0.075 302 HD13 ILE 42 3HD1 ILE 42 -4.481 -1.468 -0.466 303 H GLN 43 H GLN 43 -2.593 -1.062 -6.713 304 HA GLN 43 HA GLN 43 -3.608 -3.640 -7.670 305 HB2 GLN 43 1HB GLN 43 -3.603 -1.447 -9.067 306 HB3 GLN 43 2HB GLN 43 -1.891 -1.785 -9.287 307 HG2 GLN 43 1HG GLN 43 -2.507 -4.009 -10.200 308 HG3 GLN 43 2HG GLN 43 -4.201 -3.530 -10.103 309 HE21 GLN 43 1HE2 GLN 43 -4.762 -3.385 -12.183 310 HE22 GLN 43 2HE2 GLN 43 -3.996 -2.365 -13.348 311 H ASN 44 H ASN 44 -2.399 -5.395 -7.458 312 HA ASN 44 HA ASN 44 0.306 -5.232 -6.522 313 HB2 ASN 44 1HB ASN 44 0.231 -7.656 -6.447 314 HB3 ASN 44 2HB ASN 44 -1.270 -7.009 -5.790 315 HD21 ASN 44 1HD2 ASN 44 -1.614 -9.438 -6.362 316 HD22 ASN 44 2HD2 ASN 44 -2.369 -9.715 -7.891 317 H GLU 45 H GLU 45 1.957 -6.783 -7.606 318 HA GLU 45 HA GLU 45 2.684 -5.700 -10.072 319 HB2 GLU 45 1HB GLU 45 3.612 -8.439 -9.316 320 HB3 GLU 45 2HB GLU 45 4.522 -7.103 -10.006 321 HG2 GLU 45 1HG GLU 45 5.354 -7.060 -7.901 322 HG3 GLU 45 2HG GLU 45 3.971 -5.991 -7.676 323 H ALA 46 H ALA 46 0.606 -8.361 -9.295 324 HA ALA 46 HA ALA 46 0.661 -9.541 -11.918 325 HB1 ALA 46 1HB ALA 46 -0.304 -10.277 -9.366 326 HB2 ALA 46 2HB ALA 46 -1.675 -10.300 -10.476 327 HB3 ALA 46 3HB ALA 46 -0.235 -11.254 -10.833 328 H GLY 47 H GLY 47 -0.787 -6.804 -10.604 329 HA2 GLY 47 1HA GLY 47 -1.998 -5.259 -11.938 330 HA3 GLY 47 2HA GLY 47 -2.544 -6.594 -12.942 331 H ASP 48 H ASP 48 -3.133 -8.085 -10.336 332 HA ASP 48 HA ASP 48 -5.889 -7.453 -10.227 333 HB2 ASP 48 1HB ASP 48 -4.108 -9.187 -8.522 334 HB3 ASP 48 2HB ASP 48 -5.825 -8.993 -8.180 335 H TRP 49 H TRP 49 -6.932 -5.954 -9.102 336 HA TRP 49 HA TRP 49 -5.501 -4.197 -7.342 337 HB2 TRP 49 1HB TRP 49 -8.454 -4.321 -7.993 338 HB3 TRP 49 2HB TRP 49 -7.645 -3.005 -7.145 339 HD1 TRP 49 HD1 TRP 49 -7.718 -4.666 -10.634 340 HE1 TRP 49 HE1 TRP 49 -7.015 -2.904 -12.373 341 HE3 TRP 49 HE3 TRP 49 -6.503 -0.841 -7.467 342 HZ2 TRP 49 HZ2 TRP 49 -6.070 -0.244 -12.399 343 HZ3 TRP 49 HZ3 TRP 49 -5.707 1.279 -8.430 344 HH2 TRP 49 HH2 TRP 49 -5.495 1.569 -10.845 345 H LEU 50 H LEU 50 -6.163 -3.695 -5.148 346 HA LEU 50 HA LEU 50 -7.658 -5.762 -3.738 347 HB2 LEU 50 1HB LEU 50 -4.825 -5.015 -3.005 348 HB3 LEU 50 2HB LEU 50 -5.878 -6.050 -2.060 349 HG LEU 50 HG LEU 50 -5.317 -6.817 -4.886 350 HD11 LEU 50 1HD1 LEU 50 -3.424 -7.880 -2.914 351 HD12 LEU 50 2HD1 LEU 50 -3.174 -7.406 -4.594 352 HD13 LEU 50 3HD1 LEU 50 -3.195 -6.181 -3.326 353 HD21 LEU 50 1HD2 LEU 50 -6.312 -8.689 -4.231 354 HD22 LEU 50 2HD2 LEU 50 -5.146 -8.894 -2.925 355 HD23 LEU 50 3HD2 LEU 50 -6.610 -7.948 -2.659 356 H THR 51 H THR 51 -8.584 -5.072 -1.828 357 HA THR 51 HA THR 51 -8.965 -2.260 -1.559 358 HB THR 51 HB THR 51 -10.320 -2.848 0.440 359 HG1 THR 51 HG1 THR 51 -8.965 -5.225 0.113 360 HG21 THR 51 1HG2 THR 51 -11.170 -2.961 -1.957 361 HG22 THR 51 2HG2 THR 51 -12.091 -3.860 -0.751 362 HG23 THR 51 3HG2 THR 51 -10.985 -4.709 -1.830 363 H VAL 52 H VAL 52 -8.267 -0.860 0.024 364 HA VAL 52 HA VAL 52 -5.766 -0.812 0.942 365 HB VAL 52 HB VAL 52 -8.161 0.090 2.547 366 HG11 VAL 52 1HG1 VAL 52 -6.743 1.405 3.866 367 HG12 VAL 52 2HG1 VAL 52 -5.926 -0.156 3.770 368 HG13 VAL 52 3HG1 VAL 52 -5.378 1.190 2.771 369 HG21 VAL 52 1HG2 VAL 52 -6.378 1.717 0.747 370 HG22 VAL 52 2HG2 VAL 52 -7.898 0.999 0.215 371 HG23 VAL 52 3HG2 VAL 52 -7.896 2.209 1.498 372 H LYS 53 H LYS 53 -8.345 -2.723 2.335 373 HA LYS 53 HA LYS 53 -6.836 -3.506 4.654 374 HB2 LYS 53 1HB LYS 53 -9.330 -3.392 4.603 375 HB3 LYS 53 2HB LYS 53 -9.332 -4.767 3.506 376 HG2 LYS 53 1HG LYS 53 -7.897 -5.048 6.090 377 HG3 LYS 53 2HG LYS 53 -9.662 -5.056 6.106 378 HD2 LYS 53 1HD LYS 53 -9.300 -6.768 4.114 379 HD3 LYS 53 2HD LYS 53 -7.756 -7.015 4.933 380 HE2 LYS 53 1HE LYS 53 -9.125 -8.599 5.929 381 HE3 LYS 53 2HE LYS 53 -9.197 -7.254 7.066 382 HZ1 LYS 53 1HZ LYS 53 -11.330 -6.703 6.407 383 HZ2 LYS 53 2HZ LYS 53 -11.369 -8.394 6.372 384 HZ3 LYS 53 3HZ LYS 53 -11.213 -7.522 4.931 385 H GLU 54 H GLU 54 -7.949 -5.207 1.723 386 HA GLU 54 HA GLU 54 -6.837 -7.667 2.104 387 HB2 GLU 54 1HB GLU 54 -7.208 -6.015 -0.372 388 HB3 GLU 54 2HB GLU 54 -6.434 -7.590 -0.471 389 HG2 GLU 54 1HG GLU 54 -9.023 -7.410 0.960 390 HG3 GLU 54 2HG GLU 54 -9.035 -7.276 -0.797 391 H PHE 55 H PHE 55 -5.191 -5.070 0.291 392 HA PHE 55 HA PHE 55 -2.768 -6.078 -0.174 393 HB2 PHE 55 1HB PHE 55 -3.490 -3.697 -0.560 394 HB3 PHE 55 2HB PHE 55 -3.081 -3.366 1.120 395 HD1 PHE 55 HD1 PHE 55 -1.416 -5.214 -1.665 396 HD2 PHE 55 HD2 PHE 55 -1.133 -2.181 1.307 397 HE1 PHE 55 HE1 PHE 55 0.917 -4.792 -2.322 398 HE2 PHE 55 HE2 PHE 55 1.200 -1.753 0.654 399 HZ PHE 55 HZ PHE 55 2.228 -3.059 -1.163 400 H LEU 56 H LEU 56 -3.830 -4.919 2.998 401 HA LEU 56 HA LEU 56 -1.412 -5.260 4.367 402 HB2 LEU 56 1HB LEU 56 -4.142 -5.676 5.570 403 HB3 LEU 56 2HB LEU 56 -2.684 -5.132 6.380 404 HG LEU 56 HG LEU 56 -4.182 -3.556 4.285 405 HD11 LEU 56 1HD1 LEU 56 -4.847 -2.119 6.163 406 HD12 LEU 56 2HD1 LEU 56 -5.495 -3.753 6.310 407 HD13 LEU 56 3HD1 LEU 56 -4.108 -3.263 7.283 408 HD21 LEU 56 1HD2 LEU 56 -1.635 -3.159 5.748 409 HD22 LEU 56 2HD2 LEU 56 -2.102 -2.657 4.124 410 HD23 LEU 56 3HD2 LEU 56 -2.675 -1.752 5.524 411 H ASN 57 H ASN 57 -4.220 -7.455 4.219 412 HA ASN 57 HA ASN 57 -3.247 -9.561 5.678 413 HB2 ASN 57 1HB ASN 57 -5.514 -9.199 4.350 414 HB3 ASN 57 2HB ASN 57 -4.701 -10.197 3.148 415 HD21 ASN 57 1HD2 ASN 57 -6.993 -10.551 5.144 416 HD22 ASN 57 2HD2 ASN 57 -6.647 -12.073 5.885 417 H GLU 58 H GLU 58 -2.619 -8.818 2.278 418 HA GLU 58 HA GLU 58 -1.278 -11.111 1.513 419 HB2 GLU 58 1HB GLU 58 -1.202 -8.264 0.662 420 HB3 GLU 58 2HB GLU 58 0.113 -9.297 0.120 421 HG2 GLU 58 1HG GLU 58 -2.787 -9.975 -0.275 422 HG3 GLU 58 2HG GLU 58 -1.825 -9.085 -1.454 423 H GLY 59 H GLY 59 -0.138 -8.398 3.426 424 HA2 GLY 59 1HA GLY 59 2.578 -9.481 3.478 425 HA3 GLY 59 2HA GLY 59 2.061 -7.941 4.150 426 H GLY 60 H GLY 60 -0.160 -8.951 5.646 427 HA2 GLY 60 1HA GLY 60 -0.444 -10.707 7.368 428 HA3 GLY 60 2HA GLY 60 1.279 -10.547 7.676 429 H ARG 61 H ARG 61 -0.876 -7.838 7.093 430 HA ARG 61 HA ARG 61 -0.500 -7.030 9.903 431 HB2 ARG 61 1HB ARG 61 -0.463 -5.424 7.364 432 HB3 ARG 61 2HB ARG 61 -0.836 -4.663 8.904 433 HG2 ARG 61 1HG ARG 61 1.678 -6.225 8.362 434 HG3 ARG 61 2HG ARG 61 1.542 -4.472 8.210 435 HD2 ARG 61 1HD ARG 61 0.907 -4.324 10.573 436 HD3 ARG 61 2HD ARG 61 1.058 -6.075 10.719 437 HE ARG 61 HE ARG 61 3.429 -4.701 9.791 438 HH11 ARG 61 1HH1 ARG 61 1.667 -5.959 12.516 439 HH12 ARG 61 2HH1 ARG 61 3.064 -6.070 13.535 440 HH21 ARG 61 1HH2 ARG 61 5.276 -4.842 11.122 441 HH22 ARG 61 2HH2 ARG 61 5.116 -5.434 12.741 442 H ALA 62 H ALA 62 -2.708 -8.500 8.361 443 HA ALA 62 HA ALA 62 -4.993 -7.022 8.036 444 HB1 ALA 62 1HB ALA 62 -4.693 -9.487 7.632 445 HB2 ALA 62 2HB ALA 62 -4.974 -9.726 9.357 446 HB3 ALA 62 3HB ALA 62 -6.235 -9.018 8.348 447 H THR 63 H THR 63 -3.621 -8.237 11.059 448 HA THR 63 HA THR 63 -5.740 -7.557 12.762 449 HB THR 63 HB THR 63 -3.923 -9.003 13.506 450 HG1 THR 63 HG1 THR 63 -4.276 -6.581 14.955 451 HG21 THR 63 1HG2 THR 63 -2.156 -7.587 12.280 452 HG22 THR 63 2HG2 THR 63 -1.711 -8.306 13.827 453 HG23 THR 63 3HG2 THR 63 -2.140 -6.598 13.740 454 H SER 64 H SER 64 -2.947 -5.685 11.663 455 HA SER 64 HA SER 64 -3.324 -3.444 13.311 456 HB2 SER 64 1HB SER 64 -1.944 -3.886 10.681 457 HB3 SER 64 2HB SER 64 -2.091 -2.256 11.339 458 HG SER 64 HG SER 64 -0.874 -2.832 13.065 459 H LYS 65 H LYS 65 -4.649 -1.731 13.219 460 HA LYS 65 HA LYS 65 -6.828 -1.778 11.328 461 HB2 LYS 65 1HB LYS 65 -6.191 0.155 13.565 462 HB3 LYS 65 2HB LYS 65 -7.682 0.145 12.631 463 HG2 LYS 65 1HG LYS 65 -8.201 -2.086 13.469 464 HG3 LYS 65 2HG LYS 65 -6.698 -2.089 14.396 465 HD2 LYS 65 1HD LYS 65 -7.485 -0.585 15.935 466 HD3 LYS 65 2HD LYS 65 -8.597 0.169 14.790 467 HE2 LYS 65 1HE LYS 65 -10.129 -1.645 14.965 468 HE3 LYS 65 2HE LYS 65 -8.969 -2.618 15.867 469 HZ1 LYS 65 1HZ LYS 65 -9.090 -0.676 17.543 470 HZ2 LYS 65 2HZ LYS 65 -10.337 -1.818 17.515 471 HZ3 LYS 65 3HZ LYS 65 -10.554 -0.312 16.777 472 H ASP 66 H ASP 66 -4.524 0.762 12.320 473 HA ASP 66 HA ASP 66 -5.070 2.507 10.205 474 HB2 ASP 66 1HB ASP 66 -2.434 2.215 11.658 475 HB3 ASP 66 2HB ASP 66 -3.015 3.641 10.803 476 H TRP 67 H TRP 67 -4.938 1.976 8.124 477 HA TRP 67 HA TRP 67 -3.055 0.037 7.151 478 HB2 TRP 67 1HB TRP 67 -4.033 0.582 4.926 479 HB3 TRP 67 2HB TRP 67 -5.245 0.148 6.129 480 HD1 TRP 67 HD1 TRP 67 -6.734 2.212 7.140 481 HE1 TRP 67 HE1 TRP 67 -7.429 4.438 6.052 482 HE3 TRP 67 HE3 TRP 67 -3.318 2.360 3.338 483 HZ2 TRP 67 HZ2 TRP 67 -6.636 6.045 3.870 484 HZ3 TRP 67 HZ3 TRP 67 -3.354 4.276 1.795 485 HH2 TRP 67 HH2 TRP 67 -4.980 6.079 2.057 486 H LYS 68 H LYS 68 -3.302 3.527 7.219 487 HA LYS 68 HA LYS 68 -1.301 4.107 5.317 488 HB2 LYS 68 1HB LYS 68 -2.278 5.697 7.694 489 HB3 LYS 68 2HB LYS 68 -1.199 6.330 6.459 490 HG2 LYS 68 1HG LYS 68 -2.894 6.063 4.772 491 HG3 LYS 68 2HG LYS 68 -3.968 5.274 5.928 492 HD2 LYS 68 1HD LYS 68 -3.603 7.507 7.279 493 HD3 LYS 68 2HD LYS 68 -3.216 8.147 5.680 494 HE2 LYS 68 1HE LYS 68 -5.371 7.398 4.839 495 HE3 LYS 68 2HE LYS 68 -5.753 6.685 6.405 496 HZ1 LYS 68 1HZ LYS 68 -6.354 8.653 7.227 497 HZ2 LYS 68 2HZ LYS 68 -6.413 9.188 5.624 498 HZ3 LYS 68 3HZ LYS 68 -5.028 9.463 6.556 499 H GLY 69 H GLY 69 -1.163 3.066 8.616 500 HA2 GLY 69 1HA GLY 69 1.587 3.894 8.999 501 HA3 GLY 69 2HA GLY 69 0.607 2.966 10.126 502 H VAL 70 H VAL 70 -0.139 0.822 8.551 503 HA VAL 70 HA VAL 70 2.184 -0.800 8.696 504 HB VAL 70 HB VAL 70 0.792 -2.583 7.752 505 HG11 VAL 70 1HG1 VAL 70 0.578 -2.312 10.086 506 HG12 VAL 70 2HG1 VAL 70 -0.436 -0.879 9.905 507 HG13 VAL 70 3HG1 VAL 70 -1.067 -2.469 9.470 508 HG21 VAL 70 1HG2 VAL 70 -1.090 -0.312 7.201 509 HG22 VAL 70 2HG2 VAL 70 -0.504 -1.555 6.096 510 HG23 VAL 70 3HG2 VAL 70 -1.666 -1.972 7.355 511 H ILE 71 H ILE 71 0.445 0.725 6.034 512 HA ILE 71 HA ILE 71 2.106 -0.503 4.020 513 HB ILE 71 HB ILE 71 0.173 1.797 3.717 514 HG12 ILE 71 1HG1 ILE 71 -0.284 -1.159 3.260 515 HG13 ILE 71 2HG1 ILE 71 -0.894 -0.247 4.636 516 HG21 ILE 71 1HG2 ILE 71 0.371 0.223 1.384 517 HG22 ILE 71 2HG2 ILE 71 0.892 1.890 1.621 518 HG23 ILE 71 3HG2 ILE 71 2.015 0.564 1.920 519 HD11 ILE 71 1HD1 ILE 71 -1.676 1.080 2.246 520 HD12 ILE 71 2HD1 ILE 71 -2.095 -0.629 2.121 521 HD13 ILE 71 3HD1 ILE 71 -2.683 0.326 3.482 522 H ARG 72 H ARG 72 3.732 0.442 2.842 523 HA ARG 72 HA ARG 72 4.561 3.154 3.610 524 HB2 ARG 72 1HB ARG 72 6.393 0.758 3.387 525 HB3 ARG 72 2HB ARG 72 6.913 2.416 3.658 526 HG2 ARG 72 1HG ARG 72 5.500 2.371 5.758 527 HG3 ARG 72 2HG ARG 72 5.371 0.628 5.511 528 HD2 ARG 72 1HD ARG 72 7.784 0.410 5.611 529 HD3 ARG 72 2HD ARG 72 7.958 2.158 5.759 530 HE ARG 72 HE ARG 72 7.364 2.009 7.979 531 HH11 ARG 72 1HH1 ARG 72 6.789 -1.034 6.387 532 HH12 ARG 72 2HH1 ARG 72 6.506 -1.900 7.861 533 HH21 ARG 72 1HH2 ARG 72 6.992 0.879 9.926 534 HH22 ARG 72 2HH2 ARG 72 6.620 -0.811 9.873 535 H CYS 73 H CYS 73 5.335 4.401 1.977 536 HA CYS 73 HA CYS 73 4.987 3.393 -0.713 537 HB2 CYS 73 1HB CYS 73 4.115 5.593 -0.225 538 HB3 CYS 73 2HB CYS 73 5.689 6.136 0.346 539 HG CYS 73 HG CYS 73 4.507 5.918 -2.782 540 H ASN 74 H ASN 74 7.582 5.364 0.735 541 HA ASN 74 HA ASN 74 9.514 3.785 -0.834 542 HB2 ASN 74 1HB ASN 74 9.280 6.717 -0.345 543 HB3 ASN 74 2HB ASN 74 10.898 6.031 -0.459 544 HD21 ASN 74 1HD2 ASN 74 7.989 6.805 -2.143 545 HD22 ASN 74 2HD2 ASN 74 8.571 6.474 -3.736 546 H GLY 75 H GLY 75 8.433 3.638 2.038 547 HA2 GLY 75 1HA GLY 75 9.981 2.376 3.564 548 HA3 GLY 75 2HA GLY 75 11.056 3.756 3.395 549 H GLU 76 H GLU 76 8.202 5.205 3.369 550 HA GLU 76 HA GLU 76 8.075 5.413 6.307 551 HB2 GLU 76 1HB GLU 76 7.819 7.514 4.170 552 HB3 GLU 76 2HB GLU 76 7.144 7.761 5.774 553 HG2 GLU 76 1HG GLU 76 9.401 8.744 5.434 554 HG3 GLU 76 2HG GLU 76 9.288 7.621 6.788 555 H THR 77 H THR 77 5.942 6.159 7.137 556 HA THR 77 HA THR 77 3.860 4.522 6.023 557 HB THR 77 HB THR 77 2.495 5.302 7.912 558 HG1 THR 77 HG1 THR 77 4.556 7.185 8.082 559 HG21 THR 77 1HG2 THR 77 3.612 4.093 9.525 560 HG22 THR 77 2HG2 THR 77 5.182 4.779 9.106 561 HG23 THR 77 3HG2 THR 77 4.449 3.555 8.070 562 H LEU 78 H LEU 78 2.190 5.114 4.775 563 HA LEU 78 HA LEU 78 2.097 7.267 3.169 564 HB2 LEU 78 1HB LEU 78 -0.243 5.842 4.430 565 HB3 LEU 78 2HB LEU 78 -0.409 6.993 3.117 566 HG LEU 78 HG LEU 78 1.250 4.482 2.918 567 HD11 LEU 78 1HD1 LEU 78 -0.535 3.342 1.988 568 HD12 LEU 78 2HD1 LEU 78 -1.294 4.220 3.316 569 HD13 LEU 78 3HD1 LEU 78 -1.442 4.819 1.664 570 HD21 LEU 78 1HD2 LEU 78 1.324 4.918 0.597 571 HD22 LEU 78 2HD2 LEU 78 0.108 6.188 0.721 572 HD23 LEU 78 3HD2 LEU 78 1.718 6.443 1.391 573 H ARG 79 H ARG 79 0.773 7.136 6.448 574 HA ARG 79 HA ARG 79 -0.501 9.592 6.545 575 HB2 ARG 79 1HB ARG 79 -0.737 8.037 8.358 576 HB3 ARG 79 2HB ARG 79 0.988 8.089 8.698 577 HG2 ARG 79 1HG ARG 79 -0.538 10.629 8.853 578 HG3 ARG 79 2HG ARG 79 -0.760 9.439 10.137 579 HD2 ARG 79 1HD ARG 79 1.835 10.689 9.247 580 HD3 ARG 79 2HD ARG 79 0.987 10.976 10.766 581 HE ARG 79 HE ARG 79 2.631 8.694 10.086 582 HH11 ARG 79 1HH1 ARG 79 0.230 10.025 12.228 583 HH12 ARG 79 2HH1 ARG 79 0.582 8.924 13.519 584 HH21 ARG 79 1HH2 ARG 79 3.103 7.238 11.778 585 HH22 ARG 79 2HH2 ARG 79 2.217 7.340 13.262 586 H HIS 80 H HIS 80 2.900 8.838 7.244 587 HA HIS 80 HA HIS 80 3.733 11.381 8.010 588 HB2 HIS 80 1HB HIS 80 5.132 9.388 8.272 589 HB3 HIS 80 2HB HIS 80 5.300 9.261 6.524 590 HD1 HIS 80 HD1 HIS 80 6.786 10.829 9.473 591 HD2 HIS 80 HD2 HIS 80 6.837 11.437 5.363 592 HE1 HIS 80 HE1 HIS 80 8.757 12.330 9.039 593 HE2 HIS 80 HE2 HIS 80 8.716 12.753 6.557 594 H LEU 81 H LEU 81 3.588 9.928 4.778 595 HA LEU 81 HA LEU 81 4.752 12.041 3.360 596 HB2 LEU 81 1HB LEU 81 2.580 10.194 2.371 597 HB3 LEU 81 2HB LEU 81 3.726 11.086 1.388 598 HG LEU 81 HG LEU 81 4.470 8.880 3.310 599 HD11 LEU 81 1HD1 LEU 81 3.585 8.858 0.514 600 HD12 LEU 81 2HD1 LEU 81 5.080 7.975 0.826 601 HD13 LEU 81 3HD1 LEU 81 3.612 7.563 1.712 602 HD21 LEU 81 1HD2 LEU 81 6.569 9.540 3.037 603 HD22 LEU 81 2HD2 LEU 81 6.404 9.396 1.288 604 HD23 LEU 81 3HD2 LEU 81 6.009 10.916 2.088 605 H GLU 82 H GLU 82 1.378 11.429 4.242 606 HA GLU 82 HA GLU 82 0.217 13.548 2.830 607 HB2 GLU 82 1HB GLU 82 -0.982 11.636 3.960 608 HB3 GLU 82 2HB GLU 82 -0.738 12.476 5.485 609 HG2 GLU 82 1HG GLU 82 -1.895 14.460 4.272 610 HG3 GLU 82 2HG GLU 82 -2.485 13.207 3.183 611 H GLN 83 H GLN 83 1.672 13.417 6.040 612 HA GLN 83 HA GLN 83 0.921 16.042 6.817 613 HB2 GLN 83 1HB GLN 83 3.200 14.318 7.804 614 HB3 GLN 83 2HB GLN 83 2.598 15.767 8.599 615 HG2 GLN 83 1HG GLN 83 0.833 13.405 8.058 616 HG3 GLN 83 2HG GLN 83 1.833 13.518 9.505 617 HE21 GLN 83 1HE2 GLN 83 -0.512 13.310 10.295 618 HE22 GLN 83 2HE2 GLN 83 -1.315 14.799 10.644 619 H LYS 84 H LYS 84 3.578 14.722 4.988 620 HA LYS 84 HA LYS 84 5.149 17.139 5.099 621 HB2 LYS 84 1HB LYS 84 5.459 14.739 3.288 622 HB3 LYS 84 2HB LYS 84 6.657 15.996 3.567 623 HG2 LYS 84 1HG LYS 84 5.620 14.378 5.854 624 HG3 LYS 84 2HG LYS 84 6.872 13.728 4.792 625 HD2 LYS 84 1HD LYS 84 7.135 16.443 6.047 626 HD3 LYS 84 2HD LYS 84 7.612 14.979 6.911 627 HE2 LYS 84 1HE LYS 84 9.294 14.478 5.363 628 HE3 LYS 84 2HE LYS 84 8.620 15.559 4.145 629 HZ1 LYS 84 1HZ LYS 84 9.214 17.087 6.400 630 HZ2 LYS 84 2HZ LYS 84 9.959 17.139 4.883 631 HZ3 LYS 84 3HZ LYS 84 10.566 16.119 6.088 632 H GLY 85 H GLY 85 2.316 16.621 3.711 633 HA2 GLY 85 1HA GLY 85 1.166 17.710 2.046 634 HA3 GLY 85 2HA GLY 85 2.569 18.752 1.859 635 H LEU 86 H LEU 86 3.084 15.366 1.557 636 HA LEU 86 HA LEU 86 3.569 15.724 -1.307 637 HB2 LEU 86 1HB LEU 86 4.313 13.310 0.322 638 HB3 LEU 86 2HB LEU 86 5.001 13.849 -1.198 639 HG LEU 86 HG LEU 86 5.285 15.576 1.228 640 HD11 LEU 86 1HD1 LEU 86 7.031 14.386 2.123 641 HD12 LEU 86 2HD1 LEU 86 5.964 13.080 1.608 642 HD13 LEU 86 3HD1 LEU 86 7.356 13.523 0.621 643 HD21 LEU 86 1HD2 LEU 86 5.982 16.509 -0.875 644 HD22 LEU 86 2HD2 LEU 86 7.414 16.139 0.086 645 HD23 LEU 86 3HD2 LEU 86 6.943 15.076 -1.239 646 H LEU 87 H LEU 87 1.896 13.560 0.947 647 HA LEU 87 HA LEU 87 0.480 12.340 -1.316 648 HB2 LEU 87 1HB LEU 87 1.634 10.872 0.344 649 HB3 LEU 87 2HB LEU 87 0.528 11.462 1.571 650 HG LEU 87 HG LEU 87 -1.319 10.600 -0.071 651 HD11 LEU 87 1HD1 LEU 87 -0.520 9.680 -1.932 652 HD12 LEU 87 2HD1 LEU 87 1.128 9.659 -1.304 653 HD13 LEU 87 3HD1 LEU 87 0.022 8.339 -0.922 654 HD21 LEU 87 1HD2 LEU 87 -1.603 9.051 1.502 655 HD22 LEU 87 2HD2 LEU 87 -0.101 8.235 1.068 656 HD23 LEU 87 3HD2 LEU 87 -0.074 9.592 2.194 657 H PHE 88 H PHE 88 -1.795 12.154 -1.308 658 HA PHE 88 HA PHE 88 -3.115 14.327 0.142 659 HB2 PHE 88 1HB PHE 88 -4.657 14.435 -1.570 660 HB3 PHE 88 2HB PHE 88 -3.246 13.855 -2.449 661 HD1 PHE 88 HD1 PHE 88 -3.070 11.105 -2.155 662 HD2 PHE 88 HD2 PHE 88 -6.608 13.469 -2.255 663 HE1 PHE 88 HE1 PHE 88 -4.351 9.149 -2.922 664 HE2 PHE 88 HE2 PHE 88 -7.895 11.517 -3.021 665 HZ PHE 88 HZ PHE 88 -6.767 9.353 -3.355 666 H SER 89 H SER 89 -3.202 10.849 -0.302 667 HA SER 89 HA SER 89 -4.363 9.184 0.735 668 HB2 SER 89 1HB SER 89 -3.053 9.965 2.649 669 HB3 SER 89 2HB SER 89 -4.284 11.172 3.019 670 HG SER 89 HG SER 89 -4.245 8.936 4.108 671 H GLY 90 H GLY 90 -5.953 10.843 -0.864 672 HA2 GLY 90 1HA GLY 90 -8.299 10.588 -1.220 673 HA3 GLY 90 2HA GLY 90 -8.525 10.535 0.522 674 HA PRO 91 HA PRO 91 -9.595 14.785 -1.123 675 HB2 PRO 91 1HB PRO 91 -12.120 14.836 -0.126 676 HB3 PRO 91 2HB PRO 91 -11.730 14.183 -1.721 677 HG2 PRO 91 1HG PRO 91 -12.186 12.735 0.859 678 HG3 PRO 91 2HG PRO 91 -12.767 12.333 -0.767 679 HD2 PRO 91 1HD PRO 91 -10.632 11.108 0.363 680 HD3 PRO 91 2HD PRO 91 -10.758 11.386 -1.386 681 H SER 92 H SER 92 -8.977 13.262 1.730 682 HA SER 92 HA SER 92 -9.963 14.862 3.753 683 HB2 SER 92 1HB SER 92 -8.009 14.143 5.075 684 HB3 SER 92 2HB SER 92 -8.708 12.798 4.175 685 HG SER 92 HG SER 92 -7.001 13.601 2.528 686 H SER 93 H SER 93 -9.944 17.013 3.782 687 HA SER 93 HA SER 93 -8.051 18.636 2.470 688 HB2 SER 93 1HB SER 93 -10.332 19.397 3.033 689 HB3 SER 93 2HB SER 93 -9.910 19.374 4.745 690 HG SER 93 HG SER 93 -8.065 20.817 3.787 691 H GLY 94 H GLY 94 -5.983 18.860 2.992 692 HA2 GLY 94 1HA GLY 94 -5.286 19.230 5.824 693 HA3 GLY 94 2HA GLY 94 -4.419 18.025 4.883 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 8.909 1.280 -21.593 2 HA2 GLY 1 1HA GLY 1 9.676 0.770 -23.908 3 HA3 GLY 1 2HA GLY 1 8.868 2.328 -23.812 4 H SER 2 H SER 2 10.311 2.370 -25.871 5 HA SER 2 HA SER 2 13.012 2.576 -25.949 6 HB2 SER 2 1HB SER 2 10.985 4.359 -27.314 7 HB3 SER 2 2HB SER 2 12.701 4.340 -27.720 8 HG SER 2 HG SER 2 12.084 2.807 -29.034 9 H SER 3 H SER 3 10.907 5.396 -25.347 10 HA SER 3 HA SER 3 12.714 6.380 -23.318 11 HB2 SER 3 1HB SER 3 12.513 7.639 -26.029 12 HB3 SER 3 2HB SER 3 12.764 8.664 -24.616 13 HG SER 3 HG SER 3 14.587 7.262 -24.131 14 H GLY 4 H GLY 4 11.858 8.215 -22.157 15 HA2 GLY 4 1HA GLY 4 9.498 9.557 -22.649 16 HA3 GLY 4 2HA GLY 4 9.025 8.063 -21.853 17 H SER 5 H SER 5 11.299 10.777 -21.491 18 HA SER 5 HA SER 5 10.996 10.525 -18.573 19 HB2 SER 5 1HB SER 5 13.311 10.303 -19.418 20 HB3 SER 5 2HB SER 5 13.191 11.909 -20.136 21 HG SER 5 HG SER 5 12.835 12.716 -18.000 22 H SER 6 H SER 6 10.513 12.323 -17.326 23 HA SER 6 HA SER 6 9.955 14.847 -18.688 24 HB2 SER 6 1HB SER 6 7.872 13.291 -18.558 25 HB3 SER 6 2HB SER 6 7.864 13.717 -16.847 26 HG SER 6 HG SER 6 7.237 15.682 -17.329 27 H GLY 7 H GLY 7 9.385 16.590 -17.086 28 HA2 GLY 7 1HA GLY 7 10.788 16.108 -14.529 29 HA3 GLY 7 2HA GLY 7 10.998 17.585 -15.458 30 H ASN 8 H ASN 8 9.423 16.237 -12.882 31 HA ASN 8 HA ASN 8 7.252 18.225 -13.021 32 HB2 ASN 8 1HB ASN 8 7.304 15.610 -11.498 33 HB3 ASN 8 2HB ASN 8 5.975 16.766 -11.505 34 HD21 ASN 8 1HD2 ASN 8 4.404 16.388 -12.882 35 HD22 ASN 8 2HD2 ASN 8 4.514 15.427 -14.314 36 H ASP 9 H ASP 9 6.770 19.427 -11.162 37 HA ASP 9 HA ASP 9 9.032 19.713 -9.332 38 HB2 ASP 9 1HB ASP 9 6.636 21.488 -9.839 39 HB3 ASP 9 2HB ASP 9 7.914 21.843 -8.680 40 H ALA 10 H ALA 10 6.007 18.254 -9.439 41 HA ALA 10 HA ALA 10 6.036 17.911 -6.529 42 HB1 ALA 10 1HB ALA 10 4.410 19.642 -6.864 43 HB2 ALA 10 2HB ALA 10 3.617 18.713 -8.138 44 HB3 ALA 10 3HB ALA 10 3.563 18.146 -6.469 45 H VAL 11 H VAL 11 6.167 15.809 -6.136 46 HA VAL 11 HA VAL 11 5.800 13.792 -8.042 47 HB VAL 11 HB VAL 11 7.181 13.438 -6.073 48 HG11 VAL 11 1HG1 VAL 11 5.276 14.682 -4.650 49 HG12 VAL 11 2HG1 VAL 11 4.888 13.004 -4.264 50 HG13 VAL 11 3HG1 VAL 11 6.499 13.638 -3.926 51 HG21 VAL 11 1HG2 VAL 11 6.600 11.197 -5.639 52 HG22 VAL 11 2HG2 VAL 11 4.882 11.508 -5.894 53 HG23 VAL 11 3HG2 VAL 11 5.995 11.530 -7.262 54 H ASP 12 H ASP 12 3.629 15.071 -5.571 55 HA ASP 12 HA ASP 12 1.603 13.246 -5.538 56 HB2 ASP 12 1HB ASP 12 1.470 15.179 -4.134 57 HB3 ASP 12 2HB ASP 12 1.439 16.261 -5.524 58 H PHE 13 H PHE 13 2.546 15.280 -8.168 59 HA PHE 13 HA PHE 13 0.330 15.562 -9.715 60 HB2 PHE 13 1HB PHE 13 2.528 16.371 -10.405 61 HB3 PHE 13 2HB PHE 13 3.078 14.717 -10.657 62 HD1 PHE 13 HD1 PHE 13 0.457 17.106 -11.790 63 HD2 PHE 13 HD2 PHE 13 2.933 13.783 -12.761 64 HE1 PHE 13 HE1 PHE 13 -0.325 17.208 -14.120 65 HE2 PHE 13 HE2 PHE 13 2.155 13.880 -15.093 66 HZ PHE 13 HZ PHE 13 0.525 15.595 -15.776 67 H SER 14 H SER 14 2.403 12.669 -9.636 68 HA SER 14 HA SER 14 0.826 11.151 -11.418 69 HB2 SER 14 1HB SER 14 2.830 10.327 -9.311 70 HB3 SER 14 2HB SER 14 2.073 9.189 -10.424 71 HG SER 14 HG SER 14 3.919 11.236 -10.944 72 HA PRO 15 HA PRO 15 -2.588 10.313 -8.693 73 HB2 PRO 15 1HB PRO 15 -3.909 8.657 -10.391 74 HB3 PRO 15 2HB PRO 15 -3.906 10.415 -10.572 75 HG2 PRO 15 1HG PRO 15 -2.260 8.361 -11.998 76 HG3 PRO 15 2HG PRO 15 -3.078 9.792 -12.653 77 HD2 PRO 15 1HD PRO 15 -0.422 9.746 -12.126 78 HD3 PRO 15 2HD PRO 15 -1.401 11.218 -11.971 79 H THR 16 H THR 16 -0.061 8.346 -9.450 80 HA THR 16 HA THR 16 -1.161 6.129 -7.852 81 HB THR 16 HB THR 16 0.259 4.561 -9.107 82 HG1 THR 16 HG1 THR 16 1.740 5.312 -10.409 83 HG21 THR 16 1HG2 THR 16 -2.134 5.209 -9.801 84 HG22 THR 16 2HG2 THR 16 -1.140 4.344 -10.973 85 HG23 THR 16 3HG2 THR 16 -1.363 6.087 -11.121 86 H LEU 17 H LEU 17 0.136 5.284 -6.269 87 HA LEU 17 HA LEU 17 2.837 6.402 -5.980 88 HB2 LEU 17 1HB LEU 17 0.887 6.111 -3.698 89 HB3 LEU 17 2HB LEU 17 2.498 6.800 -3.628 90 HG LEU 17 HG LEU 17 0.224 7.996 -5.211 91 HD11 LEU 17 1HD1 LEU 17 -0.587 8.804 -3.314 92 HD12 LEU 17 2HD1 LEU 17 0.691 8.008 -2.395 93 HD13 LEU 17 3HD1 LEU 17 0.946 9.631 -3.036 94 HD21 LEU 17 1HD2 LEU 17 1.728 9.407 -6.032 95 HD22 LEU 17 2HD2 LEU 17 2.307 9.797 -4.414 96 HD23 LEU 17 3HD2 LEU 17 2.995 8.431 -5.290 97 HA PRO 18 HA PRO 18 3.922 2.175 -5.334 98 HB2 PRO 18 1HB PRO 18 6.391 2.572 -4.277 99 HB3 PRO 18 2HB PRO 18 6.036 2.784 -5.996 100 HG2 PRO 18 1HG PRO 18 6.258 4.848 -3.839 101 HG3 PRO 18 2HG PRO 18 6.890 4.888 -5.495 102 HD2 PRO 18 1HD PRO 18 4.620 6.174 -4.770 103 HD3 PRO 18 2HD PRO 18 4.853 5.489 -6.392 104 H VAL 19 H VAL 19 2.869 1.118 -3.758 105 HA VAL 19 HA VAL 19 3.478 1.826 -0.961 106 HB VAL 19 HB VAL 19 1.313 0.858 -0.342 107 HG11 VAL 19 1HG1 VAL 19 -0.133 2.571 -1.620 108 HG12 VAL 19 2HG1 VAL 19 1.183 3.166 -0.606 109 HG13 VAL 19 3HG1 VAL 19 1.388 3.075 -2.356 110 HG21 VAL 19 1HG2 VAL 19 -0.295 0.153 -1.973 111 HG22 VAL 19 2HG2 VAL 19 0.772 0.617 -3.299 112 HG23 VAL 19 3HG2 VAL 19 1.201 -0.738 -2.255 113 H THR 20 H THR 20 3.810 0.153 0.532 114 HA THR 20 HA THR 20 3.955 -2.584 -0.450 115 HB THR 20 HB THR 20 6.281 -2.835 0.514 116 HG1 THR 20 HG1 THR 20 6.959 -0.242 0.058 117 HG21 THR 20 1HG2 THR 20 5.520 -2.361 -1.997 118 HG22 THR 20 2HG2 THR 20 7.217 -2.520 -1.542 119 HG23 THR 20 3HG2 THR 20 6.503 -0.920 -1.743 120 H CYS 21 H CYS 21 3.351 -3.997 1.070 121 HA CYS 21 HA CYS 21 3.424 -3.129 3.884 122 HB2 CYS 21 1HB CYS 21 1.122 -3.045 2.977 123 HB3 CYS 21 2HB CYS 21 1.239 -4.751 2.562 124 HG CYS 21 HG CYS 21 2.002 -4.628 5.682 125 H GLY 22 H GLY 22 4.928 -4.328 4.853 126 HA2 GLY 22 1HA GLY 22 6.125 -6.155 5.559 127 HA3 GLY 22 2HA GLY 22 4.662 -7.078 5.252 128 H LYS 23 H LYS 23 4.629 -8.481 3.595 129 HA LYS 23 HA LYS 23 7.015 -8.567 1.878 130 HB2 LYS 23 1HB LYS 23 6.444 -10.949 1.528 131 HB3 LYS 23 2HB LYS 23 6.729 -10.564 3.220 132 HG2 LYS 23 1HG LYS 23 4.532 -10.856 3.802 133 HG3 LYS 23 2HG LYS 23 3.941 -10.495 2.178 134 HD2 LYS 23 1HD LYS 23 3.614 -12.810 2.457 135 HD3 LYS 23 2HD LYS 23 5.062 -12.663 1.458 136 HE2 LYS 23 1HE LYS 23 6.479 -13.085 3.343 137 HE3 LYS 23 2HE LYS 23 5.110 -13.014 4.451 138 HZ1 LYS 23 1HZ LYS 23 6.081 -15.285 3.530 139 HZ2 LYS 23 2HZ LYS 23 4.962 -14.975 2.300 140 HZ3 LYS 23 3HZ LYS 23 4.443 -15.089 3.907 141 H ALA 24 H ALA 24 4.280 -7.122 1.627 142 HA ALA 24 HA ALA 24 3.603 -8.138 -1.055 143 HB1 ALA 24 1HB ALA 24 1.577 -6.397 -0.283 144 HB2 ALA 24 2HB ALA 24 1.511 -8.160 -0.300 145 HB3 ALA 24 3HB ALA 24 1.966 -7.308 1.176 146 H LYS 25 H LYS 25 3.433 -6.713 -2.774 147 HA LYS 25 HA LYS 25 4.184 -3.919 -2.295 148 HB2 LYS 25 1HB LYS 25 5.456 -5.684 -4.395 149 HB3 LYS 25 2HB LYS 25 5.776 -3.972 -4.154 150 HG2 LYS 25 1HG LYS 25 6.754 -4.414 -1.995 151 HG3 LYS 25 2HG LYS 25 6.333 -6.124 -2.122 152 HD2 LYS 25 1HD LYS 25 7.894 -6.487 -3.844 153 HD3 LYS 25 2HD LYS 25 8.080 -4.759 -4.153 154 HE2 LYS 25 1HE LYS 25 8.831 -5.978 -1.515 155 HE3 LYS 25 2HE LYS 25 9.950 -5.970 -2.877 156 HZ1 LYS 25 1HZ LYS 25 10.530 -3.950 -2.211 157 HZ2 LYS 25 2HZ LYS 25 9.253 -3.852 -1.106 158 HZ3 LYS 25 3HZ LYS 25 9.012 -3.401 -2.718 159 H GLY 26 H GLY 26 3.144 -2.465 -3.561 160 HA2 GLY 26 1HA GLY 26 1.921 -3.238 -6.059 161 HA3 GLY 26 2HA GLY 26 0.765 -2.948 -4.767 162 H THR 27 H THR 27 -0.126 -1.192 -5.911 163 HA THR 27 HA THR 27 1.330 1.291 -5.496 164 HB THR 27 HB THR 27 0.185 0.633 -8.215 165 HG1 THR 27 HG1 THR 27 2.230 0.248 -8.858 166 HG21 THR 27 1HG2 THR 27 0.056 3.002 -7.653 167 HG22 THR 27 2HG2 THR 27 1.281 2.729 -8.892 168 HG23 THR 27 3HG2 THR 27 1.764 3.006 -7.218 169 H LEU 28 H LEU 28 0.007 2.763 -4.658 170 HA LEU 28 HA LEU 28 -2.851 2.254 -4.634 171 HB2 LEU 28 1HB LEU 28 -1.966 2.864 -2.532 172 HB3 LEU 28 2HB LEU 28 -1.065 4.207 -3.210 173 HG LEU 28 HG LEU 28 -3.532 5.045 -3.808 174 HD11 LEU 28 1HD1 LEU 28 -5.189 4.388 -2.348 175 HD12 LEU 28 2HD1 LEU 28 -4.349 2.867 -2.647 176 HD13 LEU 28 3HD1 LEU 28 -4.043 3.765 -1.161 177 HD21 LEU 28 1HD2 LEU 28 -3.159 5.722 -1.077 178 HD22 LEU 28 2HD2 LEU 28 -1.572 5.604 -1.835 179 HD23 LEU 28 3HD2 LEU 28 -2.792 6.682 -2.510 180 H PHE 29 H PHE 29 -4.378 3.418 -5.672 181 HA PHE 29 HA PHE 29 -3.433 5.584 -7.428 182 HB2 PHE 29 1HB PHE 29 -5.721 3.640 -7.775 183 HB3 PHE 29 2HB PHE 29 -5.450 5.027 -8.825 184 HD1 PHE 29 HD2 PHE 29 -3.403 2.242 -7.407 185 HD2 PHE 29 HD1 PHE 29 -4.470 4.536 -10.829 186 HE1 PHE 29 HE2 PHE 29 -1.873 0.894 -8.783 187 HE2 PHE 29 HE1 PHE 29 -2.943 3.191 -12.212 188 HZ PHE 29 HZ PHE 29 -1.641 1.367 -11.189 189 H GLN 30 H GLN 30 -3.824 7.427 -6.334 190 HA GLN 30 HA GLN 30 -5.669 8.012 -4.435 191 HB2 GLN 30 1HB GLN 30 -5.179 10.051 -6.572 192 HB3 GLN 30 2HB GLN 30 -5.263 10.266 -4.829 193 HG2 GLN 30 1HG GLN 30 -3.107 8.888 -4.748 194 HG3 GLN 30 2HG GLN 30 -3.004 9.203 -6.480 195 HE21 GLN 30 1HE2 GLN 30 -2.717 10.518 -3.309 196 HE22 GLN 30 2HE2 GLN 30 -2.103 12.065 -3.772 197 H GLU 31 H GLU 31 -6.196 8.020 -7.928 198 HA GLU 31 HA GLU 31 -8.769 9.117 -7.950 199 HB2 GLU 31 1HB GLU 31 -7.794 8.975 -10.052 200 HB3 GLU 31 2HB GLU 31 -7.249 7.323 -9.801 201 HG2 GLU 31 1HG GLU 31 -9.242 6.418 -10.418 202 HG3 GLU 31 2HG GLU 31 -10.171 7.816 -9.880 203 H LYS 32 H LYS 32 -7.696 5.757 -7.633 204 HA LYS 32 HA LYS 32 -10.396 4.760 -7.439 205 HB2 LYS 32 1HB LYS 32 -7.662 3.568 -7.368 206 HB3 LYS 32 2HB LYS 32 -8.986 2.650 -6.663 207 HG2 LYS 32 1HG LYS 32 -9.993 2.286 -8.675 208 HG3 LYS 32 2HG LYS 32 -9.362 3.774 -9.385 209 HD2 LYS 32 1HD LYS 32 -7.096 2.721 -9.387 210 HD3 LYS 32 2HD LYS 32 -7.853 1.214 -8.865 211 HE2 LYS 32 1HE LYS 32 -8.837 2.635 -11.308 212 HE3 LYS 32 2HE LYS 32 -7.399 1.619 -11.392 213 HZ1 LYS 32 1HZ LYS 32 -9.434 0.416 -11.968 214 HZ2 LYS 32 2HZ LYS 32 -10.060 0.720 -10.427 215 HZ3 LYS 32 3HZ LYS 32 -8.682 -0.245 -10.605 216 H LEU 33 H LEU 33 -8.138 6.132 -5.310 217 HA LEU 33 HA LEU 33 -9.099 4.775 -2.941 218 HB2 LEU 33 1HB LEU 33 -6.730 5.566 -3.251 219 HB3 LEU 33 2HB LEU 33 -7.327 7.209 -3.110 220 HG LEU 33 HG LEU 33 -8.115 6.729 -0.830 221 HD11 LEU 33 1HD1 LEU 33 -8.560 4.355 -1.059 222 HD12 LEU 33 2HD1 LEU 33 -6.840 4.035 -1.275 223 HD13 LEU 33 3HD1 LEU 33 -7.435 4.644 0.268 224 HD21 LEU 33 1HD2 LEU 33 -5.729 7.488 -1.448 225 HD22 LEU 33 2HD2 LEU 33 -6.037 6.916 0.191 226 HD23 LEU 33 3HD2 LEU 33 -5.255 5.855 -0.981 227 H LYS 34 H LYS 34 -9.634 7.781 -4.635 228 HA LYS 34 HA LYS 34 -10.870 9.286 -2.648 229 HB2 LYS 34 1HB LYS 34 -11.218 9.193 -5.635 230 HB3 LYS 34 2HB LYS 34 -12.159 10.298 -4.641 231 HG2 LYS 34 1HG LYS 34 -9.945 11.138 -3.733 232 HG3 LYS 34 2HG LYS 34 -9.186 10.235 -5.047 233 HD2 LYS 34 1HD LYS 34 -11.423 12.108 -5.672 234 HD3 LYS 34 2HD LYS 34 -9.818 12.765 -5.347 235 HE2 LYS 34 1HE LYS 34 -9.649 12.468 -7.601 236 HE3 LYS 34 2HE LYS 34 -9.102 10.880 -7.063 237 HZ1 LYS 34 1HZ LYS 34 -10.655 10.352 -8.652 238 HZ2 LYS 34 2HZ LYS 34 -11.675 11.645 -8.266 239 HZ3 LYS 34 3HZ LYS 34 -11.600 10.295 -7.250 240 H GLN 35 H GLN 35 -12.267 6.908 -4.876 241 HA GLN 35 HA GLN 35 -14.946 7.207 -4.234 242 HB2 GLN 35 1HB GLN 35 -13.588 4.575 -4.822 243 HB3 GLN 35 2HB GLN 35 -15.278 4.981 -5.092 244 HG2 GLN 35 1HG GLN 35 -14.605 6.626 -6.778 245 HG3 GLN 35 2HG GLN 35 -12.917 6.184 -6.520 246 HE21 GLN 35 1HE2 GLN 35 -15.861 4.233 -6.800 247 HE22 GLN 35 2HE2 GLN 35 -15.308 3.276 -8.128 248 H GLY 36 H GLY 36 -12.509 5.138 -2.679 249 HA2 GLY 36 1HA GLY 36 -13.319 5.425 -0.087 250 HA3 GLY 36 2HA GLY 36 -14.359 4.155 -0.714 251 H ALA 37 H ALA 37 -11.745 4.567 1.087 252 HA ALA 37 HA ALA 37 -9.645 3.098 0.184 253 HB1 ALA 37 1HB ALA 37 -10.856 3.440 2.877 254 HB2 ALA 37 2HB ALA 37 -9.592 2.226 2.675 255 HB3 ALA 37 3HB ALA 37 -9.264 3.913 2.282 256 H SER 38 H SER 38 -12.757 1.877 1.265 257 HA SER 38 HA SER 38 -12.136 -0.834 1.494 258 HB2 SER 38 1HB SER 38 -14.482 -1.250 1.381 259 HB3 SER 38 2HB SER 38 -14.299 0.321 2.161 260 HG SER 38 HG SER 38 -15.851 -0.062 0.241 261 H LYS 39 H LYS 39 -12.985 1.100 -1.326 262 HA LYS 39 HA LYS 39 -13.259 -1.042 -3.149 263 HB2 LYS 39 1HB LYS 39 -12.524 1.851 -3.628 264 HB3 LYS 39 2HB LYS 39 -12.948 0.705 -4.893 265 HG2 LYS 39 1HG LYS 39 -14.956 1.734 -4.594 266 HG3 LYS 39 2HG LYS 39 -15.119 0.409 -3.439 267 HD2 LYS 39 1HD LYS 39 -14.768 1.796 -1.608 268 HD3 LYS 39 2HD LYS 39 -13.975 3.039 -2.578 269 HE2 LYS 39 1HE LYS 39 -16.143 3.843 -1.964 270 HE3 LYS 39 2HE LYS 39 -16.164 3.472 -3.687 271 HZ1 LYS 39 1HZ LYS 39 -18.014 2.633 -1.956 272 HZ2 LYS 39 2HZ LYS 39 -16.970 1.303 -1.945 273 HZ3 LYS 39 3HZ LYS 39 -17.649 1.833 -3.401 274 H LYS 40 H LYS 40 -11.824 -1.922 -4.627 275 HA LYS 40 HA LYS 40 -9.154 -2.228 -3.776 276 HB2 LYS 40 1HB LYS 40 -10.181 -2.809 -6.552 277 HB3 LYS 40 2HB LYS 40 -8.842 -3.584 -5.715 278 HG2 LYS 40 1HG LYS 40 -11.501 -3.768 -4.435 279 HG3 LYS 40 2HG LYS 40 -11.257 -4.686 -5.923 280 HD2 LYS 40 1HD LYS 40 -9.152 -5.600 -4.862 281 HD3 LYS 40 2HD LYS 40 -9.703 -4.875 -3.350 282 HE2 LYS 40 1HE LYS 40 -10.551 -6.996 -3.139 283 HE3 LYS 40 2HE LYS 40 -11.914 -6.174 -3.898 284 HZ1 LYS 40 1HZ LYS 40 -10.105 -8.181 -5.001 285 HZ2 LYS 40 2HZ LYS 40 -10.648 -6.976 -6.056 286 HZ3 LYS 40 3HZ LYS 40 -11.764 -7.963 -5.255 287 H CYS 41 H CYS 41 -7.761 -0.577 -3.775 288 HA CYS 41 HA CYS 41 -7.564 1.063 -6.216 289 HB2 CYS 41 1HB CYS 41 -6.640 2.854 -4.748 290 HB3 CYS 41 2HB CYS 41 -8.309 2.437 -4.378 291 HG CYS 41 HG CYS 41 -7.905 2.044 -1.882 292 H ILE 42 H ILE 42 -5.941 -0.979 -3.973 293 HA ILE 42 HA ILE 42 -3.292 -0.221 -4.912 294 HB ILE 42 HB ILE 42 -4.167 -2.296 -2.901 295 HG12 ILE 42 1HG1 ILE 42 -2.649 0.278 -2.458 296 HG13 ILE 42 2HG1 ILE 42 -4.399 0.156 -2.315 297 HG21 ILE 42 1HG2 ILE 42 -2.118 -3.159 -2.884 298 HG22 ILE 42 2HG2 ILE 42 -1.801 -2.254 -4.363 299 HG23 ILE 42 3HG2 ILE 42 -1.378 -1.561 -2.798 300 HD11 ILE 42 1HD1 ILE 42 -4.225 -0.615 -0.251 301 HD12 ILE 42 2HD1 ILE 42 -3.128 -1.897 -0.766 302 HD13 ILE 42 3HD1 ILE 42 -2.491 -0.309 -0.338 303 H GLN 43 H GLN 43 -2.593 -1.027 -6.772 304 HA GLN 43 HA GLN 43 -3.540 -3.661 -7.644 305 HB2 GLN 43 1HB GLN 43 -3.634 -1.517 -9.101 306 HB3 GLN 43 2HB GLN 43 -1.911 -1.782 -9.328 307 HG2 GLN 43 1HG GLN 43 -2.415 -4.040 -10.198 308 HG3 GLN 43 2HG GLN 43 -4.133 -3.671 -10.065 309 HE21 GLN 43 1HE2 GLN 43 -4.773 -3.581 -12.121 310 HE22 GLN 43 2HE2 GLN 43 -4.099 -2.545 -13.328 311 H ASN 44 H ASN 44 -2.276 -5.371 -7.395 312 HA ASN 44 HA ASN 44 0.435 -5.106 -6.509 313 HB2 ASN 44 1HB ASN 44 0.435 -7.541 -6.407 314 HB3 ASN 44 2HB ASN 44 -1.049 -6.911 -5.700 315 HD21 ASN 44 1HD2 ASN 44 -1.340 -9.368 -6.231 316 HD22 ASN 44 2HD2 ASN 44 -2.163 -9.680 -7.718 317 H GLU 45 H GLU 45 2.111 -6.647 -7.583 318 HA GLU 45 HA GLU 45 2.767 -5.596 -10.088 319 HB2 GLU 45 1HB GLU 45 3.739 -8.192 -8.883 320 HB3 GLU 45 2HB GLU 45 4.531 -7.277 -10.158 321 HG2 GLU 45 1HG GLU 45 3.997 -5.905 -7.582 322 HG3 GLU 45 2HG GLU 45 5.287 -7.105 -7.639 323 H ALA 46 H ALA 46 0.751 -8.257 -9.211 324 HA ALA 46 HA ALA 46 0.828 -9.529 -11.797 325 HB1 ALA 46 1HB ALA 46 -0.061 -11.243 -10.702 326 HB2 ALA 46 2HB ALA 46 -0.007 -10.271 -9.231 327 HB3 ALA 46 3HB ALA 46 -1.460 -10.279 -10.229 328 H GLY 47 H GLY 47 -0.719 -6.822 -10.511 329 HA2 GLY 47 1HA GLY 47 -1.998 -5.349 -11.865 330 HA3 GLY 47 2HA GLY 47 -2.499 -6.723 -12.840 331 H ASP 48 H ASP 48 -2.992 -8.172 -10.179 332 HA ASP 48 HA ASP 48 -5.776 -7.654 -10.063 333 HB2 ASP 48 1HB ASP 48 -3.979 -9.222 -8.203 334 HB3 ASP 48 2HB ASP 48 -5.738 -9.212 -8.113 335 H TRP 49 H TRP 49 -6.764 -6.025 -9.092 336 HA TRP 49 HA TRP 49 -5.403 -4.262 -7.309 337 HB2 TRP 49 1HB TRP 49 -8.337 -4.430 -8.032 338 HB3 TRP 49 2HB TRP 49 -7.582 -3.103 -7.155 339 HD1 TRP 49 HD1 TRP 49 -7.648 -4.701 -10.656 340 HE1 TRP 49 HE1 TRP 49 -6.859 -2.943 -12.362 341 HE3 TRP 49 HE3 TRP 49 -6.265 -0.993 -7.420 342 HZ2 TRP 49 HZ2 TRP 49 -5.791 -0.330 -12.339 343 HZ3 TRP 49 HZ3 TRP 49 -5.369 1.104 -8.343 344 HH2 TRP 49 HH2 TRP 49 -5.137 1.426 -10.752 345 H LEU 50 H LEU 50 -6.000 -3.765 -5.127 346 HA LEU 50 HA LEU 50 -7.539 -5.794 -3.697 347 HB2 LEU 50 1HB LEU 50 -4.750 -5.002 -2.860 348 HB3 LEU 50 2HB LEU 50 -5.802 -6.140 -2.039 349 HG LEU 50 HG LEU 50 -5.066 -6.701 -4.872 350 HD11 LEU 50 1HD1 LEU 50 -3.232 -7.693 -2.764 351 HD12 LEU 50 2HD1 LEU 50 -2.930 -7.360 -4.470 352 HD13 LEU 50 3HD1 LEU 50 -3.026 -6.030 -3.316 353 HD21 LEU 50 1HD2 LEU 50 -5.988 -8.660 -4.385 354 HD22 LEU 50 2HD2 LEU 50 -4.895 -8.882 -3.020 355 HD23 LEU 50 3HD2 LEU 50 -6.419 -8.023 -2.798 356 H THR 51 H THR 51 -8.501 -5.067 -1.825 357 HA THR 51 HA THR 51 -8.863 -2.248 -1.599 358 HB THR 51 HB THR 51 -10.439 -2.701 0.117 359 HG1 THR 51 HG1 THR 51 -9.457 -4.066 1.512 360 HG21 THR 51 1HG2 THR 51 -10.675 -5.211 -1.499 361 HG22 THR 51 2HG2 THR 51 -10.839 -3.638 -2.278 362 HG23 THR 51 3HG2 THR 51 -11.936 -4.096 -0.976 363 H VAL 52 H VAL 52 -8.243 -0.854 0.043 364 HA VAL 52 HA VAL 52 -5.760 -0.774 1.001 365 HB VAL 52 HB VAL 52 -8.203 0.050 2.575 366 HG11 VAL 52 1HG1 VAL 52 -6.832 1.369 3.952 367 HG12 VAL 52 2HG1 VAL 52 -6.023 -0.197 3.871 368 HG13 VAL 52 3HG1 VAL 52 -5.429 1.155 2.905 369 HG21 VAL 52 1HG2 VAL 52 -6.392 1.719 0.839 370 HG22 VAL 52 2HG2 VAL 52 -7.923 1.034 0.293 371 HG23 VAL 52 3HG2 VAL 52 -7.902 2.215 1.603 372 H LYS 53 H LYS 53 -8.316 -2.772 2.312 373 HA LYS 53 HA LYS 53 -6.772 -3.591 4.611 374 HB2 LYS 53 1HB LYS 53 -9.401 -3.458 4.252 375 HB3 LYS 53 2HB LYS 53 -9.170 -5.112 3.698 376 HG2 LYS 53 1HG LYS 53 -9.531 -5.552 5.881 377 HG3 LYS 53 2HG LYS 53 -7.795 -5.248 5.978 378 HD2 LYS 53 1HD LYS 53 -9.810 -3.050 6.342 379 HD3 LYS 53 2HD LYS 53 -9.305 -4.079 7.684 380 HE2 LYS 53 1HE LYS 53 -6.959 -3.440 7.241 381 HE3 LYS 53 2HE LYS 53 -7.520 -2.352 5.972 382 HZ1 LYS 53 1HZ LYS 53 -8.956 -1.795 8.309 383 HZ2 LYS 53 2HZ LYS 53 -7.851 -0.804 7.498 384 HZ3 LYS 53 3HZ LYS 53 -7.314 -1.848 8.715 385 H GLU 54 H GLU 54 -8.113 -5.328 1.793 386 HA GLU 54 HA GLU 54 -6.993 -7.772 2.080 387 HB2 GLU 54 1HB GLU 54 -7.443 -6.106 -0.374 388 HB3 GLU 54 2HB GLU 54 -6.710 -7.698 -0.508 389 HG2 GLU 54 1HG GLU 54 -8.785 -8.421 0.927 390 HG3 GLU 54 2HG GLU 54 -9.479 -6.943 0.264 391 H PHE 55 H PHE 55 -5.383 -5.132 0.296 392 HA PHE 55 HA PHE 55 -3.000 -6.193 -0.321 393 HB2 PHE 55 1HB PHE 55 -3.634 -3.822 -0.701 394 HB3 PHE 55 2HB PHE 55 -3.302 -3.486 0.995 395 HD1 PHE 55 HD1 PHE 55 -1.499 -5.344 -1.696 396 HD2 PHE 55 HD2 PHE 55 -1.377 -2.276 1.252 397 HE1 PHE 55 HE1 PHE 55 0.858 -4.910 -2.251 398 HE2 PHE 55 HE2 PHE 55 0.981 -1.837 0.701 399 HZ PHE 55 HZ PHE 55 2.101 -3.154 -1.052 400 H LEU 56 H LEU 56 -3.827 -4.945 2.900 401 HA LEU 56 HA LEU 56 -1.359 -5.451 4.125 402 HB2 LEU 56 1HB LEU 56 -3.985 -5.668 5.568 403 HB3 LEU 56 2HB LEU 56 -2.446 -5.094 6.183 404 HG LEU 56 HG LEU 56 -4.219 -3.654 4.209 405 HD11 LEU 56 1HD1 LEU 56 -4.070 -1.974 6.226 406 HD12 LEU 56 2HD1 LEU 56 -5.259 -3.276 6.207 407 HD13 LEU 56 3HD1 LEU 56 -3.775 -3.453 7.142 408 HD21 LEU 56 1HD2 LEU 56 -2.317 -2.679 3.553 409 HD22 LEU 56 2HD2 LEU 56 -2.350 -1.868 5.118 410 HD23 LEU 56 3HD2 LEU 56 -1.404 -3.341 4.909 411 H ASN 57 H ASN 57 -4.328 -7.423 4.122 412 HA ASN 57 HA ASN 57 -3.497 -9.565 5.611 413 HB2 ASN 57 1HB ASN 57 -5.291 -9.434 3.193 414 HB3 ASN 57 2HB ASN 57 -5.018 -10.942 4.061 415 HD21 ASN 57 1HD2 ASN 57 -6.866 -11.311 5.082 416 HD22 ASN 57 2HD2 ASN 57 -7.664 -10.203 6.141 417 H GLU 58 H GLU 58 -2.807 -8.909 2.211 418 HA GLU 58 HA GLU 58 -1.622 -11.344 1.534 419 HB2 GLU 58 1HB GLU 58 -1.505 -8.570 0.486 420 HB3 GLU 58 2HB GLU 58 -0.218 -9.658 -0.013 421 HG2 GLU 58 1HG GLU 58 -2.287 -11.250 -0.501 422 HG3 GLU 58 2HG GLU 58 -3.101 -9.696 -0.673 423 H GLY 59 H GLY 59 -0.345 -8.565 3.248 424 HA2 GLY 59 1HA GLY 59 2.383 -9.502 3.166 425 HA3 GLY 59 2HA GLY 59 1.774 -8.134 4.086 426 H GLY 60 H GLY 60 -0.276 -9.586 5.483 427 HA2 GLY 60 1HA GLY 60 -0.095 -11.741 6.848 428 HA3 GLY 60 2HA GLY 60 1.461 -11.086 7.335 429 H ARG 61 H ARG 61 -0.778 -8.626 6.892 430 HA ARG 61 HA ARG 61 -1.597 -8.685 9.715 431 HB2 ARG 61 1HB ARG 61 -0.166 -6.514 8.234 432 HB3 ARG 61 2HB ARG 61 -1.293 -6.084 9.514 433 HG2 ARG 61 1HG ARG 61 0.029 -7.708 10.978 434 HG3 ARG 61 2HG ARG 61 1.257 -7.645 9.711 435 HD2 ARG 61 1HD ARG 61 2.013 -5.939 11.009 436 HD3 ARG 61 2HD ARG 61 0.874 -5.033 10.014 437 HE ARG 61 HE ARG 61 -0.497 -4.774 11.851 438 HH11 ARG 61 1HH1 ARG 61 2.056 -7.030 12.568 439 HH12 ARG 61 2HH1 ARG 61 1.732 -7.056 14.270 440 HH21 ARG 61 1HH2 ARG 61 -0.933 -4.800 14.089 441 HH22 ARG 61 2HH2 ARG 61 0.031 -5.788 15.134 442 H ALA 62 H ALA 62 -3.730 -9.060 9.470 443 HA ALA 62 HA ALA 62 -5.228 -7.441 7.530 444 HB1 ALA 62 1HB ALA 62 -6.898 -9.082 7.533 445 HB2 ALA 62 2HB ALA 62 -5.386 -9.990 7.570 446 HB3 ALA 62 3HB ALA 62 -6.329 -9.786 9.047 447 H THR 63 H THR 63 -5.067 -8.311 10.941 448 HA THR 63 HA THR 63 -7.389 -6.886 11.740 449 HB THR 63 HB THR 63 -6.404 -8.667 13.126 450 HG1 THR 63 HG1 THR 63 -6.364 -7.283 15.137 451 HG21 THR 63 1HG2 THR 63 -4.043 -8.217 12.750 452 HG22 THR 63 2HG2 THR 63 -4.398 -8.181 14.477 453 HG23 THR 63 3HG2 THR 63 -4.183 -6.673 13.589 454 H SER 64 H SER 64 -4.240 -5.896 10.874 455 HA SER 64 HA SER 64 -3.762 -3.675 12.441 456 HB2 SER 64 1HB SER 64 -2.586 -2.751 10.383 457 HB3 SER 64 2HB SER 64 -2.078 -4.359 10.900 458 HG SER 64 HG SER 64 -4.160 -4.219 9.060 459 H LYS 65 H LYS 65 -5.219 -2.173 12.948 460 HA LYS 65 HA LYS 65 -7.418 -1.424 11.369 461 HB2 LYS 65 1HB LYS 65 -6.056 0.086 13.607 462 HB3 LYS 65 2HB LYS 65 -7.636 0.480 12.942 463 HG2 LYS 65 1HG LYS 65 -7.190 -2.274 13.960 464 HG3 LYS 65 2HG LYS 65 -7.372 -0.963 15.128 465 HD2 LYS 65 1HD LYS 65 -9.512 -0.359 14.159 466 HD3 LYS 65 2HD LYS 65 -9.320 -1.591 12.909 467 HE2 LYS 65 1HE LYS 65 -9.755 -3.315 14.350 468 HE3 LYS 65 2HE LYS 65 -9.153 -2.437 15.755 469 HZ1 LYS 65 1HZ LYS 65 -11.133 -1.144 15.826 470 HZ2 LYS 65 2HZ LYS 65 -11.596 -2.767 15.726 471 HZ3 LYS 65 3HZ LYS 65 -11.686 -1.777 14.358 472 H ASP 66 H ASP 66 -4.671 0.678 12.234 473 HA ASP 66 HA ASP 66 -5.180 2.461 10.070 474 HB2 ASP 66 1HB ASP 66 -2.993 3.485 10.750 475 HB3 ASP 66 2HB ASP 66 -4.161 3.338 12.060 476 H TRP 67 H TRP 67 -4.897 1.821 8.032 477 HA TRP 67 HA TRP 67 -2.929 -0.132 7.289 478 HB2 TRP 67 1HB TRP 67 -3.719 0.441 4.942 479 HB3 TRP 67 2HB TRP 67 -4.950 -0.174 6.042 480 HD1 TRP 67 HD1 TRP 67 -6.723 1.661 7.021 481 HE1 TRP 67 HE1 TRP 67 -7.579 3.857 5.988 482 HE3 TRP 67 HE3 TRP 67 -3.084 2.376 3.502 483 HZ2 TRP 67 HZ2 TRP 67 -6.814 5.655 3.951 484 HZ3 TRP 67 HZ3 TRP 67 -3.220 4.358 2.051 485 HH2 TRP 67 HH2 TRP 67 -5.047 5.962 2.272 486 H LYS 68 H LYS 68 -3.236 3.362 7.102 487 HA LYS 68 HA LYS 68 -1.112 3.898 5.358 488 HB2 LYS 68 1HB LYS 68 -2.111 5.570 7.673 489 HB3 LYS 68 2HB LYS 68 -1.100 6.149 6.354 490 HG2 LYS 68 1HG LYS 68 -2.822 6.042 4.813 491 HG3 LYS 68 2HG LYS 68 -3.751 4.895 5.780 492 HD2 LYS 68 1HD LYS 68 -3.913 6.804 7.501 493 HD3 LYS 68 2HD LYS 68 -3.412 7.851 6.171 494 HE2 LYS 68 1HE LYS 68 -5.316 6.939 4.839 495 HE3 LYS 68 2HE LYS 68 -5.851 6.082 6.283 496 HZ1 LYS 68 1HZ LYS 68 -6.774 7.920 7.079 497 HZ2 LYS 68 2HZ LYS 68 -6.520 8.637 5.568 498 HZ3 LYS 68 3HZ LYS 68 -5.385 8.846 6.805 499 H GLY 69 H GLY 69 -1.115 2.761 8.591 500 HA2 GLY 69 1HA GLY 69 1.580 3.676 9.171 501 HA3 GLY 69 2HA GLY 69 0.561 2.697 10.216 502 H VAL 70 H VAL 70 -0.036 0.565 8.585 503 HA VAL 70 HA VAL 70 2.368 -0.957 8.768 504 HB VAL 70 HB VAL 70 1.049 -2.811 7.842 505 HG11 VAL 70 1HG1 VAL 70 -0.660 -2.912 9.616 506 HG12 VAL 70 2HG1 VAL 70 0.908 -2.373 10.220 507 HG13 VAL 70 3HG1 VAL 70 -0.385 -1.203 9.953 508 HG21 VAL 70 1HG2 VAL 70 -0.814 -2.544 6.641 509 HG22 VAL 70 2HG2 VAL 70 -1.505 -1.419 7.810 510 HG23 VAL 70 3HG2 VAL 70 -0.394 -0.833 6.572 511 H ILE 71 H ILE 71 0.701 0.700 6.194 512 HA ILE 71 HA ILE 71 2.313 -0.552 4.127 513 HB ILE 71 HB ILE 71 0.258 1.654 3.949 514 HG12 ILE 71 1HG1 ILE 71 0.088 -1.250 3.119 515 HG13 ILE 71 2HG1 ILE 71 -0.607 -0.591 4.596 516 HG21 ILE 71 1HG2 ILE 71 0.845 0.238 1.495 517 HG22 ILE 71 2HG2 ILE 71 0.798 1.971 1.813 518 HG23 ILE 71 3HG2 ILE 71 2.270 1.055 2.137 519 HD11 ILE 71 1HD1 ILE 71 -1.746 1.050 2.836 520 HD12 ILE 71 2HD1 ILE 71 -1.516 -0.359 1.799 521 HD13 ILE 71 3HD1 ILE 71 -2.444 -0.504 3.291 522 H ARG 72 H ARG 72 4.177 0.223 3.390 523 HA ARG 72 HA ARG 72 4.908 2.991 4.088 524 HB2 ARG 72 1HB ARG 72 6.791 0.676 3.614 525 HB3 ARG 72 2HB ARG 72 7.221 2.289 4.168 526 HG2 ARG 72 1HG ARG 72 5.598 1.731 6.136 527 HG3 ARG 72 2HG ARG 72 5.908 0.063 5.649 528 HD2 ARG 72 1HD ARG 72 8.299 0.408 5.917 529 HD3 ARG 72 2HD ARG 72 8.025 2.100 6.332 530 HE ARG 72 HE ARG 72 6.552 0.700 8.154 531 HH11 ARG 72 1HH1 ARG 72 9.893 0.716 7.177 532 HH12 ARG 72 2HH1 ARG 72 10.487 0.247 8.735 533 HH21 ARG 72 1HH2 ARG 72 7.321 0.081 10.211 534 HH22 ARG 72 2HH2 ARG 72 9.023 -0.115 10.460 535 H CYS 73 H CYS 73 5.447 4.350 2.489 536 HA CYS 73 HA CYS 73 5.714 3.227 -0.222 537 HB2 CYS 73 1HB CYS 73 3.708 4.496 -0.164 538 HB3 CYS 73 2HB CYS 73 4.472 5.803 0.732 539 HG CYS 73 HG CYS 73 6.252 5.789 -1.853 540 H ASN 74 H ASN 74 7.787 3.232 -0.793 541 HA ASN 74 HA ASN 74 9.883 3.969 -1.283 542 HB2 ASN 74 1HB ASN 74 8.788 6.717 -0.641 543 HB3 ASN 74 2HB ASN 74 10.271 6.368 -1.524 544 HD21 ASN 74 1HD2 ASN 74 9.650 4.520 -3.293 545 HD22 ASN 74 2HD2 ASN 74 8.396 5.046 -4.360 546 H GLY 75 H GLY 75 9.151 3.159 1.408 547 HA2 GLY 75 1HA GLY 75 10.504 2.858 3.290 548 HA3 GLY 75 2HA GLY 75 11.491 4.216 2.769 549 H GLU 76 H GLU 76 8.582 5.485 2.467 550 HA GLU 76 HA GLU 76 8.460 6.362 5.278 551 HB2 GLU 76 1HB GLU 76 8.022 7.903 2.726 552 HB3 GLU 76 2HB GLU 76 7.455 8.490 4.284 553 HG2 GLU 76 1HG GLU 76 9.486 9.554 4.034 554 HG3 GLU 76 2HG GLU 76 9.890 8.170 5.048 555 H THR 77 H THR 77 6.609 6.043 6.325 556 HA THR 77 HA THR 77 4.486 4.584 5.225 557 HB THR 77 HB THR 77 3.261 5.072 7.289 558 HG1 THR 77 HG1 THR 77 3.672 7.124 7.854 559 HG21 THR 77 1HG2 THR 77 5.733 4.727 8.659 560 HG22 THR 77 2HG2 THR 77 5.834 3.883 7.113 561 HG23 THR 77 3HG2 THR 77 4.529 3.509 8.239 562 H LEU 78 H LEU 78 2.498 5.136 4.435 563 HA LEU 78 HA LEU 78 2.106 7.344 2.916 564 HB2 LEU 78 1HB LEU 78 -0.093 5.993 4.480 565 HB3 LEU 78 2HB LEU 78 -0.274 6.901 2.991 566 HG LEU 78 HG LEU 78 1.278 4.323 3.225 567 HD11 LEU 78 1HD1 LEU 78 -1.544 4.776 3.114 568 HD12 LEU 78 2HD1 LEU 78 -1.007 4.006 1.621 569 HD13 LEU 78 3HD1 LEU 78 -0.660 3.252 3.176 570 HD21 LEU 78 1HD2 LEU 78 0.239 5.353 0.654 571 HD22 LEU 78 2HD2 LEU 78 1.616 6.202 1.356 572 HD23 LEU 78 3HD2 LEU 78 1.727 4.477 1.010 573 H ARG 79 H ARG 79 1.097 7.000 6.308 574 HA ARG 79 HA ARG 79 -0.154 9.415 6.696 575 HB2 ARG 79 1HB ARG 79 -0.132 7.765 8.441 576 HB3 ARG 79 2HB ARG 79 1.619 7.855 8.576 577 HG2 ARG 79 1HG ARG 79 1.413 10.175 9.376 578 HG3 ARG 79 2HG ARG 79 -0.344 10.018 9.305 579 HD2 ARG 79 1HD ARG 79 1.189 7.978 10.830 580 HD3 ARG 79 2HD ARG 79 1.016 9.584 11.537 581 HE ARG 79 HE ARG 79 -1.066 7.611 11.154 582 HH11 ARG 79 1HH1 ARG 79 -0.288 10.943 11.795 583 HH12 ARG 79 2HH1 ARG 79 -1.821 11.298 12.520 584 HH21 ARG 79 1HH2 ARG 79 -3.088 8.065 12.107 585 HH22 ARG 79 2HH2 ARG 79 -3.413 9.660 12.697 586 H HIS 80 H HIS 80 3.316 8.727 6.775 587 HA HIS 80 HA HIS 80 4.195 11.244 7.633 588 HB2 HIS 80 1HB HIS 80 5.606 9.189 7.505 589 HB3 HIS 80 2HB HIS 80 5.638 9.364 5.753 590 HD1 HIS 80 HD1 HIS 80 7.290 10.502 8.818 591 HD2 HIS 80 HD2 HIS 80 7.048 11.728 4.856 592 HE1 HIS 80 HE1 HIS 80 9.188 12.120 8.498 593 HE2 HIS 80 HE2 HIS 80 8.970 12.913 6.117 594 H LEU 81 H LEU 81 3.834 9.964 4.330 595 HA LEU 81 HA LEU 81 4.651 12.256 2.962 596 HB2 LEU 81 1HB LEU 81 2.635 10.170 2.124 597 HB3 LEU 81 2HB LEU 81 3.379 11.338 1.049 598 HG LEU 81 HG LEU 81 4.918 9.252 2.594 599 HD11 LEU 81 1HD1 LEU 81 4.966 8.792 -0.200 600 HD12 LEU 81 2HD1 LEU 81 4.325 7.756 1.075 601 HD13 LEU 81 3HD1 LEU 81 3.280 8.943 0.296 602 HD21 LEU 81 1HD2 LEU 81 6.757 9.846 1.161 603 HD22 LEU 81 2HD2 LEU 81 5.747 10.983 0.269 604 HD23 LEU 81 3HD2 LEU 81 6.155 11.302 1.954 605 H GLU 82 H GLU 82 1.430 11.274 4.065 606 HA GLU 82 HA GLU 82 -0.074 13.304 2.915 607 HB2 GLU 82 1HB GLU 82 -1.055 11.363 4.058 608 HB3 GLU 82 2HB GLU 82 -0.491 11.984 5.603 609 HG2 GLU 82 1HG GLU 82 -1.889 14.094 4.882 610 HG3 GLU 82 2HG GLU 82 -2.732 12.907 3.888 611 H GLN 83 H GLN 83 1.662 13.274 6.004 612 HA GLN 83 HA GLN 83 0.822 15.772 6.942 613 HB2 GLN 83 1HB GLN 83 3.342 14.190 7.425 614 HB3 GLN 83 2HB GLN 83 3.010 15.710 8.244 615 HG2 GLN 83 1HG GLN 83 0.803 14.601 8.954 616 HG3 GLN 83 2HG GLN 83 1.587 13.092 8.490 617 HE21 GLN 83 1HE2 GLN 83 1.637 12.283 10.561 618 HE22 GLN 83 2HE2 GLN 83 2.669 12.919 11.791 619 H LYS 84 H LYS 84 3.410 14.873 4.739 620 HA LYS 84 HA LYS 84 4.431 17.577 4.591 621 HB2 LYS 84 1HB LYS 84 5.125 15.047 3.094 622 HB3 LYS 84 2HB LYS 84 5.910 16.594 2.802 623 HG2 LYS 84 1HG LYS 84 7.048 16.550 4.784 624 HG3 LYS 84 2HG LYS 84 5.840 15.541 5.582 625 HD2 LYS 84 1HD LYS 84 7.592 14.059 5.305 626 HD3 LYS 84 2HD LYS 84 6.615 13.736 3.871 627 HE2 LYS 84 1HE LYS 84 8.059 15.151 2.534 628 HE3 LYS 84 2HE LYS 84 8.996 15.585 3.962 629 HZ1 LYS 84 1HZ LYS 84 8.730 12.799 2.987 630 HZ2 LYS 84 2HZ LYS 84 9.809 13.387 4.148 631 HZ3 LYS 84 3HZ LYS 84 9.994 13.823 2.524 632 H GLY 85 H GLY 85 1.643 16.546 3.622 633 HA2 GLY 85 1HA GLY 85 0.155 17.184 1.995 634 HA3 GLY 85 2HA GLY 85 1.295 18.459 1.590 635 H LEU 86 H LEU 86 1.993 15.016 1.441 636 HA LEU 86 HA LEU 86 2.331 15.298 -1.469 637 HB2 LEU 86 1HB LEU 86 3.554 13.179 0.291 638 HB3 LEU 86 2HB LEU 86 3.973 13.563 -1.368 639 HG LEU 86 HG LEU 86 4.389 15.482 0.919 640 HD11 LEU 86 1HD1 LEU 86 6.308 14.501 1.477 641 HD12 LEU 86 2HD1 LEU 86 5.721 13.092 0.593 642 HD13 LEU 86 3HD1 LEU 86 6.769 14.262 -0.208 643 HD21 LEU 86 1HD2 LEU 86 5.156 15.419 -1.975 644 HD22 LEU 86 2HD2 LEU 86 4.397 16.714 -1.051 645 HD23 LEU 86 3HD2 LEU 86 6.103 16.339 -0.806 646 H LEU 87 H LEU 87 0.941 13.311 1.071 647 HA LEU 87 HA LEU 87 -0.493 11.773 -0.994 648 HB2 LEU 87 1HB LEU 87 1.197 10.716 0.818 649 HB3 LEU 87 2HB LEU 87 -0.289 10.674 1.747 650 HG LEU 87 HG LEU 87 -0.303 9.559 -1.022 651 HD11 LEU 87 1HD1 LEU 87 1.316 8.562 1.193 652 HD12 LEU 87 2HD1 LEU 87 0.199 7.368 0.532 653 HD13 LEU 87 3HD1 LEU 87 1.366 8.162 -0.524 654 HD21 LEU 87 1HD2 LEU 87 -2.325 9.832 0.525 655 HD22 LEU 87 2HD2 LEU 87 -2.079 8.260 -0.234 656 HD23 LEU 87 3HD2 LEU 87 -1.629 8.503 1.453 657 H PHE 88 H PHE 88 -2.441 12.698 -1.168 658 HA PHE 88 HA PHE 88 -3.792 14.129 0.808 659 HB2 PHE 88 1HB PHE 88 -5.609 14.210 -0.664 660 HB3 PHE 88 2HB PHE 88 -4.232 13.992 -1.739 661 HD1 PHE 88 HD1 PHE 88 -3.641 11.273 -1.869 662 HD2 PHE 88 HD2 PHE 88 -7.463 13.078 -1.368 663 HE1 PHE 88 HE1 PHE 88 -4.708 9.275 -2.831 664 HE2 PHE 88 HE2 PHE 88 -8.536 11.083 -2.328 665 HZ PHE 88 HZ PHE 88 -7.158 9.177 -3.060 666 H SER 89 H SER 89 -3.873 10.705 -0.004 667 HA SER 89 HA SER 89 -4.850 8.904 0.996 668 HB2 SER 89 1HB SER 89 -3.294 10.019 2.828 669 HB3 SER 89 2HB SER 89 -4.836 10.318 3.629 670 HG SER 89 HG SER 89 -3.444 8.009 3.389 671 H GLY 90 H GLY 90 -6.718 10.460 -0.205 672 HA2 GLY 90 1HA GLY 90 -9.060 10.328 -0.236 673 HA3 GLY 90 2HA GLY 90 -9.039 9.959 1.482 674 HA PRO 91 HA PRO 91 -10.572 14.280 1.082 675 HB2 PRO 91 1HB PRO 91 -12.429 14.032 3.047 676 HB3 PRO 91 2HB PRO 91 -12.736 13.562 1.371 677 HG2 PRO 91 1HG PRO 91 -11.993 11.851 3.712 678 HG3 PRO 91 2HG PRO 91 -13.199 11.553 2.446 679 HD2 PRO 91 1HD PRO 91 -10.744 10.410 2.419 680 HD3 PRO 91 2HD PRO 91 -11.616 10.836 0.932 681 H SER 92 H SER 92 -10.743 15.966 2.803 682 HA SER 92 HA SER 92 -8.555 15.625 4.694 683 HB2 SER 92 1HB SER 92 -8.694 18.060 4.980 684 HB3 SER 92 2HB SER 92 -8.594 17.636 3.271 685 HG SER 92 HG SER 92 -11.071 18.049 4.568 686 H SER 93 H SER 93 -12.011 16.309 4.662 687 HA SER 93 HA SER 93 -13.584 16.384 6.309 688 HB2 SER 93 1HB SER 93 -11.671 14.395 7.553 689 HB3 SER 93 2HB SER 93 -13.312 14.695 8.126 690 HG SER 93 HG SER 93 -13.251 12.916 6.712 691 H GLY 94 H GLY 94 -11.801 18.505 6.402 692 HA2 GLY 94 1HA GLY 94 -11.064 20.192 7.775 693 HA3 GLY 94 2HA GLY 94 -12.287 19.617 8.898
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