NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
513392 | 2kzy | 17023 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -44.891 -5.754 11.216 2 H2 GLY 1 2HT GLY 1 -44.571 -7.154 12.125 3 H3 GLY 1 3HT GLY 1 -45.605 -7.231 10.779 4 HA2 GLY 1 2HA GLY 1 -43.702 -6.573 9.348 5 HA3 GLY 1 1HA GLY 1 -42.677 -6.761 10.772 6 H SER 2 H SER 2 -45.122 -8.511 8.850 7 HA SER 2 HA SER 2 -44.194 -11.091 9.799 8 HB2 SER 2 2HB SER 2 -46.128 -10.531 7.546 9 HB3 SER 2 1HB SER 2 -45.959 -12.019 8.474 10 HG SER 2 HG SER 2 -47.458 -9.887 9.003 11 H MET 3 H MET 3 -44.361 -9.448 6.627 12 HA MET 3 HA MET 3 -42.770 -11.404 5.293 13 HB2 MET 3 2HB MET 3 -42.667 -9.717 3.457 14 HB3 MET 3 1HB MET 3 -44.308 -10.043 4.009 15 HG2 MET 3 2HG MET 3 -44.472 -7.984 5.144 16 HG3 MET 3 1HG MET 3 -42.723 -7.764 5.187 17 HE1 MET 3 3HE MET 3 -42.912 -5.249 4.264 18 HE2 MET 3 1HE MET 3 -44.636 -5.568 4.506 19 HE3 MET 3 2HE MET 3 -44.075 -4.827 3.009 20 H ALA 4 H ALA 4 -40.645 -11.104 4.391 21 HA ALA 4 HA ALA 4 -38.931 -9.211 5.894 22 HB1 ALA 4 1HB ALA 4 -38.555 -12.162 5.404 23 HB2 ALA 4 2HB ALA 4 -38.457 -11.276 6.926 24 HB3 ALA 4 3HB ALA 4 -37.181 -11.103 5.722 25 H GLN 5 H GLN 5 -40.105 -8.953 3.219 26 HA GLN 5 HA GLN 5 -37.682 -9.113 1.524 27 HB2 GLN 5 2HB GLN 5 -39.269 -8.967 -0.397 28 HB3 GLN 5 1HB GLN 5 -39.514 -10.402 0.594 29 HG2 GLN 5 2HG GLN 5 -41.473 -9.529 1.586 30 HG3 GLN 5 1HG GLN 5 -41.085 -7.878 1.106 31 HE21 GLN 5 1HE2 GLN 5 -42.466 -7.205 -0.529 32 HE22 GLN 5 2HE2 GLN 5 -43.025 -8.190 -1.804 33 H GLU 6 H GLU 6 -38.172 -6.996 3.469 34 HA GLU 6 HA GLU 6 -38.701 -4.675 1.716 35 HB2 GLU 6 2HB GLU 6 -39.933 -5.051 3.974 36 HB3 GLU 6 1HB GLU 6 -38.417 -4.522 4.704 37 HG2 GLU 6 2HG GLU 6 -38.522 -2.489 3.186 38 HG3 GLU 6 1HG GLU 6 -40.161 -2.983 2.768 39 H THR 7 H THR 7 -36.763 -4.332 0.706 40 HA THR 7 HA THR 7 -34.323 -4.139 2.339 41 HB THR 7 HB THR 7 -34.481 -3.836 -0.655 42 HG1 THR 7 1HG THR 7 -34.287 -6.222 0.868 43 HG21 THR 7 3HG2 THR 7 -32.391 -3.284 0.669 44 HG22 THR 7 1HG2 THR 7 -32.182 -4.522 -0.571 45 HG23 THR 7 2HG2 THR 7 -32.323 -4.986 1.126 46 H ASN 8 H ASN 8 -33.655 -2.214 3.043 47 HA ASN 8 HA ASN 8 -34.575 0.218 1.621 48 HB2 ASN 8 2HB ASN 8 -34.325 1.384 3.808 49 HB3 ASN 8 1HB ASN 8 -35.546 0.118 3.837 50 HD21 ASN 8 1HD2 ASN 8 -32.746 1.279 5.422 51 HD22 ASN 8 2HD2 ASN 8 -32.444 -0.095 6.387 52 H GLN 9 H GLN 9 -31.876 -1.216 3.452 53 HA GLN 9 HA GLN 9 -30.003 0.385 1.838 54 HB2 GLN 9 2HB GLN 9 -30.080 0.224 4.853 55 HB3 GLN 9 1HB GLN 9 -28.631 0.693 3.963 56 HG2 GLN 9 2HG GLN 9 -29.890 2.521 2.880 57 HG3 GLN 9 1HG GLN 9 -31.331 2.062 3.787 58 HE21 GLN 9 1HE2 GLN 9 -30.961 2.021 6.291 59 HE22 GLN 9 2HE2 GLN 9 -29.985 3.266 6.929 60 H THR 10 H THR 10 -27.886 -0.553 1.665 61 HA THR 10 HA THR 10 -27.924 -3.461 2.053 62 HB THR 10 HB THR 10 -27.373 -2.702 -0.191 63 HG1 THR 10 1HG THR 10 -25.018 -3.596 1.113 64 HG21 THR 10 3HG2 THR 10 -26.373 -0.663 -0.307 65 HG22 THR 10 1HG2 THR 10 -24.873 -1.573 -0.131 66 HG23 THR 10 2HG2 THR 10 -25.623 -0.829 1.279 67 HA PRO 11 HA PRO 11 -24.894 -2.981 5.308 68 HB2 PRO 11 2HB PRO 11 -24.392 -5.572 5.839 69 HB3 PRO 11 1HB PRO 11 -25.983 -4.855 6.169 70 HG2 PRO 11 2HG PRO 11 -25.155 -6.695 4.013 71 HG3 PRO 11 1HG PRO 11 -26.729 -6.503 4.796 72 HD2 PRO 11 2HD PRO 11 -25.920 -5.410 2.286 73 HD3 PRO 11 1HD PRO 11 -27.435 -5.088 3.157 74 H GLY 12 H GLY 12 -22.615 -3.374 5.785 75 HA2 GLY 12 2HA GLY 12 -20.406 -3.923 5.291 76 HA3 GLY 12 1HA GLY 12 -20.954 -4.655 3.784 77 HA PRO 13 HA PRO 13 -20.711 -0.150 2.347 78 HB2 PRO 13 2HB PRO 13 -20.669 1.937 4.102 79 HB3 PRO 13 1HB PRO 13 -22.180 1.192 3.537 80 HG2 PRO 13 2HG PRO 13 -20.716 0.801 6.100 81 HG3 PRO 13 1HG PRO 13 -22.460 0.933 5.803 82 HD2 PRO 13 2HD PRO 13 -21.184 -1.463 6.201 83 HD3 PRO 13 1HD PRO 13 -22.664 -1.298 5.231 84 H MET 14 H MET 14 -18.566 -1.090 2.005 85 HA MET 14 HA MET 14 -16.376 -0.500 3.750 86 HB2 MET 14 2HB MET 14 -16.755 -1.809 1.106 87 HB3 MET 14 1HB MET 14 -15.164 -1.103 1.385 88 HG2 MET 14 2HG MET 14 -16.490 -2.922 3.406 89 HG3 MET 14 1HG MET 14 -15.468 -3.542 2.113 90 HE1 MET 14 3HE MET 14 -14.737 -3.582 5.640 91 HE2 MET 14 1HE MET 14 -15.955 -2.337 5.329 92 HE3 MET 14 2HE MET 14 -14.413 -1.902 6.061 93 H LEU 15 H LEU 15 -17.147 1.879 3.812 94 HA LEU 15 HA LEU 15 -16.455 3.542 1.576 95 HB2 LEU 15 2HB LEU 15 -17.745 3.857 4.159 96 HB3 LEU 15 1HB LEU 15 -16.557 5.132 3.922 97 HG LEU 15 HG LEU 15 -18.786 5.796 3.084 98 HD11 LEU 15 1HD1 LEU 15 -16.927 5.350 0.744 99 HD12 LEU 15 2HD1 LEU 15 -16.632 6.563 1.990 100 HD13 LEU 15 3HD1 LEU 15 -18.071 6.671 0.979 101 HD21 LEU 15 3HD2 LEU 15 -19.432 3.403 2.425 102 HD22 LEU 15 1HD2 LEU 15 -18.491 3.664 0.955 103 HD23 LEU 15 2HD2 LEU 15 -19.897 4.673 1.294 104 H CYS 16 H CYS 16 -14.655 4.851 1.321 105 HA CYS 16 HA CYS 16 -12.163 3.872 1.993 106 HB2 CYS 16 2HB CYS 16 -12.772 5.663 0.276 107 HB3 CYS 16 1HB CYS 16 -12.645 6.821 1.606 108 H SER 17 H SER 17 -10.905 3.828 3.720 109 HA SER 17 HA SER 17 -11.761 4.743 6.252 110 HB2 SER 17 2HB SER 17 -9.113 3.714 5.245 111 HB3 SER 17 1HB SER 17 -9.350 4.209 6.923 112 HG SER 17 HG SER 17 -9.847 1.888 6.028 113 H THR 18 H THR 18 -9.729 6.252 3.803 114 HA THR 18 HA THR 18 -8.650 8.259 5.547 115 HB THR 18 HB THR 18 -7.881 9.360 3.484 116 HG1 THR 18 1HG THR 18 -9.195 9.051 1.883 117 HG21 THR 18 3HG2 THR 18 -7.519 6.350 3.411 118 HG22 THR 18 1HG2 THR 18 -6.627 7.445 4.468 119 HG23 THR 18 2HG2 THR 18 -6.429 7.553 2.720 120 H GLY 19 H GLY 19 -11.708 7.922 3.948 121 HA2 GLY 19 2HA GLY 19 -13.582 9.247 4.294 122 HA3 GLY 19 1HA GLY 19 -12.560 10.458 5.056 123 H CYS 20 H CYS 20 -12.314 9.043 1.767 124 HA CYS 20 HA CYS 20 -12.205 11.747 0.681 125 HB2 CYS 20 2HB CYS 20 -11.606 10.706 -1.444 126 HB3 CYS 20 1HB CYS 20 -10.594 10.086 -0.145 127 H GLY 21 H GLY 21 -14.565 9.214 1.033 128 HA2 GLY 21 2HA GLY 21 -16.894 9.677 0.835 129 HA3 GLY 21 1HA GLY 21 -16.527 10.892 -0.383 130 H PHE 22 H PHE 22 -14.753 8.057 -0.998 131 HA PHE 22 HA PHE 22 -16.744 7.173 -2.987 132 HB2 PHE 22 2HB PHE 22 -13.716 7.088 -3.048 133 HB3 PHE 22 1HB PHE 22 -14.759 6.325 -4.253 134 HD1 PHE 22 1HD PHE 22 -14.085 9.625 -2.616 135 HD2 PHE 22 2HD PHE 22 -15.527 7.570 -6.100 136 HE1 PHE 22 1HE PHE 22 -14.252 11.787 -3.820 137 HE2 PHE 22 2HE PHE 22 -15.701 9.734 -7.302 138 HZ PHE 22 HZ PHE 22 -15.064 11.843 -6.162 139 H TYR 23 H TYR 23 -16.730 4.882 -3.502 140 HA TYR 23 HA TYR 23 -16.782 3.232 -1.182 141 HB2 TYR 23 2HB TYR 23 -18.120 3.044 -3.409 142 HB3 TYR 23 1HB TYR 23 -16.715 2.148 -3.986 143 HD1 TYR 23 1HD TYR 23 -18.933 2.278 -0.937 144 HD2 TYR 23 2HD TYR 23 -16.744 -0.151 -3.723 145 HE1 TYR 23 1HE TYR 23 -19.794 0.229 0.168 146 HE2 TYR 23 2HE TYR 23 -17.597 -2.197 -2.611 147 HH TYR 23 HH TYR 23 -19.032 -2.204 0.392 148 H GLY 24 H GLY 24 -15.480 1.533 -0.578 149 HA2 GLY 24 2HA GLY 24 -12.763 1.453 -1.776 150 HA3 GLY 24 1HA GLY 24 -13.065 1.284 -0.048 151 H ASN 25 H ASN 25 -11.660 -0.730 -0.861 152 HA ASN 25 HA ASN 25 -13.572 -2.953 -1.308 153 HB2 ASN 25 2HB ASN 25 -11.811 -2.271 -3.199 154 HB3 ASN 25 1HB ASN 25 -10.735 -3.250 -2.207 155 HD21 ASN 25 1HD2 ASN 25 -10.616 -5.164 -3.458 156 HD22 ASN 25 2HD2 ASN 25 -11.979 -6.096 -3.881 157 HA PRO 26 HA PRO 26 -11.655 -4.389 2.457 158 HB2 PRO 26 2HB PRO 26 -12.729 -6.883 2.624 159 HB3 PRO 26 1HB PRO 26 -13.629 -5.395 2.973 160 HG2 PRO 26 2HG PRO 26 -13.736 -7.151 0.599 161 HG3 PRO 26 1HG PRO 26 -15.010 -6.179 1.347 162 HD2 PRO 26 2HD PRO 26 -13.564 -5.475 -0.956 163 HD3 PRO 26 1HD PRO 26 -14.547 -4.371 0.029 164 H ARG 27 H ARG 27 -11.257 -6.087 -0.592 165 HA ARG 27 HA ARG 27 -9.273 -7.957 0.311 166 HB2 ARG 27 2HB ARG 27 -10.159 -6.948 -2.386 167 HB3 ARG 27 1HB ARG 27 -8.719 -7.954 -2.224 168 HG2 ARG 27 2HG ARG 27 -10.325 -9.493 -0.794 169 HG3 ARG 27 1HG ARG 27 -11.589 -8.658 -1.701 170 HD2 ARG 27 2HD ARG 27 -9.254 -10.188 -2.879 171 HD3 ARG 27 1HD ARG 27 -10.936 -10.703 -2.883 172 HE ARG 27 HE ARG 27 -11.074 -8.312 -4.135 173 HH11 ARG 27 1HH2 ARG 27 -8.965 -11.087 -4.656 174 HH12 ARG 27 2HH2 ARG 27 -8.778 -10.751 -6.341 175 HH21 ARG 27 1HH1 ARG 27 -10.786 -7.935 -6.327 176 HH22 ARG 27 2HH1 ARG 27 -9.793 -8.988 -7.278 177 H THR 28 H THR 28 -9.318 -4.662 -0.906 178 HA THR 28 HA THR 28 -6.437 -4.421 -1.159 179 HB THR 28 HB THR 28 -6.892 -2.039 -1.527 180 HG1 THR 28 1HG THR 28 -8.442 -1.420 -0.212 181 HG21 THR 28 3HG2 THR 28 -8.628 -4.061 -2.896 182 HG22 THR 28 1HG2 THR 28 -7.293 -3.109 -3.542 183 HG23 THR 28 2HG2 THR 28 -8.858 -2.351 -3.263 184 H ASN 29 H ASN 29 -6.147 -1.890 0.318 185 HA ASN 29 HA ASN 29 -5.927 -3.011 3.008 186 HB2 ASN 29 2HB ASN 29 -4.571 -0.912 1.446 187 HB3 ASN 29 1HB ASN 29 -4.868 -0.455 3.125 188 HD21 ASN 29 1HD2 ASN 29 -4.538 -2.876 4.477 189 HD22 ASN 29 2HD2 ASN 29 -2.947 -3.446 4.256 190 H GLY 30 H GLY 30 -8.596 -2.118 1.831 191 HA2 GLY 30 2HA GLY 30 -10.506 -1.307 2.838 192 HA3 GLY 30 1HA GLY 30 -9.516 -0.647 4.137 193 H MET 31 H MET 31 -8.301 0.230 1.064 194 HA MET 31 HA MET 31 -9.579 2.890 1.244 195 HB2 MET 31 2HB MET 31 -6.792 1.973 0.641 196 HB3 MET 31 1HB MET 31 -7.375 3.449 -0.129 197 HG2 MET 31 2HG MET 31 -6.324 4.103 1.921 198 HG3 MET 31 1HG MET 31 -8.058 4.254 2.182 199 HE1 MET 31 3HE MET 31 -4.883 3.254 3.445 200 HE2 MET 31 1HE MET 31 -5.000 1.737 2.544 201 HE3 MET 31 2HE MET 31 -5.014 1.723 4.306 202 H CYS 32 H CYS 32 -9.969 3.985 -0.769 203 HA CYS 32 HA CYS 32 -11.078 2.291 -2.765 204 HB2 CYS 32 2HB CYS 32 -11.786 4.338 -3.855 205 HB3 CYS 32 1HB CYS 32 -12.036 4.504 -2.118 206 H SER 33 H SER 33 -10.373 3.716 -5.170 207 HA SER 33 HA SER 33 -7.983 2.281 -5.835 208 HB2 SER 33 2HB SER 33 -10.124 3.090 -7.268 209 HB3 SER 33 1HB SER 33 -8.967 4.335 -7.730 210 HG SER 33 HG SER 33 -8.517 2.726 -9.093 211 H VAL 34 H VAL 34 -8.728 5.773 -5.643 212 HA VAL 34 HA VAL 34 -6.117 6.617 -6.381 213 HB VAL 34 HB VAL 34 -8.106 8.235 -4.767 214 HG11 VAL 34 1HG1 VAL 34 -7.018 10.121 -5.710 215 HG12 VAL 34 2HG1 VAL 34 -6.201 9.141 -6.927 216 HG13 VAL 34 3HG1 VAL 34 -5.707 9.040 -5.236 217 HG21 VAL 34 3HG2 VAL 34 -9.393 7.425 -6.622 218 HG22 VAL 34 1HG2 VAL 34 -8.034 7.607 -7.732 219 HG23 VAL 34 2HG2 VAL 34 -8.847 9.034 -7.091 220 H CYS 35 H CYS 35 -7.707 6.690 -3.177 221 HA CYS 35 HA CYS 35 -5.520 7.547 -1.677 222 HB2 CYS 35 2HB CYS 35 -7.799 5.757 -0.802 223 HB3 CYS 35 1HB CYS 35 -6.704 6.623 0.277 224 H TYR 36 H TYR 36 -6.392 4.257 -2.668 225 HA TYR 36 HA TYR 36 -4.632 2.860 -0.948 226 HB2 TYR 36 2HB TYR 36 -6.450 1.747 -2.153 227 HB3 TYR 36 1HB TYR 36 -5.655 2.069 -3.693 228 HD1 TYR 36 1HD TYR 36 -4.489 0.753 -0.354 229 HD2 TYR 36 2HD TYR 36 -4.756 0.128 -4.597 230 HE1 TYR 36 1HE TYR 36 -3.209 -1.358 -0.124 231 HE2 TYR 36 2HE TYR 36 -3.479 -1.984 -4.366 232 HH TYR 36 HH TYR 36 -3.138 -3.712 -2.308 233 H LYS 37 H LYS 37 -4.086 4.494 -4.018 234 HA LYS 37 HA LYS 37 -1.514 3.316 -4.496 235 HB2 LYS 37 2HB LYS 37 -3.216 4.496 -6.130 236 HB3 LYS 37 1HB LYS 37 -2.351 5.953 -5.646 237 HG2 LYS 37 2HG LYS 37 -0.205 4.835 -6.275 238 HG3 LYS 37 1HG LYS 37 -1.140 3.462 -6.873 239 HD2 LYS 37 2HD LYS 37 -2.089 4.703 -8.624 240 HD3 LYS 37 1HD LYS 37 -1.754 6.246 -7.838 241 HE2 LYS 37 2HE LYS 37 0.618 6.016 -8.257 242 HE3 LYS 37 1HE LYS 37 0.394 4.379 -8.871 243 HZ1 LYS 37 3HZ LYS 37 0.584 6.291 -10.541 244 HZ2 LYS 37 1HZ LYS 37 -1.013 6.662 -10.107 245 HZ3 LYS 37 2HZ LYS 37 -0.647 5.144 -10.777 246 H GLU 38 H GLU 38 -2.640 6.486 -3.315 247 HA GLU 38 HA GLU 38 -0.089 7.625 -2.892 248 HB2 GLU 38 2HB GLU 38 -2.623 8.262 -1.359 249 HB3 GLU 38 1HB GLU 38 -1.229 9.315 -1.592 250 HG2 GLU 38 2HG GLU 38 -1.689 9.059 -4.123 251 HG3 GLU 38 1HG GLU 38 -3.267 8.425 -3.639 252 H HIS 39 H HIS 39 -2.243 5.815 -0.722 253 HA HIS 39 HA HIS 39 -0.743 6.125 1.649 254 HB2 HIS 39 2HB HIS 39 -3.121 5.356 1.500 255 HB3 HIS 39 1HB HIS 39 -2.541 3.808 0.889 256 HD1 HIS 39 1HD HIS 39 -2.413 5.982 3.999 257 HD2 HIS 39 2HD HIS 39 -1.585 2.061 2.854 258 HE1 HIS 39 1HE HIS 39 -1.967 4.691 6.129 259 HE2 HIS 39 2HE HIS 39 -1.471 2.298 5.450 260 H LEU 40 H LEU 40 -0.763 3.460 -0.736 261 HA LEU 40 HA LEU 40 1.137 1.857 0.601 262 HB2 LEU 40 2HB LEU 40 -0.471 1.507 -1.576 263 HB3 LEU 40 1HB LEU 40 1.104 1.662 -2.357 264 HG LEU 40 HG LEU 40 1.985 -0.087 -0.777 265 HD11 LEU 40 1HD1 LEU 40 -0.855 0.069 0.165 266 HD12 LEU 40 2HD1 LEU 40 0.623 -0.194 1.090 267 HD13 LEU 40 3HD1 LEU 40 -0.076 -1.515 0.155 268 HD21 LEU 40 3HD2 LEU 40 -0.396 -0.876 -2.488 269 HD22 LEU 40 1HD2 LEU 40 0.864 -1.976 -1.931 270 HD23 LEU 40 2HD2 LEU 40 1.262 -0.675 -3.053 271 H GLN 41 H GLN 41 1.530 4.569 -1.590 272 HA GLN 41 HA GLN 41 4.254 4.147 -2.281 273 HB2 GLN 41 2HB GLN 41 2.643 5.736 -3.413 274 HB3 GLN 41 1HB GLN 41 2.861 6.822 -2.042 275 HG2 GLN 41 2HG GLN 41 4.451 7.585 -3.609 276 HG3 GLN 41 1HG GLN 41 5.398 6.579 -2.512 277 HE21 GLN 41 1HE2 GLN 41 4.471 7.015 -5.801 278 HE22 GLN 41 2HE2 GLN 41 5.149 5.573 -6.407 279 H ARG 42 H ARG 42 2.680 5.887 0.373 280 HA ARG 42 HA ARG 42 5.105 6.909 1.505 281 HB2 ARG 42 2HB ARG 42 2.411 7.422 1.846 282 HB3 ARG 42 1HB ARG 42 2.815 6.593 3.345 283 HG2 ARG 42 2HG ARG 42 3.246 8.877 3.802 284 HG3 ARG 42 1HG ARG 42 4.839 8.194 3.471 285 HD2 ARG 42 2HD ARG 42 4.981 9.198 1.370 286 HD3 ARG 42 1HD ARG 42 3.235 9.338 1.204 287 HE ARG 42 HE ARG 42 4.029 10.952 3.362 288 HH11 ARG 42 1HH2 ARG 42 4.500 10.831 -0.123 289 HH12 ARG 42 2HH2 ARG 42 4.610 12.550 -0.269 290 HH21 ARG 42 1HH1 ARG 42 4.186 13.173 3.108 291 HH22 ARG 42 2HH1 ARG 42 4.432 13.862 1.538 292 H GLN 43 H GLN 43 3.236 3.960 1.920 293 HA GLN 43 HA GLN 43 4.546 3.125 4.339 294 HB2 GLN 43 2HB GLN 43 2.231 2.398 3.322 295 HB3 GLN 43 1HB GLN 43 3.204 1.208 2.460 296 HG2 GLN 43 2HG GLN 43 3.990 0.234 4.488 297 HG3 GLN 43 1HG GLN 43 3.407 1.589 5.452 298 HE21 GLN 43 1HE2 GLN 43 0.928 1.875 5.447 299 HE22 GLN 43 2HE2 GLN 43 -0.019 0.470 5.361 300 H GLN 44 H GLN 44 4.937 2.461 0.889 301 HA GLN 44 HA GLN 44 6.898 0.420 1.134 302 HB2 GLN 44 2HB GLN 44 5.499 1.021 -0.916 303 HB3 GLN 44 1HB GLN 44 6.658 2.320 -1.193 304 HG2 GLN 44 2HG GLN 44 8.395 0.862 -1.676 305 HG3 GLN 44 1HG GLN 44 7.712 -0.444 -0.708 306 HE21 GLN 44 1HE2 GLN 44 6.485 -2.008 -1.810 307 HE22 GLN 44 2HE2 GLN 44 5.992 -1.863 -3.437 308 H ASN 45 H ASN 45 7.124 3.945 0.869 309 HA ASN 45 HA ASN 45 9.917 4.132 0.473 310 HB2 ASN 45 2HB ASN 45 8.175 5.968 0.196 311 HB3 ASN 45 1HB ASN 45 8.247 6.166 1.946 312 HD21 ASN 45 1HD2 ASN 45 9.829 6.947 -1.039 313 HD22 ASN 45 2HD2 ASN 45 11.191 7.713 -0.355 314 H SER 46 H SER 46 8.019 3.597 3.369 315 HA SER 46 HA SER 46 9.993 4.341 5.279 316 HB2 SER 46 2HB SER 46 7.487 3.946 5.666 317 HB3 SER 46 1HB SER 46 7.884 2.231 5.711 318 HG SER 46 HG SER 46 8.202 4.103 7.607 319 H GLY 47 H GLY 47 8.886 1.061 4.357 320 HA2 GLY 47 2HA GLY 47 10.217 -0.807 3.848 321 HA3 GLY 47 1HA GLY 47 11.643 0.096 4.353 322 H ARG 48 H ARG 48 11.275 0.826 6.858 323 HA ARG 48 HA ARG 48 11.159 -1.705 8.299 324 HB2 ARG 48 2HB ARG 48 12.049 1.079 9.076 325 HB3 ARG 48 1HB ARG 48 12.011 -0.276 10.206 326 HG2 ARG 48 2HG ARG 48 13.429 -0.519 7.557 327 HG3 ARG 48 1HG ARG 48 14.236 0.200 8.951 328 HD2 ARG 48 2HD ARG 48 13.550 -1.887 10.249 329 HD3 ARG 48 1HD ARG 48 13.117 -2.596 8.696 330 HE ARG 48 HE ARG 48 15.661 -1.734 8.279 331 HH11 ARG 48 1HH2 ARG 48 14.228 -3.716 10.812 332 HH12 ARG 48 2HH2 ARG 48 15.681 -4.617 11.065 333 HH21 ARG 48 1HH1 ARG 48 17.511 -2.943 8.657 334 HH22 ARG 48 2HH1 ARG 48 17.516 -4.190 9.860 335 H MET 49 H MET 49 8.807 -1.901 7.982 336 HA MET 49 HA MET 49 7.109 -0.042 9.431 337 HB2 MET 49 2HB MET 49 5.246 -1.413 8.641 338 HB3 MET 49 1HB MET 49 6.319 -1.012 7.305 339 HG2 MET 49 2HG MET 49 7.430 -3.290 7.694 340 HG3 MET 49 1HG MET 49 6.078 -3.657 8.760 341 HE1 MET 49 3HE MET 49 5.644 -5.851 6.888 342 HE2 MET 49 1HE MET 49 7.150 -5.116 6.320 343 HE3 MET 49 2HE MET 49 5.854 -5.467 5.181 344 H SER 50 H SER 50 6.780 -0.169 11.546 345 HA SER 50 HA SER 50 6.315 -2.724 12.833 346 HB2 SER 50 2HB SER 50 8.799 -1.116 13.322 347 HB3 SER 50 1HB SER 50 8.087 -2.059 14.627 348 HG SER 50 HG SER 50 9.001 -2.950 12.093 349 HA PRO 51 HA PRO 51 3.992 0.691 14.825 350 HB2 PRO 51 2HB PRO 51 1.589 -0.540 15.011 351 HB3 PRO 51 1HB PRO 51 2.160 0.195 13.501 352 HG2 PRO 51 2HG PRO 51 2.021 -2.659 14.279 353 HG3 PRO 51 1HG PRO 51 1.828 -1.906 12.688 354 HD2 PRO 51 2HD PRO 51 4.155 -3.180 13.638 355 HD3 PRO 51 1HD PRO 51 4.049 -2.129 12.210 356 H MET 52 H MET 52 5.402 0.271 16.683 357 HA MET 52 HA MET 52 3.964 -1.084 18.855 358 HB2 MET 52 2HB MET 52 5.815 -2.558 17.726 359 HB3 MET 52 1HB MET 52 6.928 -1.513 18.609 360 HG2 MET 52 2HG MET 52 6.535 -3.285 20.114 361 HG3 MET 52 1HG MET 52 5.435 -2.024 20.671 362 HE1 MET 52 3HE MET 52 4.890 -4.579 17.423 363 HE2 MET 52 1HE MET 52 4.653 -5.928 18.542 364 HE3 MET 52 2HE MET 52 6.121 -4.958 18.627 365 H GLY 53 H GLY 53 4.197 1.680 18.287 366 HA2 GLY 53 2HA GLY 53 4.424 3.559 19.651 367 HA3 GLY 53 1HA GLY 53 5.383 2.599 20.774 368 H THR 54 H THR 54 7.574 1.867 19.802 369 HA THR 54 HA THR 54 8.817 4.211 18.486 370 HB THR 54 HB THR 54 9.718 3.872 20.705 371 HG1 THR 54 1HG THR 54 11.616 4.190 19.917 372 HG21 THR 54 3HG2 THR 54 10.140 1.009 19.802 373 HG22 THR 54 1HG2 THR 54 9.116 1.568 21.125 374 HG23 THR 54 2HG2 THR 54 10.871 1.695 21.254 375 H ALA 55 H ALA 55 10.801 3.658 17.183 376 HA ALA 55 HA ALA 55 10.712 1.018 15.909 377 HB1 ALA 55 1HB ALA 55 10.818 2.191 13.646 378 HB2 ALA 55 2HB ALA 55 10.268 3.642 14.483 379 HB3 ALA 55 3HB ALA 55 9.251 2.202 14.454 380 H SER 56 H SER 56 12.692 0.311 15.260 381 HA SER 56 HA SER 56 14.995 1.907 16.018 382 HB2 SER 56 2HB SER 56 14.928 -0.501 16.527 383 HB3 SER 56 1HB SER 56 14.828 -0.864 14.807 384 HG SER 56 HG SER 56 16.963 -0.979 15.327 385 H GLY 57 H GLY 57 16.720 2.472 14.626 386 HA2 GLY 57 2HA GLY 57 17.764 2.978 12.611 387 HA3 GLY 57 1HA GLY 57 16.470 2.138 11.760 388 H SER 58 H SER 58 17.288 5.149 13.445 389 HA SER 58 HA SER 58 15.486 6.602 11.626 390 HB2 SER 58 2HB SER 58 14.442 6.113 13.950 391 HB3 SER 58 1HB SER 58 15.582 7.313 14.550 392 HG SER 58 HG SER 58 13.529 8.189 13.914 393 H ASN 59 H ASN 59 18.367 6.289 11.639 394 HA ASN 59 HA ASN 59 19.484 8.753 12.692 395 HB2 ASN 59 2HB ASN 59 20.624 6.479 11.063 396 HB3 ASN 59 1HB ASN 59 21.556 7.918 11.480 397 HD21 ASN 59 1HD2 ASN 59 20.689 4.818 12.586 398 HD22 ASN 59 2HD2 ASN 59 21.138 5.012 14.211 399 H SER 60 H SER 60 20.422 10.412 11.408 400 HA SER 60 HA SER 60 19.773 10.458 8.553 401 HB2 SER 60 2HB SER 60 17.869 11.483 9.991 402 HB3 SER 60 1HB SER 60 18.990 12.816 10.255 403 HG SER 60 HG SER 60 18.693 13.432 8.264 404 HA PRO 61 HA PRO 61 24.004 12.135 9.485 405 HB2 PRO 61 2HB PRO 61 24.448 11.321 6.664 406 HB3 PRO 61 1HB PRO 61 25.397 10.941 8.112 407 HG2 PRO 61 2HG PRO 61 23.871 9.115 6.895 408 HG3 PRO 61 1HG PRO 61 24.105 9.133 8.651 409 HD2 PRO 61 2HD PRO 61 21.729 10.020 7.058 410 HD3 PRO 61 1HD PRO 61 21.790 9.228 8.648 411 H THR 62 H THR 62 24.939 14.093 8.838 412 HA THR 62 HA THR 62 23.208 15.839 7.268 413 HB THR 62 HB THR 62 24.976 17.565 8.001 414 HG1 THR 62 1HG THR 62 26.651 16.623 8.839 415 HG21 THR 62 3HG2 THR 62 23.995 17.685 10.263 416 HG22 THR 62 1HG2 THR 62 23.379 16.043 10.082 417 HG23 THR 62 2HG2 THR 62 22.761 17.336 9.053 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -48.658 -14.741 1.000 2 H2 GLY 1 2HT GLY 1 -47.150 -14.543 1.757 3 H3 GLY 1 3HT GLY 1 -47.387 -15.812 0.651 4 HA2 GLY 1 2HA GLY 1 -47.722 -14.193 -1.136 5 HA3 GLY 1 1HA GLY 1 -47.383 -12.909 0.024 6 H SER 2 H SER 2 -45.613 -12.432 -1.551 7 HA SER 2 HA SER 2 -43.375 -14.265 -1.666 8 HB2 SER 2 2HB SER 2 -42.284 -12.174 -2.746 9 HB3 SER 2 1HB SER 2 -43.586 -12.981 -3.614 10 HG SER 2 HG SER 2 -43.590 -10.534 -3.171 11 H MET 3 H MET 3 -41.478 -14.152 -0.536 12 HA MET 3 HA MET 3 -41.489 -12.458 1.850 13 HB2 MET 3 2HB MET 3 -39.725 -14.772 1.014 14 HB3 MET 3 1HB MET 3 -39.549 -13.882 2.527 15 HG2 MET 3 2HG MET 3 -42.155 -15.176 1.704 16 HG3 MET 3 1HG MET 3 -40.933 -16.028 2.650 17 HE1 MET 3 3HE MET 3 -44.290 -14.201 4.379 18 HE2 MET 3 1HE MET 3 -43.943 -15.067 2.875 19 HE3 MET 3 2HE MET 3 -43.903 -13.306 2.911 20 H ALA 4 H ALA 4 -41.018 -10.436 0.886 21 HA ALA 4 HA ALA 4 -38.171 -10.098 0.196 22 HB1 ALA 4 1HB ALA 4 -40.451 -8.781 -1.300 23 HB2 ALA 4 2HB ALA 4 -39.510 -10.147 -1.902 24 HB3 ALA 4 3HB ALA 4 -38.728 -8.590 -1.626 25 H GLN 5 H GLN 5 -39.676 -9.615 2.671 26 HA GLN 5 HA GLN 5 -39.323 -6.679 2.878 27 HB2 GLN 5 2HB GLN 5 -41.714 -7.705 3.113 28 HB3 GLN 5 1HB GLN 5 -41.145 -8.223 4.701 29 HG2 GLN 5 2HG GLN 5 -42.113 -6.101 5.100 30 HG3 GLN 5 1HG GLN 5 -40.380 -5.780 5.020 31 HE21 GLN 5 1HE2 GLN 5 -43.322 -5.765 2.942 32 HE22 GLN 5 2HE2 GLN 5 -42.774 -4.506 1.929 33 H GLU 6 H GLU 6 -37.309 -8.763 3.264 34 HA GLU 6 HA GLU 6 -36.928 -9.224 6.059 35 HB2 GLU 6 2HB GLU 6 -34.643 -9.950 5.375 36 HB3 GLU 6 1HB GLU 6 -35.919 -10.734 4.448 37 HG2 GLU 6 2HG GLU 6 -35.510 -9.390 2.534 38 HG3 GLU 6 1HG GLU 6 -34.569 -8.220 3.456 39 H THR 7 H THR 7 -34.558 -8.546 6.887 40 HA THR 7 HA THR 7 -34.674 -5.654 7.116 41 HB THR 7 HB THR 7 -32.630 -6.122 8.635 42 HG1 THR 7 1HG THR 7 -31.996 -8.110 8.282 43 HG21 THR 7 3HG2 THR 7 -35.129 -5.781 9.245 44 HG22 THR 7 1HG2 THR 7 -34.072 -6.516 10.451 45 HG23 THR 7 2HG2 THR 7 -35.152 -7.528 9.490 46 H ASN 8 H ASN 8 -33.592 -4.302 5.834 47 HA ASN 8 HA ASN 8 -31.398 -5.341 4.176 48 HB2 ASN 8 2HB ASN 8 -33.401 -4.032 3.234 49 HB3 ASN 8 1HB ASN 8 -32.640 -2.610 3.947 50 HD21 ASN 8 1HD2 ASN 8 -31.447 -1.523 2.380 51 HD22 ASN 8 2HD2 ASN 8 -30.515 -2.274 1.166 52 H GLN 9 H GLN 9 -32.056 -3.026 6.742 53 HA GLN 9 HA GLN 9 -29.666 -1.515 6.562 54 HB2 GLN 9 2HB GLN 9 -31.539 -2.097 8.860 55 HB3 GLN 9 1HB GLN 9 -30.140 -1.033 9.017 56 HG2 GLN 9 2HG GLN 9 -32.225 -0.654 6.860 57 HG3 GLN 9 1HG GLN 9 -32.361 0.104 8.445 58 HE21 GLN 9 1HE2 GLN 9 -30.600 1.644 9.071 59 HE22 GLN 9 2HE2 GLN 9 -29.703 2.425 7.848 60 H THR 10 H THR 10 -27.816 -2.731 6.350 61 HA THR 10 HA THR 10 -26.816 -4.000 8.759 62 HB THR 10 HB THR 10 -26.128 -6.053 7.309 63 HG1 THR 10 1HG THR 10 -28.473 -5.197 5.961 64 HG21 THR 10 3HG2 THR 10 -27.785 -7.235 8.369 65 HG22 THR 10 1HG2 THR 10 -29.053 -6.125 7.852 66 HG23 THR 10 2HG2 THR 10 -28.010 -5.702 9.210 67 HA PRO 11 HA PRO 11 -22.965 -2.373 7.323 68 HB2 PRO 11 2HB PRO 11 -21.186 -4.432 7.928 69 HB3 PRO 11 1HB PRO 11 -21.779 -3.224 9.079 70 HG2 PRO 11 2HG PRO 11 -22.662 -6.025 8.650 71 HG3 PRO 11 1HG PRO 11 -22.523 -5.096 10.153 72 HD2 PRO 11 2HD PRO 11 -24.920 -5.563 8.963 73 HD3 PRO 11 1HD PRO 11 -24.585 -4.074 9.877 74 H GLY 12 H GLY 12 -21.482 -2.421 5.575 75 HA2 GLY 12 2HA GLY 12 -20.799 -4.539 3.936 76 HA3 GLY 12 1HA GLY 12 -22.328 -3.936 3.299 77 HA PRO 13 HA PRO 13 -20.445 -0.554 1.163 78 HB2 PRO 13 2HB PRO 13 -21.237 1.821 2.370 79 HB3 PRO 13 1HB PRO 13 -22.224 0.877 1.235 80 HG2 PRO 13 2HG PRO 13 -22.295 0.930 4.213 81 HG3 PRO 13 1HG PRO 13 -23.635 0.884 3.051 82 HD2 PRO 13 2HD PRO 13 -22.862 -1.329 4.360 83 HD3 PRO 13 1HD PRO 13 -23.401 -1.409 2.668 84 H MET 14 H MET 14 -18.318 -1.231 1.887 85 HA MET 14 HA MET 14 -17.027 -0.019 4.139 86 HB2 MET 14 2HB MET 14 -16.365 -1.951 2.036 87 HB3 MET 14 1HB MET 14 -15.012 -0.877 2.383 88 HG2 MET 14 2HG MET 14 -14.821 -2.768 3.861 89 HG3 MET 14 1HG MET 14 -15.348 -1.400 4.838 90 HE1 MET 14 3HE MET 14 -16.740 -2.038 6.720 91 HE2 MET 14 1HE MET 14 -15.772 -3.501 6.496 92 HE3 MET 14 2HE MET 14 -17.494 -3.624 6.847 93 H LEU 15 H LEU 15 -17.322 2.223 3.926 94 HA LEU 15 HA LEU 15 -16.485 3.636 1.565 95 HB2 LEU 15 2HB LEU 15 -17.819 4.263 4.082 96 HB3 LEU 15 1HB LEU 15 -16.611 5.483 3.692 97 HG LEU 15 HG LEU 15 -17.613 5.603 1.371 98 HD11 LEU 15 1HD1 LEU 15 -19.807 3.972 2.691 99 HD12 LEU 15 2HD1 LEU 15 -18.743 3.406 1.403 100 HD13 LEU 15 3HD1 LEU 15 -19.894 4.705 1.090 101 HD21 LEU 15 3HD2 LEU 15 -18.173 7.327 2.951 102 HD22 LEU 15 1HD2 LEU 15 -19.306 6.267 3.790 103 HD23 LEU 15 2HD2 LEU 15 -19.674 6.841 2.163 104 H CYS 16 H CYS 16 -14.653 4.922 1.279 105 HA CYS 16 HA CYS 16 -12.192 3.950 2.013 106 HB2 CYS 16 2HB CYS 16 -12.770 5.751 0.276 107 HB3 CYS 16 1HB CYS 16 -12.593 6.905 1.601 108 H SER 17 H SER 17 -10.757 4.138 3.626 109 HA SER 17 HA SER 17 -11.586 4.953 6.217 110 HB2 SER 17 2HB SER 17 -8.699 4.627 5.438 111 HB3 SER 17 1HB SER 17 -9.490 4.211 6.961 112 HG SER 17 HG SER 17 -10.311 2.429 6.058 113 H THR 18 H THR 18 -9.715 6.540 3.679 114 HA THR 18 HA THR 18 -8.747 8.697 5.280 115 HB THR 18 HB THR 18 -8.204 9.760 3.125 116 HG1 THR 18 1HG THR 18 -9.752 9.265 1.741 117 HG21 THR 18 3HG2 THR 18 -7.576 6.837 2.823 118 HG22 THR 18 1HG2 THR 18 -6.920 7.747 4.183 119 HG23 THR 18 2HG2 THR 18 -6.535 8.229 2.530 120 H GLY 19 H GLY 19 -11.894 8.031 4.050 121 HA2 GLY 19 2HA GLY 19 -13.839 9.223 4.314 122 HA3 GLY 19 1HA GLY 19 -12.899 10.535 5.029 123 H CYS 20 H CYS 20 -12.028 9.285 1.863 124 HA CYS 20 HA CYS 20 -12.237 11.850 0.687 125 HB2 CYS 20 2HB CYS 20 -11.676 10.742 -1.436 126 HB3 CYS 20 1HB CYS 20 -10.617 10.209 -0.127 127 H GLY 21 H GLY 21 -14.628 9.393 1.157 128 HA2 GLY 21 2HA GLY 21 -16.944 9.797 0.884 129 HA3 GLY 21 1HA GLY 21 -16.568 11.026 -0.319 130 H PHE 22 H PHE 22 -14.758 8.211 -0.930 131 HA PHE 22 HA PHE 22 -16.614 7.440 -3.066 132 HB2 PHE 22 2HB PHE 22 -13.624 7.206 -2.719 133 HB3 PHE 22 1HB PHE 22 -14.486 6.311 -3.969 134 HD1 PHE 22 2HD PHE 22 -13.965 9.765 -2.628 135 HD2 PHE 22 1HD PHE 22 -15.076 7.336 -5.997 136 HE1 PHE 22 2HE PHE 22 -13.985 11.777 -4.076 137 HE2 PHE 22 1HE PHE 22 -15.091 9.351 -7.444 138 HZ PHE 22 HZ PHE 22 -14.547 11.569 -6.484 139 H TYR 23 H TYR 23 -15.848 4.961 -3.687 140 HA TYR 23 HA TYR 23 -16.684 3.387 -1.347 141 HB2 TYR 23 2HB TYR 23 -17.785 3.328 -3.740 142 HB3 TYR 23 1HB TYR 23 -16.437 2.252 -4.115 143 HD1 TYR 23 1HD TYR 23 -18.972 2.793 -1.399 144 HD2 TYR 23 2HD TYR 23 -16.747 -0.036 -3.749 145 HE1 TYR 23 1HE TYR 23 -20.169 0.930 -0.285 146 HE2 TYR 23 2HE TYR 23 -17.941 -1.900 -2.633 147 HH TYR 23 HH TYR 23 -20.688 -1.683 -1.132 148 H GLY 24 H GLY 24 -15.499 1.690 -0.540 149 HA2 GLY 24 2HA GLY 24 -12.725 1.397 -1.569 150 HA3 GLY 24 1HA GLY 24 -13.176 1.228 0.130 151 H ASN 25 H ASN 25 -11.784 -0.839 -0.763 152 HA ASN 25 HA ASN 25 -13.785 -2.963 -1.281 153 HB2 ASN 25 2HB ASN 25 -11.950 -2.307 -3.116 154 HB3 ASN 25 1HB ASN 25 -10.943 -3.361 -2.132 155 HD21 ASN 25 1HD2 ASN 25 -13.870 -3.282 -4.159 156 HD22 ASN 25 2HD2 ASN 25 -13.998 -4.974 -4.320 157 HA PRO 26 HA PRO 26 -12.053 -4.659 2.487 158 HB2 PRO 26 2HB PRO 26 -13.091 -7.168 2.425 159 HB3 PRO 26 1HB PRO 26 -14.065 -5.727 2.773 160 HG2 PRO 26 2HG PRO 26 -13.827 -7.281 0.247 161 HG3 PRO 26 1HG PRO 26 -15.259 -6.548 0.988 162 HD2 PRO 26 2HD PRO 26 -13.868 -5.409 -1.100 163 HD3 PRO 26 1HD PRO 26 -14.842 -4.481 0.059 164 H ARG 27 H ARG 27 -11.492 -6.193 -0.632 165 HA ARG 27 HA ARG 27 -9.531 -8.083 0.290 166 HB2 ARG 27 2HB ARG 27 -9.902 -6.963 -2.504 167 HB3 ARG 27 1HB ARG 27 -9.035 -8.436 -2.061 168 HG2 ARG 27 2HG ARG 27 -11.054 -9.515 -1.350 169 HG3 ARG 27 1HG ARG 27 -11.966 -8.011 -1.442 170 HD2 ARG 27 2HD ARG 27 -11.111 -8.110 -3.985 171 HD3 ARG 27 1HD ARG 27 -11.090 -9.835 -3.630 172 HE ARG 27 HE ARG 27 -13.412 -8.210 -4.011 173 HH11 ARG 27 1HH2 ARG 27 -12.221 -10.981 -2.202 174 HH12 ARG 27 2HH2 ARG 27 -13.799 -11.644 -1.975 175 HH21 ARG 27 1HH1 ARG 27 -15.434 -9.128 -3.700 176 HH22 ARG 27 2HH1 ARG 27 -15.601 -10.610 -2.818 177 H THR 28 H THR 28 -9.543 -4.758 -0.790 178 HA THR 28 HA THR 28 -6.637 -4.563 -0.916 179 HB THR 28 HB THR 28 -7.013 -2.222 -1.474 180 HG1 THR 28 1HG THR 28 -9.663 -2.756 -0.625 181 HG21 THR 28 3HG2 THR 28 -8.572 -2.458 -3.414 182 HG22 THR 28 1HG2 THR 28 -9.054 -4.036 -2.786 183 HG23 THR 28 2HG2 THR 28 -7.392 -3.768 -3.311 184 H ASN 29 H ASN 29 -6.596 -1.912 0.472 185 HA ASN 29 HA ASN 29 -6.445 -2.938 3.211 186 HB2 ASN 29 2HB ASN 29 -5.270 -0.561 1.800 187 HB3 ASN 29 1HB ASN 29 -5.353 -0.603 3.565 188 HD21 ASN 29 1HD2 ASN 29 -3.460 -1.431 4.463 189 HD22 ASN 29 2HD2 ASN 29 -2.487 -2.636 3.748 190 H GLY 30 H GLY 30 -9.085 -2.297 1.948 191 HA2 GLY 30 2HA GLY 30 -11.069 -1.469 2.774 192 HA3 GLY 30 1HA GLY 30 -10.176 -0.792 4.134 193 H MET 31 H MET 31 -8.835 0.133 1.099 194 HA MET 31 HA MET 31 -10.221 2.746 1.257 195 HB2 MET 31 2HB MET 31 -7.356 2.067 0.585 196 HB3 MET 31 1HB MET 31 -8.077 3.649 0.266 197 HG2 MET 31 2HG MET 31 -8.711 3.772 2.696 198 HG3 MET 31 1HG MET 31 -7.797 2.288 2.959 199 HE1 MET 31 3HE MET 31 -4.543 3.544 3.914 200 HE2 MET 31 1HE MET 31 -5.485 2.126 3.430 201 HE3 MET 31 2HE MET 31 -6.106 3.225 4.658 202 H CYS 32 H CYS 32 -10.109 3.977 -0.827 203 HA CYS 32 HA CYS 32 -11.212 2.352 -2.918 204 HB2 CYS 32 2HB CYS 32 -11.793 4.446 -3.977 205 HB3 CYS 32 1HB CYS 32 -12.125 4.574 -2.253 206 H SER 33 H SER 33 -10.389 3.707 -5.244 207 HA SER 33 HA SER 33 -7.974 2.286 -5.832 208 HB2 SER 33 2HB SER 33 -10.085 3.062 -7.318 209 HB3 SER 33 1HB SER 33 -8.937 4.319 -7.764 210 HG SER 33 HG SER 33 -8.661 1.503 -7.957 211 H VAL 34 H VAL 34 -8.717 5.777 -5.601 212 HA VAL 34 HA VAL 34 -6.100 6.627 -6.353 213 HB VAL 34 HB VAL 34 -8.169 8.186 -4.777 214 HG11 VAL 34 1HG1 VAL 34 -7.038 10.066 -6.172 215 HG12 VAL 34 2HG1 VAL 34 -5.725 8.908 -6.392 216 HG13 VAL 34 3HG1 VAL 34 -6.171 9.439 -4.770 217 HG21 VAL 34 3HG2 VAL 34 -8.799 9.041 -7.083 218 HG22 VAL 34 1HG2 VAL 34 -9.255 7.368 -6.760 219 HG23 VAL 34 2HG2 VAL 34 -7.839 7.722 -7.751 220 H CYS 35 H CYS 35 -7.712 6.704 -3.165 221 HA CYS 35 HA CYS 35 -5.518 7.567 -1.670 222 HB2 CYS 35 2HB CYS 35 -7.830 5.833 -0.764 223 HB3 CYS 35 1HB CYS 35 -6.734 6.721 0.294 224 H TYR 36 H TYR 36 -6.449 4.285 -2.618 225 HA TYR 36 HA TYR 36 -4.681 2.923 -0.859 226 HB2 TYR 36 2HB TYR 36 -6.608 1.844 -1.971 227 HB3 TYR 36 1HB TYR 36 -5.785 1.981 -3.522 228 HD1 TYR 36 1HD TYR 36 -4.579 0.967 -0.097 229 HD2 TYR 36 2HD TYR 36 -5.126 -0.146 -4.210 230 HE1 TYR 36 1HE TYR 36 -3.431 -1.187 0.333 231 HE2 TYR 36 2HE TYR 36 -3.982 -2.304 -3.777 232 HH TYR 36 HH TYR 36 -3.567 -3.616 -0.889 233 H LYS 37 H LYS 37 -4.192 4.412 -4.018 234 HA LYS 37 HA LYS 37 -1.679 3.106 -4.528 235 HB2 LYS 37 2HB LYS 37 -3.362 4.234 -6.190 236 HB3 LYS 37 1HB LYS 37 -2.486 5.709 -5.783 237 HG2 LYS 37 2HG LYS 37 -0.352 4.302 -6.287 238 HG3 LYS 37 1HG LYS 37 -1.461 3.217 -7.128 239 HD2 LYS 37 2HD LYS 37 -2.116 4.880 -8.668 240 HD3 LYS 37 1HD LYS 37 -1.490 6.185 -7.659 241 HE2 LYS 37 2HE LYS 37 0.805 5.440 -8.073 242 HE3 LYS 37 1HE LYS 37 0.212 4.082 -9.029 243 HZ1 LYS 37 3HZ LYS 37 -0.932 5.819 -10.438 244 HZ2 LYS 37 1HZ LYS 37 0.758 5.741 -10.570 245 HZ3 LYS 37 2HZ LYS 37 0.036 6.970 -9.646 246 H GLU 38 H GLU 38 -2.645 6.366 -3.437 247 HA GLU 38 HA GLU 38 -0.039 7.417 -3.122 248 HB2 GLU 38 2HB GLU 38 -2.630 8.107 -1.719 249 HB3 GLU 38 1HB GLU 38 -1.149 9.052 -1.582 250 HG2 GLU 38 2HG GLU 38 -2.316 8.390 -4.282 251 HG3 GLU 38 1HG GLU 38 -2.895 9.779 -3.357 252 H HIS 39 H HIS 39 -2.145 5.598 -0.953 253 HA HIS 39 HA HIS 39 -0.714 5.901 1.441 254 HB2 HIS 39 2HB HIS 39 -3.050 4.885 1.008 255 HB3 HIS 39 1HB HIS 39 -2.183 3.378 0.716 256 HD1 HIS 39 1HD HIS 39 -2.409 6.068 3.414 257 HD2 HIS 39 2HD HIS 39 -1.598 2.001 3.016 258 HE1 HIS 39 1HE HIS 39 -2.153 5.153 5.762 259 HE2 HIS 39 2HE HIS 39 -1.666 2.673 5.537 260 H LEU 40 H LEU 40 -0.503 3.285 -0.988 261 HA LEU 40 HA LEU 40 1.422 1.738 0.340 262 HB2 LEU 40 2HB LEU 40 0.233 1.841 -2.336 263 HB3 LEU 40 1HB LEU 40 1.908 1.283 -2.368 264 HG LEU 40 HG LEU 40 1.284 -0.314 -0.485 265 HD11 LEU 40 1HD1 LEU 40 -1.113 -0.814 -0.221 266 HD12 LEU 40 2HD1 LEU 40 -1.515 0.481 -1.348 267 HD13 LEU 40 3HD1 LEU 40 -0.778 0.864 0.208 268 HD21 LEU 40 3HD2 LEU 40 1.377 -0.797 -3.045 269 HD22 LEU 40 1HD2 LEU 40 -0.384 -0.833 -2.939 270 HD23 LEU 40 2HD2 LEU 40 0.581 -1.972 -1.997 271 H GLN 41 H GLN 41 1.816 4.658 -1.576 272 HA GLN 41 HA GLN 41 4.538 4.450 -2.231 273 HB2 GLN 41 2HB GLN 41 2.760 6.199 -2.945 274 HB3 GLN 41 1HB GLN 41 3.237 7.057 -1.483 275 HG2 GLN 41 2HG GLN 41 4.674 7.981 -3.074 276 HG3 GLN 41 1HG GLN 41 5.674 6.699 -2.383 277 HE21 GLN 41 1HE2 GLN 41 5.515 7.948 -5.223 278 HE22 GLN 41 2HE2 GLN 41 5.383 6.590 -6.248 279 H ARG 42 H ARG 42 2.968 5.736 0.697 280 HA ARG 42 HA ARG 42 5.378 6.606 1.956 281 HB2 ARG 42 2HB ARG 42 2.933 7.286 2.474 282 HB3 ARG 42 1HB ARG 42 2.889 5.828 3.462 283 HG2 ARG 42 2HG ARG 42 3.559 7.534 4.966 284 HG3 ARG 42 1HG ARG 42 5.063 6.714 4.540 285 HD2 ARG 42 2HD ARG 42 5.621 8.431 2.935 286 HD3 ARG 42 1HD ARG 42 4.044 9.189 3.123 287 HE ARG 42 HE ARG 42 5.344 9.100 5.643 288 HH11 ARG 42 1HH2 ARG 42 5.501 10.783 2.559 289 HH12 ARG 42 2HH2 ARG 42 6.305 12.157 3.232 290 HH21 ARG 42 1HH1 ARG 42 6.397 10.923 6.455 291 HH22 ARG 42 2HH1 ARG 42 6.806 12.238 5.404 292 H GLN 43 H GLN 43 3.691 3.531 1.828 293 HA GLN 43 HA GLN 43 4.907 2.290 4.079 294 HB2 GLN 43 2HB GLN 43 2.896 1.567 2.464 295 HB3 GLN 43 1HB GLN 43 4.183 0.656 1.682 296 HG2 GLN 43 2HG GLN 43 3.616 -0.919 3.247 297 HG3 GLN 43 1HG GLN 43 4.716 0.016 4.256 298 HE21 GLN 43 1HE2 GLN 43 3.829 0.797 6.190 299 HE22 GLN 43 2HE2 GLN 43 2.167 0.922 6.505 300 H GLN 44 H GLN 44 5.821 2.452 0.643 301 HA GLN 44 HA GLN 44 8.164 0.791 1.023 302 HB2 GLN 44 2HB GLN 44 6.652 1.014 -1.090 303 HB3 GLN 44 1HB GLN 44 7.668 2.409 -1.446 304 HG2 GLN 44 2HG GLN 44 9.681 1.009 -1.335 305 HG3 GLN 44 1HG GLN 44 8.703 -0.389 -0.896 306 HE21 GLN 44 1HE2 GLN 44 8.832 2.108 -3.505 307 HE22 GLN 44 2HE2 GLN 44 8.449 1.016 -4.757 308 H ASN 45 H ASN 45 7.922 3.674 2.296 309 HA ASN 45 HA ASN 45 9.839 5.334 1.081 310 HB2 ASN 45 2HB ASN 45 8.497 5.178 3.700 311 HB3 ASN 45 1HB ASN 45 10.103 5.894 3.783 312 HD21 ASN 45 1HD2 ASN 45 7.645 6.112 1.150 313 HD22 ASN 45 2HD2 ASN 45 7.544 7.814 1.197 314 H SER 46 H SER 46 10.213 2.588 3.251 315 HA SER 46 HA SER 46 13.062 3.023 3.609 316 HB2 SER 46 2HB SER 46 11.683 2.012 5.399 317 HB3 SER 46 1HB SER 46 11.345 0.642 4.346 318 HG SER 46 HG SER 46 13.377 -0.027 4.542 319 H GLY 47 H GLY 47 11.133 0.311 2.267 320 HA2 GLY 47 2HA GLY 47 11.458 -0.678 0.136 321 HA3 GLY 47 1HA GLY 47 13.045 0.074 0.048 322 H ARG 48 H ARG 48 14.250 -0.728 2.372 323 HA ARG 48 HA ARG 48 14.854 -3.486 1.786 324 HB2 ARG 48 2HB ARG 48 15.892 -1.512 3.822 325 HB3 ARG 48 1HB ARG 48 16.435 -3.189 3.769 326 HG2 ARG 48 2HG ARG 48 17.198 -2.912 1.467 327 HG3 ARG 48 1HG ARG 48 16.556 -1.270 1.425 328 HD2 ARG 48 2HD ARG 48 18.520 -1.998 3.573 329 HD3 ARG 48 1HD ARG 48 19.117 -1.694 1.944 330 HE ARG 48 HE ARG 48 17.479 0.445 2.468 331 HH11 ARG 48 1HH2 ARG 48 20.257 -0.961 4.101 332 HH12 ARG 48 2HH2 ARG 48 20.771 0.556 4.751 333 HH21 ARG 48 1HH1 ARG 48 18.204 2.385 3.331 334 HH22 ARG 48 2HH1 ARG 48 19.624 2.430 4.320 335 H MET 49 H MET 49 15.120 -5.032 3.719 336 HA MET 49 HA MET 49 12.522 -5.418 4.892 337 HB2 MET 49 2HB MET 49 15.136 -6.901 4.986 338 HB3 MET 49 1HB MET 49 13.831 -7.325 6.093 339 HG2 MET 49 2HG MET 49 12.311 -7.538 4.094 340 HG3 MET 49 1HG MET 49 13.729 -7.332 3.065 341 HE1 MET 49 3HE MET 49 13.884 -9.427 1.828 342 HE2 MET 49 1HE MET 49 14.865 -10.725 2.520 343 HE3 MET 49 2HE MET 49 15.449 -9.064 2.550 344 H SER 50 H SER 50 15.757 -4.578 6.105 345 HA SER 50 HA SER 50 14.501 -3.567 8.587 346 HB2 SER 50 2HB SER 50 16.652 -4.340 9.731 347 HB3 SER 50 1HB SER 50 15.506 -5.597 9.279 348 HG SER 50 HG SER 50 16.765 -6.126 7.559 349 HA PRO 51 HA PRO 51 16.945 0.028 7.702 350 HB2 PRO 51 2HB PRO 51 17.037 1.246 10.116 351 HB3 PRO 51 1HB PRO 51 15.531 1.096 9.190 352 HG2 PRO 51 2HG PRO 51 16.474 -0.467 11.534 353 HG3 PRO 51 1HG PRO 51 14.842 0.083 11.122 354 HD2 PRO 51 2HD PRO 51 15.799 -2.496 10.692 355 HD3 PRO 51 1HD PRO 51 14.408 -1.776 9.855 356 H MET 52 H MET 52 18.790 1.409 9.077 357 HA MET 52 HA MET 52 20.849 -0.461 10.041 358 HB2 MET 52 2HB MET 52 21.052 0.003 7.521 359 HB3 MET 52 1HB MET 52 21.503 1.643 7.985 360 HG2 MET 52 2HG MET 52 23.343 0.763 9.359 361 HG3 MET 52 1HG MET 52 22.890 -0.885 8.922 362 HE1 MET 52 3HE MET 52 25.506 -1.437 6.605 363 HE2 MET 52 1HE MET 52 23.849 -2.036 6.443 364 HE3 MET 52 2HE MET 52 24.559 -1.817 8.041 365 H GLY 53 H GLY 53 20.280 2.984 9.249 366 HA2 GLY 53 2HA GLY 53 20.072 4.380 11.401 367 HA3 GLY 53 1HA GLY 53 21.678 3.742 11.742 368 H THR 54 H THR 54 23.124 3.934 9.575 369 HA THR 54 HA THR 54 22.740 6.559 8.319 370 HB THR 54 HB THR 54 25.392 5.866 9.569 371 HG1 THR 54 1HG THR 54 24.258 6.068 11.360 372 HG21 THR 54 3HG2 THR 54 25.577 7.592 7.952 373 HG22 THR 54 1HG2 THR 54 25.494 8.433 9.500 374 HG23 THR 54 2HG2 THR 54 24.066 8.344 8.467 375 H ALA 55 H ALA 55 24.204 6.897 6.480 376 HA ALA 55 HA ALA 55 24.574 4.440 4.987 377 HB1 ALA 55 1HB ALA 55 25.004 5.850 3.103 378 HB2 ALA 55 2HB ALA 55 25.320 7.243 4.137 379 HB3 ALA 55 3HB ALA 55 23.684 6.598 4.001 380 H SER 56 H SER 56 26.350 3.250 5.258 381 HA SER 56 HA SER 56 28.942 4.627 5.680 382 HB2 SER 56 2HB SER 56 29.648 2.545 6.857 383 HB3 SER 56 1HB SER 56 28.328 3.383 7.669 384 HG SER 56 HG SER 56 28.175 0.991 7.265 385 H GLY 57 H GLY 57 30.763 2.846 5.154 386 HA2 GLY 57 2HA GLY 57 31.602 1.249 3.624 387 HA3 GLY 57 1HA GLY 57 30.118 1.394 2.688 388 H SER 58 H SER 58 32.711 3.601 3.799 389 HA SER 58 HA SER 58 33.248 4.363 1.026 390 HB2 SER 58 2HB SER 58 31.451 5.896 1.932 391 HB3 SER 58 1HB SER 58 32.630 6.465 3.111 392 HG SER 58 HG SER 58 32.395 7.604 0.972 393 H ASN 59 H ASN 59 34.730 2.903 3.078 394 HA ASN 59 HA ASN 59 36.920 4.772 3.726 395 HB2 ASN 59 2HB ASN 59 35.820 3.258 5.496 396 HB3 ASN 59 1HB ASN 59 36.670 1.933 4.704 397 HD21 ASN 59 1HD2 ASN 59 37.300 5.168 6.166 398 HD22 ASN 59 2HD2 ASN 59 38.864 4.780 6.701 399 H SER 60 H SER 60 39.089 4.212 3.223 400 HA SER 60 HA SER 60 39.399 2.152 1.114 401 HB2 SER 60 2HB SER 60 40.954 4.735 1.164 402 HB3 SER 60 1HB SER 60 40.777 3.588 -0.161 403 HG SER 60 HG SER 60 39.402 5.306 -0.528 404 HA PRO 61 HA PRO 61 42.526 1.283 4.373 405 HB2 PRO 61 2HB PRO 61 42.318 -1.410 4.389 406 HB3 PRO 61 1HB PRO 61 41.140 -0.373 5.220 407 HG2 PRO 61 2HG PRO 61 40.912 -1.790 2.616 408 HG3 PRO 61 1HG PRO 61 39.691 -1.526 3.871 409 HD2 PRO 61 2HD PRO 61 39.911 -0.026 1.534 410 HD3 PRO 61 1HD PRO 61 39.068 0.502 3.005 411 H THR 62 H THR 62 44.591 1.451 3.694 412 HA THR 62 HA THR 62 45.704 -0.528 1.874 413 HB THR 62 HB THR 62 46.085 2.375 1.170 414 HG1 THR 62 1HG THR 62 43.939 2.092 0.873 415 HG21 THR 62 3HG2 THR 62 46.596 1.291 -1.056 416 HG22 THR 62 1HG2 THR 62 46.474 -0.271 -0.246 417 HG23 THR 62 2HG2 THR 62 47.722 0.878 0.237 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -41.639 2.759 5.214 2 H2 GLY 1 2HT GLY 1 -42.937 2.464 4.158 3 H3 GLY 1 3HT GLY 1 -43.220 2.662 5.821 4 HA2 GLY 1 2HA GLY 1 -42.457 4.704 3.824 5 HA3 GLY 1 1HA GLY 1 -43.851 4.697 4.905 6 H SER 2 H SER 2 -40.305 4.876 4.845 7 HA SER 2 HA SER 2 -40.188 5.852 7.582 8 HB2 SER 2 2HB SER 2 -38.024 5.511 5.496 9 HB3 SER 2 1HB SER 2 -37.753 5.958 7.177 10 HG SER 2 HG SER 2 -37.694 3.870 7.454 11 H MET 3 H MET 3 -39.857 7.118 4.295 12 HA MET 3 HA MET 3 -40.021 9.853 5.392 13 HB2 MET 3 2HB MET 3 -37.996 8.804 3.417 14 HB3 MET 3 1HB MET 3 -38.390 10.520 3.540 15 HG2 MET 3 2HG MET 3 -37.648 10.634 5.800 16 HG3 MET 3 1HG MET 3 -37.592 8.878 5.946 17 HE1 MET 3 3HE MET 3 -34.588 11.752 4.127 18 HE2 MET 3 1HE MET 3 -35.446 11.907 5.667 19 HE3 MET 3 2HE MET 3 -36.338 11.961 4.150 20 H ALA 4 H ALA 4 -39.969 8.002 2.328 21 HA ALA 4 HA ALA 4 -42.407 9.451 1.494 22 HB1 ALA 4 1HB ALA 4 -40.031 8.860 -0.287 23 HB2 ALA 4 2HB ALA 4 -40.437 10.448 0.365 24 HB3 ALA 4 3HB ALA 4 -41.528 9.657 -0.771 25 H GLN 5 H GLN 5 -40.232 6.857 0.323 26 HA GLN 5 HA GLN 5 -42.564 5.043 0.195 27 HB2 GLN 5 2HB GLN 5 -41.923 6.055 -2.067 28 HB3 GLN 5 1HB GLN 5 -40.433 5.120 -1.940 29 HG2 GLN 5 2HG GLN 5 -41.834 3.061 -1.601 30 HG3 GLN 5 1HG GLN 5 -43.264 4.038 -1.937 31 HE21 GLN 5 1HE2 GLN 5 -40.170 2.961 -3.400 32 HE22 GLN 5 2HE2 GLN 5 -40.712 3.104 -5.012 33 H GLU 6 H GLU 6 -39.012 5.139 -0.247 34 HA GLU 6 HA GLU 6 -38.786 2.838 1.593 35 HB2 GLU 6 2HB GLU 6 -37.655 3.098 -1.185 36 HB3 GLU 6 1HB GLU 6 -36.879 2.073 0.024 37 HG2 GLU 6 2HG GLU 6 -39.185 1.021 0.394 38 HG3 GLU 6 1HG GLU 6 -39.679 1.840 -1.088 39 H THR 7 H THR 7 -36.253 2.489 1.963 40 HA THR 7 HA THR 7 -35.297 5.041 3.013 41 HB THR 7 HB THR 7 -33.424 3.375 3.878 42 HG1 THR 7 1HG THR 7 -33.882 1.497 3.000 43 HG21 THR 7 3HG2 THR 7 -34.600 3.244 5.885 44 HG22 THR 7 1HG2 THR 7 -36.144 2.965 5.079 45 HG23 THR 7 2HG2 THR 7 -35.429 4.578 5.082 46 H ASN 8 H ASN 8 -33.103 5.767 2.685 47 HA ASN 8 HA ASN 8 -32.107 5.136 -0.026 48 HB2 ASN 8 2HB ASN 8 -31.820 7.584 1.724 49 HB3 ASN 8 1HB ASN 8 -30.930 7.359 0.220 50 HD21 ASN 8 1HD2 ASN 8 -33.523 8.986 1.314 51 HD22 ASN 8 2HD2 ASN 8 -34.541 8.911 -0.053 52 H GLN 9 H GLN 9 -31.480 3.564 2.446 53 HA GLN 9 HA GLN 9 -28.583 4.101 2.704 54 HB2 GLN 9 2HB GLN 9 -30.438 2.442 4.428 55 HB3 GLN 9 1HB GLN 9 -28.705 2.634 4.696 56 HG2 GLN 9 2HG GLN 9 -29.053 5.107 4.846 57 HG3 GLN 9 1HG GLN 9 -30.792 4.829 4.732 58 HE21 GLN 9 1HE2 GLN 9 -31.614 5.127 6.814 59 HE22 GLN 9 2HE2 GLN 9 -30.950 4.434 8.224 60 H THR 10 H THR 10 -27.372 1.922 3.216 61 HA THR 10 HA THR 10 -28.297 -0.305 1.580 62 HB THR 10 HB THR 10 -27.148 1.083 -0.069 63 HG1 THR 10 1HG THR 10 -26.185 -0.610 -0.833 64 HG21 THR 10 3HG2 THR 10 -25.715 2.385 1.439 65 HG22 THR 10 1HG2 THR 10 -24.737 1.602 0.197 66 HG23 THR 10 2HG2 THR 10 -24.787 0.937 1.829 67 HA PRO 11 HA PRO 11 -26.029 -2.356 4.827 68 HB2 PRO 11 2HB PRO 11 -26.117 -4.915 3.969 69 HB3 PRO 11 1HB PRO 11 -27.576 -4.053 4.499 70 HG2 PRO 11 2HG PRO 11 -26.644 -4.688 1.757 71 HG3 PRO 11 1HG PRO 11 -28.288 -4.622 2.407 72 HD2 PRO 11 2HD PRO 11 -27.051 -2.598 0.906 73 HD3 PRO 11 1HD PRO 11 -28.510 -2.404 1.900 74 H GLY 12 H GLY 12 -23.890 -2.430 5.240 75 HA2 GLY 12 2HA GLY 12 -21.665 -3.071 5.024 76 HA3 GLY 12 1HA GLY 12 -22.049 -3.788 3.461 77 HA PRO 13 HA PRO 13 -21.383 0.664 2.074 78 HB2 PRO 13 2HB PRO 13 -21.516 2.786 3.777 79 HB3 PRO 13 1HB PRO 13 -22.952 2.080 3.005 80 HG2 PRO 13 2HG PRO 13 -21.943 1.760 5.781 81 HG3 PRO 13 1HG PRO 13 -23.609 1.849 5.181 82 HD2 PRO 13 2HD PRO 13 -22.316 -0.510 5.877 83 HD3 PRO 13 1HD PRO 13 -23.718 -0.405 4.786 84 H MET 14 H MET 14 -19.293 -0.620 2.298 85 HA MET 14 HA MET 14 -17.339 0.132 4.242 86 HB2 MET 14 2HB MET 14 -17.132 -1.294 1.578 87 HB3 MET 14 1HB MET 14 -15.758 -1.055 2.662 88 HG2 MET 14 2HG MET 14 -17.235 -2.144 4.475 89 HG3 MET 14 1HG MET 14 -18.263 -2.671 3.140 90 HE1 MET 14 3HE MET 14 -17.012 -4.122 5.275 91 HE2 MET 14 1HE MET 14 -15.257 -4.335 5.236 92 HE3 MET 14 2HE MET 14 -16.315 -5.592 4.601 93 H LEU 15 H LEU 15 -17.695 2.510 3.965 94 HA LEU 15 HA LEU 15 -16.755 3.824 1.592 95 HB2 LEU 15 2HB LEU 15 -17.883 4.598 4.205 96 HB3 LEU 15 1HB LEU 15 -16.708 5.744 3.577 97 HG LEU 15 HG LEU 15 -19.030 6.284 2.864 98 HD11 LEU 15 1HD1 LEU 15 -16.810 6.546 1.423 99 HD12 LEU 15 2HD1 LEU 15 -18.387 6.982 0.771 100 HD13 LEU 15 3HD1 LEU 15 -17.659 5.432 0.352 101 HD21 LEU 15 3HD2 LEU 15 -18.855 3.596 1.468 102 HD22 LEU 15 1HD2 LEU 15 -20.067 4.821 1.095 103 HD23 LEU 15 2HD2 LEU 15 -20.026 4.083 2.695 104 H CYS 16 H CYS 16 -14.826 4.928 1.248 105 HA CYS 16 HA CYS 16 -12.435 3.812 1.958 106 HB2 CYS 16 2HB CYS 16 -12.926 5.641 0.224 107 HB3 CYS 16 1HB CYS 16 -12.659 6.785 1.547 108 H SER 17 H SER 17 -10.957 3.925 3.542 109 HA SER 17 HA SER 17 -11.714 4.869 6.128 110 HB2 SER 17 2HB SER 17 -9.063 3.863 5.082 111 HB3 SER 17 1HB SER 17 -9.416 4.173 6.784 112 HG SER 17 HG SER 17 -10.174 2.095 5.156 113 H THR 18 H THR 18 -9.924 6.327 3.499 114 HA THR 18 HA THR 18 -8.629 8.312 5.144 115 HB THR 18 HB THR 18 -7.936 9.292 2.979 116 HG1 THR 18 1HG THR 18 -9.213 8.876 1.379 117 HG21 THR 18 3HG2 THR 18 -7.618 6.283 2.988 118 HG22 THR 18 1HG2 THR 18 -6.746 7.351 4.088 119 HG23 THR 18 2HG2 THR 18 -6.491 7.478 2.347 120 H GLY 19 H GLY 19 -11.763 8.025 3.693 121 HA2 GLY 19 2HA GLY 19 -13.565 9.449 4.043 122 HA3 GLY 19 1HA GLY 19 -12.457 10.666 4.672 123 H CYS 20 H CYS 20 -12.008 9.092 1.545 124 HA CYS 20 HA CYS 20 -11.949 11.646 0.227 125 HB2 CYS 20 2HB CYS 20 -11.551 10.366 -1.838 126 HB3 CYS 20 1HB CYS 20 -10.487 9.832 -0.535 127 H GLY 21 H GLY 21 -14.461 9.373 0.942 128 HA2 GLY 21 2HA GLY 21 -16.749 9.916 0.765 129 HA3 GLY 21 1HA GLY 21 -16.371 11.016 -0.552 130 H PHE 22 H PHE 22 -14.809 8.000 -0.956 131 HA PHE 22 HA PHE 22 -16.915 7.103 -2.823 132 HB2 PHE 22 2HB PHE 22 -13.905 6.895 -3.004 133 HB3 PHE 22 1HB PHE 22 -15.015 6.037 -4.076 134 HD1 PHE 22 1HD PHE 22 -16.795 7.462 -5.312 135 HD2 PHE 22 2HD PHE 22 -13.268 9.094 -3.493 136 HE1 PHE 22 1HE PHE 22 -17.008 9.490 -6.725 137 HE2 PHE 22 2HE PHE 22 -13.480 11.126 -4.900 138 HZ PHE 22 HZ PHE 22 -15.349 11.324 -6.519 139 H TYR 23 H TYR 23 -16.852 4.744 -3.295 140 HA TYR 23 HA TYR 23 -17.030 3.212 -0.898 141 HB2 TYR 23 2HB TYR 23 -18.262 2.874 -3.154 142 HB3 TYR 23 1HB TYR 23 -16.804 2.010 -3.652 143 HD1 TYR 23 2HD TYR 23 -19.203 2.189 -0.770 144 HD2 TYR 23 1HD TYR 23 -16.660 -0.277 -3.199 145 HE1 TYR 23 2HE TYR 23 -19.978 0.180 0.462 146 HE2 TYR 23 1HE TYR 23 -17.438 -2.287 -1.973 147 HH TYR 23 HH TYR 23 -20.095 -2.486 -0.268 148 H GLY 24 H GLY 24 -15.702 1.582 -0.106 149 HA2 GLY 24 2HA GLY 24 -12.914 1.594 -1.128 150 HA3 GLY 24 1HA GLY 24 -13.371 1.302 0.552 151 H ASN 25 H ASN 25 -11.724 -0.476 -0.828 152 HA ASN 25 HA ASN 25 -13.498 -2.793 -1.338 153 HB2 ASN 25 2HB ASN 25 -11.692 -1.850 -3.077 154 HB3 ASN 25 1HB ASN 25 -10.619 -2.872 -2.130 155 HD21 ASN 25 1HD2 ASN 25 -10.411 -4.354 -3.992 156 HD22 ASN 25 2HD2 ASN 25 -11.677 -5.432 -4.378 157 HA PRO 26 HA PRO 26 -11.657 -4.249 2.512 158 HB2 PRO 26 2HB PRO 26 -12.827 -6.708 2.633 159 HB3 PRO 26 1HB PRO 26 -13.661 -5.195 3.035 160 HG2 PRO 26 2HG PRO 26 -13.804 -6.833 0.562 161 HG3 PRO 26 1HG PRO 26 -15.089 -5.962 1.413 162 HD2 PRO 26 2HD PRO 26 -13.840 -5.019 -0.856 163 HD3 PRO 26 1HD PRO 26 -14.617 -3.973 0.351 164 H ARG 27 H ARG 27 -11.238 -5.739 -0.606 165 HA ARG 27 HA ARG 27 -9.372 -7.768 0.262 166 HB2 ARG 27 2HB ARG 27 -10.277 -6.696 -2.399 167 HB3 ARG 27 1HB ARG 27 -8.823 -7.691 -2.297 168 HG2 ARG 27 2HG ARG 27 -10.008 -9.568 -1.518 169 HG3 ARG 27 1HG ARG 27 -11.387 -8.596 -1.000 170 HD2 ARG 27 2HD ARG 27 -12.114 -8.236 -3.228 171 HD3 ARG 27 1HD ARG 27 -10.576 -8.770 -3.899 172 HE ARG 27 HE ARG 27 -11.909 -10.839 -2.402 173 HH11 ARG 27 1HH2 ARG 27 -11.744 -9.251 -5.537 174 HH12 ARG 27 2HH2 ARG 27 -12.365 -10.623 -6.382 175 HH21 ARG 27 1HH1 ARG 27 -12.721 -12.590 -3.556 176 HH22 ARG 27 2HH1 ARG 27 -12.917 -12.492 -5.274 177 H THR 28 H THR 28 -9.290 -4.461 -0.926 178 HA THR 28 HA THR 28 -6.417 -4.329 -1.214 179 HB THR 28 HB THR 28 -6.766 -1.945 -1.570 180 HG1 THR 28 1HG THR 28 -9.363 -2.463 -0.554 181 HG21 THR 28 3HG2 THR 28 -8.696 -2.049 -3.270 182 HG22 THR 28 1HG2 THR 28 -8.837 -3.747 -2.820 183 HG23 THR 28 2HG2 THR 28 -7.337 -3.143 -3.519 184 H ASN 29 H ASN 29 -6.068 -1.793 0.301 185 HA ASN 29 HA ASN 29 -5.703 -2.977 2.945 186 HB2 ASN 29 2HB ASN 29 -4.290 -1.074 1.327 187 HB3 ASN 29 1HB ASN 29 -4.735 -0.276 2.834 188 HD21 ASN 29 1HD2 ASN 29 -2.866 -2.962 1.456 189 HD22 ASN 29 2HD2 ASN 29 -1.968 -3.289 2.866 190 H GLY 30 H GLY 30 -8.446 -2.140 1.990 191 HA2 GLY 30 2HA GLY 30 -10.282 -1.382 3.179 192 HA3 GLY 30 1HA GLY 30 -9.191 -0.628 4.341 193 H MET 31 H MET 31 -8.333 0.146 1.127 194 HA MET 31 HA MET 31 -9.768 2.724 1.282 195 HB2 MET 31 2HB MET 31 -6.914 2.052 0.631 196 HB3 MET 31 1HB MET 31 -7.665 3.479 -0.094 197 HG2 MET 31 2HG MET 31 -6.671 4.262 1.904 198 HG3 MET 31 1HG MET 31 -8.381 4.113 2.290 199 HE1 MET 31 3HE MET 31 -5.681 4.367 3.678 200 HE2 MET 31 1HE MET 31 -4.761 2.867 3.858 201 HE3 MET 31 2HE MET 31 -5.805 3.424 5.162 202 H CYS 32 H CYS 32 -10.030 3.776 -0.827 203 HA CYS 32 HA CYS 32 -11.137 1.981 -2.742 204 HB2 CYS 32 2HB CYS 32 -11.837 3.979 -3.931 205 HB3 CYS 32 1HB CYS 32 -12.108 4.215 -2.209 206 H SER 33 H SER 33 -10.368 3.376 -5.191 207 HA SER 33 HA SER 33 -7.974 1.892 -5.743 208 HB2 SER 33 2HB SER 33 -10.120 2.818 -7.231 209 HB3 SER 33 1HB SER 33 -8.775 3.787 -7.817 210 HG SER 33 HG SER 33 -9.329 1.180 -8.222 211 H VAL 34 H VAL 34 -8.711 5.406 -5.823 212 HA VAL 34 HA VAL 34 -6.070 6.197 -6.486 213 HB VAL 34 HB VAL 34 -8.080 7.909 -5.002 214 HG11 VAL 34 1HG1 VAL 34 -5.995 9.035 -5.179 215 HG12 VAL 34 2HG1 VAL 34 -6.944 9.648 -6.535 216 HG13 VAL 34 3HG1 VAL 34 -5.709 8.420 -6.808 217 HG21 VAL 34 3HG2 VAL 34 -7.892 7.245 -7.959 218 HG22 VAL 34 1HG2 VAL 34 -8.779 8.632 -7.328 219 HG23 VAL 34 2HG2 VAL 34 -9.278 6.998 -6.897 220 H CYS 35 H CYS 35 -7.759 6.364 -3.338 221 HA CYS 35 HA CYS 35 -5.620 7.319 -1.822 222 HB2 CYS 35 2HB CYS 35 -7.896 5.538 -0.938 223 HB3 CYS 35 1HB CYS 35 -6.830 6.436 0.140 224 H TYR 36 H TYR 36 -6.419 3.966 -2.673 225 HA TYR 36 HA TYR 36 -4.742 2.632 -0.875 226 HB2 TYR 36 2HB TYR 36 -6.378 1.406 -2.178 227 HB3 TYR 36 1HB TYR 36 -5.572 1.845 -3.682 228 HD1 TYR 36 2HD TYR 36 -4.216 0.558 -0.405 229 HD2 TYR 36 1HD TYR 36 -4.683 -0.111 -4.623 230 HE1 TYR 36 2HE TYR 36 -2.786 -1.457 -0.240 231 HE2 TYR 36 1HE TYR 36 -3.254 -2.130 -4.456 232 HH TYR 36 HH TYR 36 -2.589 -3.694 -1.712 233 H LYS 37 H LYS 37 -3.970 3.994 -4.063 234 HA LYS 37 HA LYS 37 -1.268 3.017 -4.074 235 HB2 LYS 37 2HB LYS 37 -2.724 3.678 -6.099 236 HB3 LYS 37 1HB LYS 37 -2.278 5.336 -5.705 237 HG2 LYS 37 2HG LYS 37 0.145 4.581 -5.747 238 HG3 LYS 37 1HG LYS 37 -0.425 3.053 -6.418 239 HD2 LYS 37 2HD LYS 37 0.147 4.390 -8.305 240 HD3 LYS 37 1HD LYS 37 -1.613 4.450 -8.205 241 HE2 LYS 37 2HE LYS 37 -1.571 6.621 -7.189 242 HE3 LYS 37 1HE LYS 37 0.172 6.537 -6.935 243 HZ1 LYS 37 3HZ LYS 37 -1.170 6.562 -9.583 244 HZ2 LYS 37 1HZ LYS 37 0.503 6.539 -9.312 245 HZ3 LYS 37 2HZ LYS 37 -0.411 7.899 -8.859 246 H GLU 38 H GLU 38 -2.823 6.146 -3.458 247 HA GLU 38 HA GLU 38 -0.579 7.729 -3.060 248 HB2 GLU 38 2HB GLU 38 -3.309 7.858 -1.773 249 HB3 GLU 38 1HB GLU 38 -2.089 9.120 -1.595 250 HG2 GLU 38 2HG GLU 38 -2.926 8.119 -4.317 251 HG3 GLU 38 1HG GLU 38 -3.810 9.410 -3.497 252 H HIS 39 H HIS 39 -2.198 5.606 -0.683 253 HA HIS 39 HA HIS 39 -0.332 6.480 1.378 254 HB2 HIS 39 2HB HIS 39 -1.604 5.320 2.959 255 HB3 HIS 39 1HB HIS 39 -2.795 5.928 1.817 256 HD1 HIS 39 1HD HIS 39 -4.565 4.217 1.520 257 HD2 HIS 39 2HD HIS 39 -0.817 2.431 1.893 258 HE1 HIS 39 1HE HIS 39 -4.939 1.718 1.372 259 HE2 HIS 39 2HE HIS 39 -2.665 0.616 1.595 260 H LEU 40 H LEU 40 -0.711 3.738 -0.770 261 HA LEU 40 HA LEU 40 1.082 1.951 0.487 262 HB2 LEU 40 2HB LEU 40 -0.501 1.381 -1.386 263 HB3 LEU 40 1HB LEU 40 0.607 2.196 -2.495 264 HG LEU 40 HG LEU 40 2.414 0.626 -1.427 265 HD11 LEU 40 1HD1 LEU 40 -0.197 -0.703 -0.669 266 HD12 LEU 40 2HD1 LEU 40 1.161 -0.306 0.385 267 HD13 LEU 40 3HD1 LEU 40 1.316 -1.598 -0.806 268 HD21 LEU 40 3HD2 LEU 40 1.616 -1.251 -3.012 269 HD22 LEU 40 1HD2 LEU 40 1.894 0.338 -3.724 270 HD23 LEU 40 2HD2 LEU 40 0.250 -0.196 -3.371 271 H GLN 41 H GLN 41 1.641 4.802 -1.476 272 HA GLN 41 HA GLN 41 4.345 4.240 -2.192 273 HB2 GLN 41 2HB GLN 41 2.534 6.608 -2.245 274 HB3 GLN 41 1HB GLN 41 4.262 6.927 -2.280 275 HG2 GLN 41 2HG GLN 41 4.280 5.053 -4.131 276 HG3 GLN 41 1HG GLN 41 2.571 5.463 -4.280 277 HE21 GLN 41 1HE2 GLN 41 5.666 7.310 -3.914 278 HE22 GLN 41 2HE2 GLN 41 5.288 8.446 -5.133 279 H ARG 42 H ARG 42 2.797 5.890 0.537 280 HA ARG 42 HA ARG 42 5.236 6.814 1.728 281 HB2 ARG 42 2HB ARG 42 2.472 6.394 2.888 282 HB3 ARG 42 1HB ARG 42 3.807 7.162 3.747 283 HG2 ARG 42 2HG ARG 42 3.957 8.893 2.012 284 HG3 ARG 42 1HG ARG 42 2.662 8.112 1.105 285 HD2 ARG 42 2HD ARG 42 1.026 8.795 2.577 286 HD3 ARG 42 1HD ARG 42 2.120 8.809 3.958 287 HE ARG 42 HE ARG 42 1.538 11.012 2.227 288 HH11 ARG 42 1HH2 ARG 42 4.120 9.587 4.145 289 HH12 ARG 42 2HH2 ARG 42 4.909 11.104 4.397 290 HH21 ARG 42 1HH1 ARG 42 2.620 12.954 2.592 291 HH22 ARG 42 2HH1 ARG 42 4.082 12.980 3.521 292 H GLN 43 H GLN 43 3.373 3.839 1.900 293 HA GLN 43 HA GLN 43 4.651 2.793 4.242 294 HB2 GLN 43 2HB GLN 43 2.937 1.619 2.066 295 HB3 GLN 43 1HB GLN 43 3.706 0.584 3.270 296 HG2 GLN 43 2HG GLN 43 2.675 2.320 4.975 297 HG3 GLN 43 1HG GLN 43 1.576 2.665 3.642 298 HE21 GLN 43 1HE2 GLN 43 0.514 0.603 2.648 299 HE22 GLN 43 2HE2 GLN 43 0.091 -0.629 3.737 300 H GLN 44 H GLN 44 5.281 2.643 0.770 301 HA GLN 44 HA GLN 44 7.308 0.612 0.976 302 HB2 GLN 44 2HB GLN 44 5.850 1.303 -1.085 303 HB3 GLN 44 1HB GLN 44 7.101 2.524 -1.330 304 HG2 GLN 44 2HG GLN 44 8.815 0.861 -1.519 305 HG3 GLN 44 1HG GLN 44 7.734 -0.409 -0.946 306 HE21 GLN 44 1HE2 GLN 44 8.376 1.758 -3.704 307 HE22 GLN 44 2HE2 GLN 44 7.510 0.826 -4.843 308 H ASN 45 H ASN 45 7.228 4.136 0.960 309 HA ASN 45 HA ASN 45 10.001 4.580 0.577 310 HB2 ASN 45 2HB ASN 45 7.714 6.208 1.610 311 HB3 ASN 45 1HB ASN 45 9.356 6.807 1.832 312 HD21 ASN 45 1HD2 ASN 45 10.383 7.748 0.019 313 HD22 ASN 45 2HD2 ASN 45 9.713 7.753 -1.549 314 H SER 46 H SER 46 8.279 3.420 3.352 315 HA SER 46 HA SER 46 10.003 4.415 5.384 316 HB2 SER 46 2HB SER 46 8.531 1.802 5.594 317 HB3 SER 46 1HB SER 46 8.879 2.979 6.856 318 HG SER 46 HG SER 46 7.121 3.995 6.331 319 H GLY 47 H GLY 47 10.107 1.572 3.296 320 HA2 GLY 47 2HA GLY 47 11.815 0.099 2.827 321 HA3 GLY 47 1HA GLY 47 12.906 1.209 3.651 322 H ARG 48 H ARG 48 10.211 -0.980 4.539 323 HA ARG 48 HA ARG 48 11.519 -1.615 7.067 324 HB2 ARG 48 2HB ARG 48 8.841 -2.226 5.848 325 HB3 ARG 48 1HB ARG 48 9.408 -3.128 7.254 326 HG2 ARG 48 2HG ARG 48 9.807 -0.944 8.423 327 HG3 ARG 48 1HG ARG 48 9.069 -0.123 7.048 328 HD2 ARG 48 2HD ARG 48 7.668 -2.308 8.598 329 HD3 ARG 48 1HD ARG 48 7.507 -0.602 8.998 330 HE ARG 48 HE ARG 48 6.947 -0.866 6.268 331 HH11 ARG 48 1HH2 ARG 48 5.566 -1.957 9.314 332 HH12 ARG 48 2HH2 ARG 48 3.956 -1.993 8.687 333 HH21 ARG 48 1HH1 ARG 48 4.836 -0.926 5.519 334 HH22 ARG 48 2HH1 ARG 48 3.545 -1.416 6.564 335 H MET 49 H MET 49 10.628 -3.253 4.042 336 HA MET 49 HA MET 49 12.227 -5.597 4.900 337 HB2 MET 49 2HB MET 49 9.659 -5.728 4.260 338 HB3 MET 49 1HB MET 49 10.292 -5.721 2.615 339 HG2 MET 49 2HG MET 49 11.798 -7.626 3.249 340 HG3 MET 49 1HG MET 49 10.993 -7.683 4.817 341 HE1 MET 49 3HE MET 49 11.236 -10.001 3.698 342 HE2 MET 49 1HE MET 49 9.908 -10.786 2.834 343 HE3 MET 49 2HE MET 49 9.710 -10.319 4.520 344 H SER 50 H SER 50 13.380 -3.185 3.808 345 HA SER 50 HA SER 50 14.754 -4.359 1.510 346 HB2 SER 50 2HB SER 50 14.540 -2.114 0.310 347 HB3 SER 50 1HB SER 50 13.101 -3.130 0.332 348 HG SER 50 HG SER 50 13.673 -0.764 1.717 349 HA PRO 51 HA PRO 51 18.175 -2.317 3.468 350 HB2 PRO 51 2HB PRO 51 19.945 -2.016 1.432 351 HB3 PRO 51 1HB PRO 51 19.528 -3.607 2.101 352 HG2 PRO 51 2HG PRO 51 18.591 -2.300 -0.399 353 HG3 PRO 51 1HG PRO 51 18.986 -3.997 -0.089 354 HD2 PRO 51 2HD PRO 51 16.407 -2.989 -0.157 355 HD3 PRO 51 1HD PRO 51 16.880 -4.475 0.691 356 H MET 52 H MET 52 19.155 -0.287 3.825 357 HA MET 52 HA MET 52 18.520 1.908 1.984 358 HB2 MET 52 2HB MET 52 17.731 3.323 3.879 359 HB3 MET 52 1HB MET 52 16.654 1.973 3.529 360 HG2 MET 52 2HG MET 52 18.823 1.577 5.565 361 HG3 MET 52 1HG MET 52 17.406 2.518 6.027 362 HE1 MET 52 3HE MET 52 16.844 0.146 7.991 363 HE2 MET 52 1HE MET 52 18.485 0.273 7.340 364 HE3 MET 52 2HE MET 52 17.629 -1.267 7.295 365 H GLY 53 H GLY 53 19.692 3.931 2.591 366 HA2 GLY 53 2HA GLY 53 21.484 5.021 3.760 367 HA3 GLY 53 1HA GLY 53 22.150 3.439 4.152 368 H THR 54 H THR 54 22.493 2.087 1.968 369 HA THR 54 HA THR 54 24.456 3.603 0.459 370 HB THR 54 HB THR 54 24.896 1.389 -0.624 371 HG1 THR 54 1HG THR 54 23.590 -0.223 -0.265 372 HG21 THR 54 3HG2 THR 54 26.129 2.029 1.385 373 HG22 THR 54 1HG2 THR 54 25.757 0.307 1.446 374 HG23 THR 54 2HG2 THR 54 24.814 1.447 2.405 375 H ALA 55 H ALA 55 23.794 4.834 -1.188 376 HA ALA 55 HA ALA 55 21.407 4.094 -2.716 377 HB1 ALA 55 1HB ALA 55 21.910 6.373 -3.814 378 HB2 ALA 55 2HB ALA 55 23.087 6.586 -2.516 379 HB3 ALA 55 3HB ALA 55 21.378 6.374 -2.132 380 H SER 56 H SER 56 21.474 4.320 -5.101 381 HA SER 56 HA SER 56 24.079 3.837 -6.345 382 HB2 SER 56 2HB SER 56 23.226 1.806 -7.497 383 HB3 SER 56 1HB SER 56 23.335 1.594 -5.750 384 HG SER 56 HG SER 56 21.334 0.890 -6.299 385 H GLY 57 H GLY 57 22.202 6.040 -6.446 386 HA2 GLY 57 2HA GLY 57 21.641 7.513 -8.166 387 HA3 GLY 57 1HA GLY 57 21.884 6.213 -9.329 388 H SER 58 H SER 58 19.786 6.474 -6.455 389 HA SER 58 HA SER 58 17.393 6.430 -8.129 390 HB2 SER 58 2HB SER 58 16.527 4.485 -6.661 391 HB3 SER 58 1HB SER 58 17.646 4.097 -7.965 392 HG SER 58 HG SER 58 17.967 3.970 -5.229 393 H ASN 59 H ASN 59 18.588 8.371 -6.323 394 HA ASN 59 HA ASN 59 17.141 8.338 -3.835 395 HB2 ASN 59 2HB ASN 59 18.767 10.457 -5.248 396 HB3 ASN 59 1HB ASN 59 17.989 10.720 -3.687 397 HD21 ASN 59 1HD2 ASN 59 18.930 9.723 -1.821 398 HD22 ASN 59 2HD2 ASN 59 20.385 8.852 -1.884 399 H SER 60 H SER 60 15.189 9.178 -3.380 400 HA SER 60 HA SER 60 13.600 10.258 -5.577 401 HB2 SER 60 2HB SER 60 12.767 9.702 -2.722 402 HB3 SER 60 1HB SER 60 11.707 9.973 -4.103 403 HG SER 60 HG SER 60 12.024 7.982 -4.720 404 HA PRO 61 HA PRO 61 14.016 14.457 -4.215 405 HB2 PRO 61 2HB PRO 61 11.719 15.595 -5.120 406 HB3 PRO 61 1HB PRO 61 13.011 15.055 -6.209 407 HG2 PRO 61 2HG PRO 61 10.427 13.747 -5.546 408 HG3 PRO 61 1HG PRO 61 11.292 13.830 -7.090 409 HD2 PRO 61 2HD PRO 61 11.318 11.629 -5.406 410 HD3 PRO 61 1HD PRO 61 12.571 11.983 -6.614 411 H THR 62 H THR 62 13.232 16.059 -2.706 412 HA THR 62 HA THR 62 11.852 14.918 -0.447 413 HB THR 62 HB THR 62 12.216 17.177 0.558 414 HG1 THR 62 1HG THR 62 12.101 18.415 -1.304 415 HG21 THR 62 3HG2 THR 62 14.596 15.890 -0.810 416 HG22 THR 62 1HG2 THR 62 13.942 15.458 0.770 417 HG23 THR 62 2HG2 THR 62 14.702 17.030 0.530 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -37.962 6.006 4.828 2 H2 GLY 1 2HT GLY 1 -39.191 5.757 5.973 3 H3 GLY 1 3HT GLY 1 -38.339 7.226 5.946 4 HA2 GLY 1 2HA GLY 1 -40.581 7.398 4.962 5 HA3 GLY 1 1HA GLY 1 -39.283 7.829 3.849 6 H SER 2 H SER 2 -38.684 6.364 2.187 7 HA SER 2 HA SER 2 -40.861 4.648 1.296 8 HB2 SER 2 2HB SER 2 -39.627 6.196 -0.252 9 HB3 SER 2 1HB SER 2 -38.198 5.190 -0.039 10 HG SER 2 HG SER 2 -39.222 3.525 -1.024 11 H MET 3 H MET 3 -37.328 4.254 1.726 12 HA MET 3 HA MET 3 -37.628 1.353 1.832 13 HB2 MET 3 2HB MET 3 -35.193 3.145 1.963 14 HB3 MET 3 1HB MET 3 -35.140 1.382 1.980 15 HG2 MET 3 2HG MET 3 -36.520 2.936 -0.217 16 HG3 MET 3 1HG MET 3 -34.816 2.492 -0.302 17 HE1 MET 3 3HE MET 3 -34.942 1.539 -2.216 18 HE2 MET 3 1HE MET 3 -36.512 0.964 -2.792 19 HE3 MET 3 2HE MET 3 -35.210 -0.183 -2.481 20 H ALA 4 H ALA 4 -38.438 0.659 3.743 21 HA ALA 4 HA ALA 4 -36.932 1.355 6.183 22 HB1 ALA 4 1HB ALA 4 -39.943 1.405 5.870 23 HB2 ALA 4 2HB ALA 4 -38.892 2.760 6.286 24 HB3 ALA 4 3HB ALA 4 -39.113 1.431 7.427 25 H GLN 5 H GLN 5 -36.832 -0.982 4.450 26 HA GLN 5 HA GLN 5 -38.180 -3.087 5.977 27 HB2 GLN 5 2HB GLN 5 -38.009 -2.990 3.400 28 HB3 GLN 5 1HB GLN 5 -36.339 -3.508 3.631 29 HG2 GLN 5 2HG GLN 5 -37.052 -5.510 4.785 30 HG3 GLN 5 1HG GLN 5 -38.729 -4.966 4.790 31 HE21 GLN 5 1HE2 GLN 5 -36.174 -6.343 2.778 32 HE22 GLN 5 2HE2 GLN 5 -37.172 -6.683 1.437 33 H GLU 6 H GLU 6 -34.870 -2.346 4.842 34 HA GLU 6 HA GLU 6 -33.678 -4.237 6.662 35 HB2 GLU 6 2HB GLU 6 -31.521 -3.268 5.850 36 HB3 GLU 6 1HB GLU 6 -32.569 -3.824 4.547 37 HG2 GLU 6 2HG GLU 6 -33.175 -1.622 3.936 38 HG3 GLU 6 1HG GLU 6 -32.629 -0.953 5.471 39 H THR 7 H THR 7 -31.722 -3.341 8.011 40 HA THR 7 HA THR 7 -32.857 -1.385 9.868 41 HB THR 7 HB THR 7 -30.942 -2.096 11.322 42 HG1 THR 7 1HG THR 7 -29.411 -3.213 10.460 43 HG21 THR 7 3HG2 THR 7 -31.782 -4.455 11.626 44 HG22 THR 7 1HG2 THR 7 -32.762 -4.225 10.177 45 HG23 THR 7 2HG2 THR 7 -33.048 -3.227 11.603 46 H ASN 8 H ASN 8 -30.846 -0.109 10.995 47 HA ASN 8 HA ASN 8 -29.823 1.607 8.862 48 HB2 ASN 8 2HB ASN 8 -30.966 2.344 11.108 49 HB3 ASN 8 1HB ASN 8 -29.357 2.097 11.784 50 HD21 ASN 8 1HD2 ASN 8 -31.195 4.008 9.405 51 HD22 ASN 8 2HD2 ASN 8 -30.019 5.233 9.239 52 H GLN 9 H GLN 9 -28.610 -0.274 11.635 53 HA GLN 9 HA GLN 9 -25.846 0.145 10.793 54 HB2 GLN 9 2HB GLN 9 -26.594 0.158 13.222 55 HB3 GLN 9 1HB GLN 9 -26.828 -1.584 13.067 56 HG2 GLN 9 2HG GLN 9 -24.501 -1.912 12.502 57 HG3 GLN 9 1HG GLN 9 -24.228 -0.173 12.417 58 HE21 GLN 9 1HE2 GLN 9 -23.289 -2.534 14.317 59 HE22 GLN 9 2HE2 GLN 9 -23.460 -1.833 15.863 60 H THR 10 H THR 10 -25.231 -1.040 9.088 61 HA THR 10 HA THR 10 -25.504 -3.956 9.249 62 HB THR 10 HB THR 10 -26.014 -3.850 6.696 63 HG1 THR 10 1HG THR 10 -26.951 -2.014 6.019 64 HG21 THR 10 3HG2 THR 10 -28.253 -2.995 8.530 65 HG22 THR 10 1HG2 THR 10 -27.528 -4.600 8.634 66 HG23 THR 10 2HG2 THR 10 -28.329 -4.088 7.148 67 HA PRO 11 HA PRO 11 -21.178 -2.732 8.171 68 HB2 PRO 11 2HB PRO 11 -20.143 -5.264 8.714 69 HB3 PRO 11 1HB PRO 11 -20.270 -3.939 9.885 70 HG2 PRO 11 2HG PRO 11 -22.061 -6.276 9.471 71 HG3 PRO 11 1HG PRO 11 -21.543 -5.499 10.979 72 HD2 PRO 11 2HD PRO 11 -24.000 -5.071 9.958 73 HD3 PRO 11 1HD PRO 11 -23.107 -3.777 10.789 74 H GLY 12 H GLY 12 -21.114 -2.537 5.985 75 HA2 GLY 12 2HA GLY 12 -20.560 -4.878 4.382 76 HA3 GLY 12 1HA GLY 12 -22.100 -4.107 4.002 77 HA PRO 13 HA PRO 13 -20.224 -0.947 1.536 78 HB2 PRO 13 2HB PRO 13 -20.944 1.277 3.375 79 HB3 PRO 13 1HB PRO 13 -21.413 1.010 1.684 80 HG2 PRO 13 2HG PRO 13 -23.135 0.681 3.688 81 HG3 PRO 13 1HG PRO 13 -23.163 -0.358 2.249 82 HD2 PRO 13 2HD PRO 13 -22.101 -0.961 4.990 83 HD3 PRO 13 1HD PRO 13 -22.972 -2.023 3.858 84 H MET 14 H MET 14 -18.041 -1.664 1.989 85 HA MET 14 HA MET 14 -16.513 -0.553 4.143 86 HB2 MET 14 2HB MET 14 -15.764 -2.077 1.646 87 HB3 MET 14 1HB MET 14 -14.556 -1.483 2.790 88 HG2 MET 14 2HG MET 14 -16.914 -3.130 3.705 89 HG3 MET 14 1HG MET 14 -15.424 -3.889 3.147 90 HE1 MET 14 3HE MET 14 -13.081 -3.373 4.098 91 HE2 MET 14 1HE MET 14 -13.920 -4.755 4.816 92 HE3 MET 14 2HE MET 14 -12.987 -3.657 5.833 93 H LEU 15 H LEU 15 -16.940 1.687 3.926 94 HA LEU 15 HA LEU 15 -16.161 3.092 1.534 95 HB2 LEU 15 2HB LEU 15 -17.644 3.653 3.955 96 HB3 LEU 15 1HB LEU 15 -16.472 4.934 3.670 97 HG LEU 15 HG LEU 15 -17.336 5.118 1.313 98 HD11 LEU 15 1HD1 LEU 15 -19.174 2.974 2.360 99 HD12 LEU 15 2HD1 LEU 15 -18.349 3.061 0.804 100 HD13 LEU 15 3HD1 LEU 15 -19.744 4.092 1.121 101 HD21 LEU 15 3HD2 LEU 15 -18.158 6.661 2.999 102 HD22 LEU 15 1HD2 LEU 15 -19.314 5.463 3.582 103 HD23 LEU 15 2HD2 LEU 15 -19.511 6.173 1.979 104 H CYS 16 H CYS 16 -14.412 4.438 1.230 105 HA CYS 16 HA CYS 16 -11.919 3.686 2.011 106 HB2 CYS 16 2HB CYS 16 -12.606 5.362 0.220 107 HB3 CYS 16 1HB CYS 16 -12.580 6.581 1.498 108 H SER 17 H SER 17 -10.613 3.846 3.663 109 HA SER 17 HA SER 17 -11.434 4.721 6.217 110 HB2 SER 17 2HB SER 17 -8.603 4.288 5.252 111 HB3 SER 17 1HB SER 17 -9.152 4.279 6.926 112 HG SER 17 HG SER 17 -8.931 2.187 5.784 113 H THR 18 H THR 18 -9.867 6.478 3.619 114 HA THR 18 HA THR 18 -8.872 8.586 5.331 115 HB THR 18 HB THR 18 -8.143 9.674 3.314 116 HG1 THR 18 1HG THR 18 -9.663 9.486 1.843 117 HG21 THR 18 3HG2 THR 18 -6.698 7.980 2.406 118 HG22 THR 18 1HG2 THR 18 -7.805 6.696 2.894 119 HG23 THR 18 2HG2 THR 18 -6.923 7.610 4.117 120 H GLY 19 H GLY 19 -11.981 7.925 4.072 121 HA2 GLY 19 2HA GLY 19 -13.913 9.153 4.334 122 HA3 GLY 19 1HA GLY 19 -12.948 10.467 5.002 123 H CYS 20 H CYS 20 -12.137 9.134 1.852 124 HA CYS 20 HA CYS 20 -12.410 11.687 0.613 125 HB2 CYS 20 2HB CYS 20 -11.833 10.527 -1.481 126 HB3 CYS 20 1HB CYS 20 -10.748 10.066 -0.170 127 H GLY 21 H GLY 21 -14.736 9.235 1.285 128 HA2 GLY 21 2HA GLY 21 -17.047 9.463 1.028 129 HA3 GLY 21 1HA GLY 21 -16.776 10.734 -0.159 130 H PHE 22 H PHE 22 -14.866 8.014 -0.856 131 HA PHE 22 HA PHE 22 -16.762 7.149 -2.932 132 HB2 PHE 22 2HB PHE 22 -13.745 7.068 -2.734 133 HB3 PHE 22 1HB PHE 22 -14.634 6.170 -3.960 134 HD1 PHE 22 2HD PHE 22 -14.013 9.589 -2.622 135 HD2 PHE 22 1HD PHE 22 -15.507 7.241 -5.894 136 HE1 PHE 22 2HE PHE 22 -14.149 11.631 -4.024 137 HE2 PHE 22 1HE PHE 22 -15.643 9.283 -7.296 138 HZ PHE 22 HZ PHE 22 -14.965 11.476 -6.361 139 H TYR 23 H TYR 23 -15.889 4.712 -3.590 140 HA TYR 23 HA TYR 23 -16.534 3.105 -1.222 141 HB2 TYR 23 2HB TYR 23 -17.656 2.874 -3.559 142 HB3 TYR 23 1HB TYR 23 -16.181 1.999 -3.996 143 HD1 TYR 23 1HD TYR 23 -18.937 2.111 -1.478 144 HD2 TYR 23 2HD TYR 23 -15.872 -0.255 -3.339 145 HE1 TYR 23 1HE TYR 23 -19.791 0.098 -0.315 146 HE2 TYR 23 2HE TYR 23 -16.733 -2.277 -2.184 147 HH TYR 23 HH TYR 23 -18.132 -2.626 0.106 148 H GLY 24 H GLY 24 -15.209 1.538 -0.369 149 HA2 GLY 24 2HA GLY 24 -12.421 1.477 -1.394 150 HA3 GLY 24 1HA GLY 24 -12.863 1.276 0.302 151 H ASN 25 H ASN 25 -11.262 -0.626 -0.815 152 HA ASN 25 HA ASN 25 -13.064 -2.924 -1.328 153 HB2 ASN 25 2HB ASN 25 -11.163 -2.079 -3.008 154 HB3 ASN 25 1HB ASN 25 -10.154 -3.067 -1.966 155 HD21 ASN 25 1HD2 ASN 25 -9.817 -4.853 -3.371 156 HD22 ASN 25 2HD2 ASN 25 -11.089 -5.835 -3.945 157 HA PRO 26 HA PRO 26 -11.456 -4.467 2.575 158 HB2 PRO 26 2HB PRO 26 -12.445 -6.972 2.551 159 HB3 PRO 26 1HB PRO 26 -13.498 -5.548 2.720 160 HG2 PRO 26 2HG PRO 26 -12.902 -7.175 0.284 161 HG3 PRO 26 1HG PRO 26 -14.465 -6.585 0.884 162 HD2 PRO 26 2HD PRO 26 -13.062 -5.320 -1.099 163 HD3 PRO 26 1HD PRO 26 -14.146 -4.461 0.022 164 H ARG 27 H ARG 27 -10.792 -6.077 -0.490 165 HA ARG 27 HA ARG 27 -8.805 -7.876 0.543 166 HB2 ARG 27 2HB ARG 27 -9.335 -6.937 -2.289 167 HB3 ARG 27 1HB ARG 27 -8.267 -8.267 -1.832 168 HG2 ARG 27 2HG ARG 27 -10.125 -9.503 -0.866 169 HG3 ARG 27 1HG ARG 27 -11.216 -8.145 -1.141 170 HD2 ARG 27 2HD ARG 27 -11.448 -8.607 -3.366 171 HD3 ARG 27 1HD ARG 27 -9.774 -9.128 -3.544 172 HE ARG 27 HE ARG 27 -12.049 -10.806 -2.929 173 HH11 ARG 27 1HH2 ARG 27 -8.563 -10.508 -2.585 174 HH12 ARG 27 2HH2 ARG 27 -8.312 -12.219 -2.589 175 HH21 ARG 27 1HH1 ARG 27 -11.656 -13.028 -2.925 176 HH22 ARG 27 2HH1 ARG 27 -10.038 -13.628 -2.764 177 H THR 28 H THR 28 -8.876 -4.584 -0.623 178 HA THR 28 HA THR 28 -5.957 -4.385 -0.749 179 HB THR 28 HB THR 28 -6.369 -2.054 -1.432 180 HG1 THR 28 1HG THR 28 -8.168 -1.663 -0.124 181 HG21 THR 28 3HG2 THR 28 -6.931 -2.653 -3.543 182 HG22 THR 28 1HG2 THR 28 -8.479 -3.328 -3.040 183 HG23 THR 28 2HG2 THR 28 -7.010 -4.294 -2.909 184 H ASN 29 H ASN 29 -6.045 -1.589 0.476 185 HA ASN 29 HA ASN 29 -5.908 -2.480 3.259 186 HB2 ASN 29 2HB ASN 29 -4.339 -0.729 1.718 187 HB3 ASN 29 1HB ASN 29 -5.178 0.312 2.864 188 HD21 ASN 29 1HD2 ASN 29 -3.962 -3.066 3.262 189 HD22 ASN 29 2HD2 ASN 29 -2.965 -2.701 4.597 190 H GLY 30 H GLY 30 -8.551 -2.036 1.932 191 HA2 GLY 30 2HA GLY 30 -10.603 -1.292 2.671 192 HA3 GLY 30 1HA GLY 30 -9.790 -0.566 4.055 193 H MET 31 H MET 31 -8.504 0.355 0.978 194 HA MET 31 HA MET 31 -9.955 2.929 1.125 195 HB2 MET 31 2HB MET 31 -7.114 2.371 0.222 196 HB3 MET 31 1HB MET 31 -7.913 3.942 0.148 197 HG2 MET 31 2HG MET 31 -8.167 3.997 2.557 198 HG3 MET 31 1HG MET 31 -7.560 2.349 2.702 199 HE1 MET 31 3HE MET 31 -6.178 2.589 4.212 200 HE2 MET 31 1HE MET 31 -5.287 4.073 4.580 201 HE3 MET 31 2HE MET 31 -4.464 2.707 3.836 202 H CYS 32 H CYS 32 -10.107 4.047 -0.994 203 HA CYS 32 HA CYS 32 -11.150 2.266 -2.964 204 HB2 CYS 32 2HB CYS 32 -11.776 4.314 -4.163 205 HB3 CYS 32 1HB CYS 32 -12.197 4.447 -2.457 206 H SER 33 H SER 33 -10.374 3.525 -5.379 207 HA SER 33 HA SER 33 -7.915 2.147 -5.853 208 HB2 SER 33 2HB SER 33 -10.013 2.791 -7.415 209 HB3 SER 33 1HB SER 33 -8.883 4.051 -7.903 210 HG SER 33 HG SER 33 -7.434 2.510 -8.506 211 H VAL 34 H VAL 34 -8.736 5.598 -5.700 212 HA VAL 34 HA VAL 34 -6.127 6.488 -6.489 213 HB VAL 34 HB VAL 34 -8.169 8.116 -4.955 214 HG11 VAL 34 1HG1 VAL 34 -7.136 9.970 -6.245 215 HG12 VAL 34 2HG1 VAL 34 -5.999 8.824 -6.955 216 HG13 VAL 34 3HG1 VAL 34 -5.958 9.149 -5.222 217 HG21 VAL 34 3HG2 VAL 34 -9.457 7.342 -6.762 218 HG22 VAL 34 1HG2 VAL 34 -8.070 7.276 -7.847 219 HG23 VAL 34 2HG2 VAL 34 -8.771 8.835 -7.405 220 H CYS 35 H CYS 35 -7.775 6.373 -3.353 221 HA CYS 35 HA CYS 35 -5.611 7.333 -1.815 222 HB2 CYS 35 2HB CYS 35 -7.958 5.607 -1.001 223 HB3 CYS 35 1HB CYS 35 -6.852 6.398 0.122 224 H TYR 36 H TYR 36 -6.535 4.046 -2.799 225 HA TYR 36 HA TYR 36 -4.752 2.694 -1.060 226 HB2 TYR 36 2HB TYR 36 -6.641 1.556 -2.148 227 HB3 TYR 36 1HB TYR 36 -5.852 1.737 -3.720 228 HD1 TYR 36 1HD TYR 36 -4.628 0.713 -0.299 229 HD2 TYR 36 2HD TYR 36 -5.028 -0.321 -4.452 230 HE1 TYR 36 1HE TYR 36 -3.347 -1.370 0.095 231 HE2 TYR 36 2HE TYR 36 -3.748 -2.409 -4.053 232 HH TYR 36 HH TYR 36 -3.041 -3.575 -0.903 233 H LYS 37 H LYS 37 -4.266 4.017 -4.342 234 HA LYS 37 HA LYS 37 -1.681 2.784 -4.594 235 HB2 LYS 37 2HB LYS 37 -1.403 4.287 -6.573 236 HB3 LYS 37 1HB LYS 37 -2.846 3.286 -6.645 237 HG2 LYS 37 2HG LYS 37 -4.203 5.198 -5.857 238 HG3 LYS 37 1HG LYS 37 -2.756 6.206 -5.813 239 HD2 LYS 37 2HD LYS 37 -3.571 4.742 -8.322 240 HD3 LYS 37 1HD LYS 37 -4.270 6.310 -7.926 241 HE2 LYS 37 2HE LYS 37 -2.465 7.235 -8.918 242 HE3 LYS 37 1HE LYS 37 -1.513 6.675 -7.545 243 HZ1 LYS 37 3HZ LYS 37 -1.273 4.525 -8.748 244 HZ2 LYS 37 1HZ LYS 37 -0.515 5.835 -9.514 245 HZ3 LYS 37 2HZ LYS 37 -1.997 5.247 -10.103 246 H GLU 38 H GLU 38 -2.864 6.039 -3.774 247 HA GLU 38 HA GLU 38 -0.314 7.234 -3.443 248 HB2 GLU 38 2HB GLU 38 -3.002 7.908 -2.230 249 HB3 GLU 38 1HB GLU 38 -1.570 8.930 -2.086 250 HG2 GLU 38 2HG GLU 38 -1.465 8.805 -4.669 251 HG3 GLU 38 1HG GLU 38 -3.127 8.218 -4.571 252 H HIS 39 H HIS 39 -2.511 5.637 -1.122 253 HA HIS 39 HA HIS 39 -1.097 6.185 1.229 254 HB2 HIS 39 2HB HIS 39 -3.421 5.218 1.031 255 HB3 HIS 39 1HB HIS 39 -2.670 3.659 0.682 256 HD1 HIS 39 1HD HIS 39 -2.741 6.319 3.395 257 HD2 HIS 39 2HD HIS 39 -1.855 2.271 2.940 258 HE1 HIS 39 1HE HIS 39 -2.296 5.421 5.720 259 HE2 HIS 39 2HE HIS 39 -1.723 2.960 5.458 260 H LEU 40 H LEU 40 -0.859 3.297 -0.871 261 HA LEU 40 HA LEU 40 1.059 1.932 0.658 262 HB2 LEU 40 2HB LEU 40 -0.305 1.503 -1.767 263 HB3 LEU 40 1HB LEU 40 1.405 1.416 -2.190 264 HG LEU 40 HG LEU 40 1.703 -0.176 -0.236 265 HD11 LEU 40 1HD1 LEU 40 -0.280 -1.222 0.710 266 HD12 LEU 40 2HD1 LEU 40 -1.325 -0.272 -0.346 267 HD13 LEU 40 3HD1 LEU 40 -0.408 0.524 0.931 268 HD21 LEU 40 3HD2 LEU 40 1.523 -0.987 -2.553 269 HD22 LEU 40 1HD2 LEU 40 -0.238 -0.981 -2.427 270 HD23 LEU 40 2HD2 LEU 40 0.714 -2.098 -1.449 271 H GLN 41 H GLN 41 1.457 4.618 -1.540 272 HA GLN 41 HA GLN 41 4.199 4.297 -2.150 273 HB2 GLN 41 2HB GLN 41 2.521 5.876 -3.251 274 HB3 GLN 41 1HB GLN 41 2.813 6.960 -1.890 275 HG2 GLN 41 2HG GLN 41 5.240 6.914 -2.394 276 HG3 GLN 41 1HG GLN 41 4.915 5.879 -3.787 277 HE21 GLN 41 1HE2 GLN 41 3.814 6.840 -5.645 278 HE22 GLN 41 2HE2 GLN 41 3.687 8.533 -5.812 279 H ARG 42 H ARG 42 2.559 5.929 0.544 280 HA ARG 42 HA ARG 42 4.981 7.010 1.659 281 HB2 ARG 42 2HB ARG 42 2.310 6.584 3.021 282 HB3 ARG 42 1HB ARG 42 3.615 7.636 3.567 283 HG2 ARG 42 2HG ARG 42 3.208 8.534 0.984 284 HG3 ARG 42 1HG ARG 42 1.575 8.091 1.477 285 HD2 ARG 42 2HD ARG 42 1.698 9.537 3.414 286 HD3 ARG 42 1HD ARG 42 3.406 9.853 3.127 287 HE ARG 42 HE ARG 42 1.200 11.164 1.856 288 HH11 ARG 42 1HH2 ARG 42 4.511 10.094 1.323 289 HH12 ARG 42 2HH2 ARG 42 4.784 11.240 0.057 290 HH21 ARG 42 1HH1 ARG 42 1.625 12.629 0.197 291 HH22 ARG 42 2HH1 ARG 42 3.175 12.654 -0.574 292 H GLN 43 H GLN 43 3.168 4.029 2.040 293 HA GLN 43 HA GLN 43 4.414 3.171 4.472 294 HB2 GLN 43 2HB GLN 43 2.208 2.356 3.342 295 HB3 GLN 43 1HB GLN 43 3.273 1.283 2.431 296 HG2 GLN 43 2HG GLN 43 2.702 -0.010 4.306 297 HG3 GLN 43 1HG GLN 43 4.263 0.673 4.762 298 HE21 GLN 43 1HE2 GLN 43 0.732 1.150 5.183 299 HE22 GLN 43 2HE2 GLN 43 0.865 1.986 6.653 300 H GLN 44 H GLN 44 5.069 2.677 1.030 301 HA GLN 44 HA GLN 44 7.191 0.788 1.424 302 HB2 GLN 44 2HB GLN 44 5.814 1.165 -0.710 303 HB3 GLN 44 1HB GLN 44 6.872 2.546 -1.004 304 HG2 GLN 44 2HG GLN 44 8.801 1.186 -1.154 305 HG3 GLN 44 1HG GLN 44 7.996 -0.185 -0.392 306 HE21 GLN 44 1HE2 GLN 44 5.944 -0.952 -1.736 307 HE22 GLN 44 2HE2 GLN 44 6.168 -1.024 -3.426 308 H ASN 45 H ASN 45 7.016 4.294 1.020 309 HA ASN 45 HA ASN 45 9.885 4.631 0.957 310 HB2 ASN 45 2HB ASN 45 7.515 6.466 0.958 311 HB3 ASN 45 1HB ASN 45 9.123 7.112 1.284 312 HD21 ASN 45 1HD2 ASN 45 7.164 7.163 -1.188 313 HD22 ASN 45 2HD2 ASN 45 8.202 6.786 -2.487 314 H SER 46 H SER 46 7.759 3.964 3.496 315 HA SER 46 HA SER 46 8.573 5.703 5.545 316 HB2 SER 46 2HB SER 46 6.664 4.218 5.817 317 HB3 SER 46 1HB SER 46 7.707 2.806 5.704 318 HG SER 46 HG SER 46 7.731 4.832 7.693 319 H GLY 47 H GLY 47 9.817 2.432 4.769 320 HA2 GLY 47 2HA GLY 47 12.384 2.443 4.725 321 HA3 GLY 47 1HA GLY 47 12.227 3.025 6.380 322 H ARG 48 H ARG 48 11.080 0.361 4.288 323 HA ARG 48 HA ARG 48 11.141 -1.439 6.633 324 HB2 ARG 48 2HB ARG 48 9.546 -1.388 4.091 325 HB3 ARG 48 1HB ARG 48 9.831 -2.929 4.900 326 HG2 ARG 48 2HG ARG 48 8.973 -1.868 7.030 327 HG3 ARG 48 1HG ARG 48 8.498 -0.470 6.065 328 HD2 ARG 48 2HD ARG 48 6.803 -1.614 4.990 329 HD3 ARG 48 1HD ARG 48 7.611 -3.172 5.134 330 HE ARG 48 HE ARG 48 6.555 -3.474 7.170 331 HH11 ARG 48 1HH2 ARG 48 6.370 -0.066 6.318 332 HH12 ARG 48 2HH2 ARG 48 5.298 0.305 7.624 333 HH21 ARG 48 1HH1 ARG 48 5.164 -2.926 8.845 334 HH22 ARG 48 2HH1 ARG 48 4.623 -1.292 9.037 335 H MET 49 H MET 49 13.565 -0.667 5.323 336 HA MET 49 HA MET 49 14.346 -3.163 3.930 337 HB2 MET 49 2HB MET 49 14.585 -0.897 2.750 338 HB3 MET 49 1HB MET 49 15.892 -0.578 3.890 339 HG2 MET 49 2HG MET 49 16.980 -1.535 2.018 340 HG3 MET 49 1HG MET 49 16.836 -2.867 3.165 341 HE1 MET 49 3HE MET 49 17.471 -4.206 1.111 342 HE2 MET 49 1HE MET 49 17.198 -3.044 -0.195 343 HE3 MET 49 2HE MET 49 16.409 -4.619 -0.233 344 H SER 50 H SER 50 15.720 -0.666 6.099 345 HA SER 50 HA SER 50 17.623 -2.622 7.160 346 HB2 SER 50 2HB SER 50 17.325 0.359 7.342 347 HB3 SER 50 1HB SER 50 18.330 -0.500 8.504 348 HG SER 50 HG SER 50 19.646 -0.009 6.816 349 HA PRO 51 HA PRO 51 15.583 -3.545 10.971 350 HB2 PRO 51 2HB PRO 51 17.838 -2.447 12.574 351 HB3 PRO 51 1HB PRO 51 17.149 -4.081 12.560 352 HG2 PRO 51 2HG PRO 51 19.511 -3.550 11.452 353 HG3 PRO 51 1HG PRO 51 18.397 -4.738 10.752 354 HD2 PRO 51 2HD PRO 51 19.000 -1.950 9.834 355 HD3 PRO 51 1HD PRO 51 18.649 -3.404 8.872 356 H MET 52 H MET 52 17.443 -0.583 11.763 357 HA MET 52 HA MET 52 15.183 0.519 13.213 358 HB2 MET 52 2HB MET 52 17.678 0.746 13.835 359 HB3 MET 52 1HB MET 52 17.736 1.984 12.581 360 HG2 MET 52 2HG MET 52 15.918 3.215 13.692 361 HG3 MET 52 1HG MET 52 15.827 1.970 14.937 362 HE1 MET 52 3HE MET 52 16.594 5.376 15.033 363 HE2 MET 52 1HE MET 52 17.337 5.160 16.624 364 HE3 MET 52 2HE MET 52 15.869 4.281 16.206 365 H GLY 53 H GLY 53 17.250 1.802 10.581 366 HA2 GLY 53 2HA GLY 53 15.784 2.380 8.522 367 HA3 GLY 53 1HA GLY 53 14.979 3.447 9.668 368 H THR 54 H THR 54 16.565 4.905 10.932 369 HA THR 54 HA THR 54 18.384 6.144 8.967 370 HB THR 54 HB THR 54 18.264 8.069 10.689 371 HG1 THR 54 1HG THR 54 16.472 7.976 12.026 372 HG21 THR 54 3HG2 THR 54 15.813 7.183 9.143 373 HG22 THR 54 1HG2 THR 54 17.151 8.143 8.512 374 HG23 THR 54 2HG2 THR 54 16.090 8.817 9.749 375 H ALA 55 H ALA 55 20.502 6.699 9.507 376 HA ALA 55 HA ALA 55 21.730 5.002 11.525 377 HB1 ALA 55 1HB ALA 55 22.907 6.913 9.494 378 HB2 ALA 55 2HB ALA 55 22.818 5.157 9.362 379 HB3 ALA 55 3HB ALA 55 23.857 5.898 10.578 380 H SER 56 H SER 56 21.427 8.479 10.822 381 HA SER 56 HA SER 56 22.606 9.133 13.433 382 HB2 SER 56 2HB SER 56 23.166 10.305 11.165 383 HB3 SER 56 1HB SER 56 21.652 11.164 11.438 384 HG SER 56 HG SER 56 24.067 11.478 12.625 385 H GLY 57 H GLY 57 19.616 9.538 11.563 386 HA2 GLY 57 2HA GLY 57 17.440 9.855 12.256 387 HA3 GLY 57 1HA GLY 57 17.977 9.530 13.901 388 H SER 58 H SER 58 18.001 12.061 11.393 389 HA SER 58 HA SER 58 18.156 14.120 13.505 390 HB2 SER 58 2HB SER 58 18.488 14.483 10.522 391 HB3 SER 58 1HB SER 58 18.890 15.636 11.790 392 HG SER 58 HG SER 58 20.620 14.209 10.844 393 H ASN 59 H ASN 59 15.708 12.647 13.012 394 HA ASN 59 HA ASN 59 13.978 14.714 11.794 395 HB2 ASN 59 2HB ASN 59 12.255 12.903 11.722 396 HB3 ASN 59 1HB ASN 59 13.680 12.557 10.747 397 HD21 ASN 59 1HD2 ASN 59 15.179 10.893 11.542 398 HD22 ASN 59 2HD2 ASN 59 14.698 9.788 12.738 399 H SER 60 H SER 60 12.265 15.581 12.925 400 HA SER 60 HA SER 60 11.537 14.635 15.552 401 HB2 SER 60 2HB SER 60 12.099 16.875 16.622 402 HB3 SER 60 1HB SER 60 13.468 15.819 16.281 403 HG SER 60 HG SER 60 13.947 17.039 14.497 404 HA PRO 61 HA PRO 61 7.654 16.523 14.597 405 HB2 PRO 61 2HB PRO 61 7.654 17.912 17.234 406 HB3 PRO 61 1HB PRO 61 6.463 16.796 16.544 407 HG2 PRO 61 2HG PRO 61 8.115 16.042 18.488 408 HG3 PRO 61 1HG PRO 61 7.630 14.933 17.194 409 HD2 PRO 61 2HD PRO 61 10.233 16.360 17.574 410 HD3 PRO 61 1HD PRO 61 9.917 14.748 16.897 411 H THR 62 H THR 62 6.449 18.755 14.695 412 HA THR 62 HA THR 62 8.285 21.036 14.556 413 HB THR 62 HB THR 62 8.306 20.234 12.270 414 HG1 THR 62 1HG THR 62 8.057 22.203 11.636 415 HG21 THR 62 3HG2 THR 62 6.239 18.885 12.342 416 HG22 THR 62 1HG2 THR 62 6.219 19.997 10.972 417 HG23 THR 62 2HG2 THR 62 5.278 20.362 12.418 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -42.902 -4.980 12.754 2 H2 GLY 1 2HT GLY 1 -42.088 -5.873 11.559 3 H3 GLY 1 3HT GLY 1 -42.013 -4.177 11.553 4 HA2 GLY 1 2HA GLY 1 -40.943 -5.874 13.740 5 HA3 GLY 1 1HA GLY 1 -39.967 -5.252 12.409 6 H SER 2 H SER 2 -40.624 -4.688 15.524 7 HA SER 2 HA SER 2 -40.985 -1.806 15.443 8 HB2 SER 2 2HB SER 2 -41.915 -3.374 17.242 9 HB3 SER 2 1HB SER 2 -40.270 -3.459 17.862 10 HG SER 2 HG SER 2 -40.446 -1.480 18.576 11 H MET 3 H MET 3 -39.398 -0.343 15.390 12 HA MET 3 HA MET 3 -36.632 -1.213 15.366 13 HB2 MET 3 2HB MET 3 -37.734 0.589 13.866 14 HB3 MET 3 1HB MET 3 -37.552 1.648 15.263 15 HG2 MET 3 2HG MET 3 -35.554 1.997 14.069 16 HG3 MET 3 1HG MET 3 -35.088 0.817 15.295 17 HE1 MET 3 3HE MET 3 -36.126 1.703 11.945 18 HE2 MET 3 1HE MET 3 -37.066 0.233 11.660 19 HE3 MET 3 2HE MET 3 -35.530 0.475 10.831 20 H ALA 4 H ALA 4 -35.993 -1.785 17.416 21 HA ALA 4 HA ALA 4 -35.870 0.401 19.396 22 HB1 ALA 4 1HB ALA 4 -36.375 -1.224 21.194 23 HB2 ALA 4 2HB ALA 4 -36.681 -2.460 19.973 24 HB3 ALA 4 3HB ALA 4 -37.726 -1.043 20.075 25 H GLN 5 H GLN 5 -34.854 -3.015 19.036 26 HA GLN 5 HA GLN 5 -32.172 -2.271 20.005 27 HB2 GLN 5 2HB GLN 5 -33.696 -4.865 19.861 28 HB3 GLN 5 1HB GLN 5 -31.946 -4.849 20.077 29 HG2 GLN 5 2HG GLN 5 -32.193 -3.426 22.069 30 HG3 GLN 5 1HG GLN 5 -33.943 -3.416 21.852 31 HE21 GLN 5 1HE2 GLN 5 -31.227 -5.309 23.010 32 HE22 GLN 5 2HE2 GLN 5 -32.149 -6.628 23.578 33 H GLU 6 H GLU 6 -33.001 -1.580 17.312 34 HA GLU 6 HA GLU 6 -31.409 -3.426 15.650 35 HB2 GLU 6 2HB GLU 6 -33.853 -2.587 15.097 36 HB3 GLU 6 1HB GLU 6 -33.004 -1.157 14.513 37 HG2 GLU 6 2HG GLU 6 -32.044 -3.878 13.679 38 HG3 GLU 6 1HG GLU 6 -33.450 -3.177 12.879 39 H THR 7 H THR 7 -29.416 -2.860 15.071 40 HA THR 7 HA THR 7 -28.273 -0.353 15.848 41 HB THR 7 HB THR 7 -26.286 -1.240 14.506 42 HG1 THR 7 1HG THR 7 -26.557 -3.018 13.428 43 HG21 THR 7 3HG2 THR 7 -26.402 -1.548 16.904 44 HG22 THR 7 1HG2 THR 7 -25.871 -3.067 16.180 45 HG23 THR 7 2HG2 THR 7 -27.541 -2.882 16.720 46 H ASN 8 H ASN 8 -27.252 1.195 14.432 47 HA ASN 8 HA ASN 8 -28.770 1.593 11.933 48 HB2 ASN 8 2HB ASN 8 -28.673 3.335 13.858 49 HB3 ASN 8 1HB ASN 8 -27.047 3.673 13.260 50 HD21 ASN 8 1HD2 ASN 8 -26.929 5.180 11.594 51 HD22 ASN 8 2HD2 ASN 8 -28.236 5.624 10.591 52 H GLN 9 H GLN 9 -26.465 -0.243 12.149 53 HA GLN 9 HA GLN 9 -24.793 0.975 10.054 54 HB2 GLN 9 2HB GLN 9 -23.739 -0.466 12.501 55 HB3 GLN 9 1HB GLN 9 -22.764 0.032 11.118 56 HG2 GLN 9 2HG GLN 9 -23.456 2.388 11.513 57 HG3 GLN 9 1HG GLN 9 -24.348 1.866 12.941 58 HE21 GLN 9 1HE2 GLN 9 -21.050 2.065 11.565 59 HE22 GLN 9 2HE2 GLN 9 -20.253 2.017 13.073 60 H THR 10 H THR 10 -25.020 -0.293 8.326 61 HA THR 10 HA THR 10 -25.386 -3.199 8.706 62 HB THR 10 HB THR 10 -26.246 -3.159 6.367 63 HG1 THR 10 1HG THR 10 -25.739 -1.457 5.277 64 HG21 THR 10 3HG2 THR 10 -27.881 -3.035 8.111 65 HG22 THR 10 1HG2 THR 10 -28.326 -1.807 6.927 66 HG23 THR 10 2HG2 THR 10 -27.514 -1.337 8.422 67 HA PRO 11 HA PRO 11 -21.264 -3.527 6.941 68 HB2 PRO 11 2HB PRO 11 -21.011 -6.207 6.851 69 HB3 PRO 11 1HB PRO 11 -21.051 -5.330 8.393 70 HG2 PRO 11 2HG PRO 11 -23.203 -6.883 7.044 71 HG3 PRO 11 1HG PRO 11 -22.786 -6.792 8.763 72 HD2 PRO 11 2HD PRO 11 -24.853 -5.366 7.571 73 HD3 PRO 11 1HD PRO 11 -24.066 -4.919 9.099 74 H GLY 12 H GLY 12 -20.754 -3.160 4.834 75 HA2 GLY 12 2HA GLY 12 -20.908 -4.911 2.734 76 HA3 GLY 12 1HA GLY 12 -22.450 -4.058 2.684 77 HA PRO 13 HA PRO 13 -20.465 -0.592 0.769 78 HB2 PRO 13 2HB PRO 13 -21.173 1.661 2.099 79 HB3 PRO 13 1HB PRO 13 -22.353 0.667 1.218 80 HG2 PRO 13 2HG PRO 13 -21.812 0.826 4.136 81 HG3 PRO 13 1HG PRO 13 -23.352 0.631 3.277 82 HD2 PRO 13 2HD PRO 13 -21.936 -1.446 4.476 83 HD3 PRO 13 1HD PRO 13 -23.156 -1.654 3.199 84 H MET 14 H MET 14 -18.275 -1.353 1.310 85 HA MET 14 HA MET 14 -16.856 -0.273 3.550 86 HB2 MET 14 2HB MET 14 -16.093 -1.835 1.106 87 HB3 MET 14 1HB MET 14 -14.837 -1.089 2.095 88 HG2 MET 14 2HG MET 14 -17.006 -2.820 3.295 89 HG3 MET 14 1HG MET 14 -15.483 -3.492 2.712 90 HE1 MET 14 3HE MET 14 -15.462 -3.404 6.665 91 HE2 MET 14 1HE MET 14 -14.994 -4.431 5.303 92 HE3 MET 14 2HE MET 14 -16.647 -3.840 5.435 93 H LEU 15 H LEU 15 -17.323 1.991 3.336 94 HA LEU 15 HA LEU 15 -16.337 3.474 1.069 95 HB2 LEU 15 2HB LEU 15 -17.960 3.990 3.401 96 HB3 LEU 15 1HB LEU 15 -16.684 5.198 3.328 97 HG LEU 15 HG LEU 15 -17.313 5.688 0.966 98 HD11 LEU 15 1HD1 LEU 15 -18.275 3.605 0.248 99 HD12 LEU 15 2HD1 LEU 15 -19.577 4.794 0.220 100 HD13 LEU 15 3HD1 LEU 15 -19.468 3.637 1.546 101 HD21 LEU 15 3HD2 LEU 15 -19.323 6.926 1.496 102 HD22 LEU 15 1HD2 LEU 15 -18.316 6.905 2.945 103 HD23 LEU 15 2HD2 LEU 15 -19.708 5.828 2.821 104 H CYS 16 H CYS 16 -14.449 4.684 0.927 105 HA CYS 16 HA CYS 16 -12.070 3.782 1.808 106 HB2 CYS 16 2HB CYS 16 -12.585 5.710 0.202 107 HB3 CYS 16 1HB CYS 16 -12.534 6.748 1.630 108 H SER 17 H SER 17 -10.856 3.699 3.599 109 HA SER 17 HA SER 17 -11.898 4.450 6.130 110 HB2 SER 17 2HB SER 17 -9.151 3.558 5.254 111 HB3 SER 17 1HB SER 17 -9.556 3.895 6.936 112 HG SER 17 HG SER 17 -9.997 1.682 5.581 113 H THR 18 H THR 18 -9.895 6.147 3.809 114 HA THR 18 HA THR 18 -8.959 8.116 5.699 115 HB THR 18 HB THR 18 -8.005 9.246 3.772 116 HG1 THR 18 1HG THR 18 -8.812 8.977 1.868 117 HG21 THR 18 3HG2 THR 18 -6.573 7.435 2.922 118 HG22 THR 18 1HG2 THR 18 -7.716 6.232 3.523 119 HG23 THR 18 2HG2 THR 18 -6.825 7.249 4.657 120 H GLY 19 H GLY 19 -11.937 7.634 4.052 121 HA2 GLY 19 2HA GLY 19 -13.874 8.866 4.200 122 HA3 GLY 19 1HA GLY 19 -12.981 10.100 5.084 123 H CYS 20 H CYS 20 -12.221 8.905 1.820 124 HA CYS 20 HA CYS 20 -12.220 11.622 0.831 125 HB2 CYS 20 2HB CYS 20 -11.510 10.649 -1.309 126 HB3 CYS 20 1HB CYS 20 -10.538 10.032 0.026 127 H GLY 21 H GLY 21 -14.717 9.373 1.265 128 HA2 GLY 21 2HA GLY 21 -16.967 9.698 0.785 129 HA3 GLY 21 1HA GLY 21 -16.521 10.980 -0.337 130 H PHE 22 H PHE 22 -14.666 8.229 -1.029 131 HA PHE 22 HA PHE 22 -16.519 7.450 -3.188 132 HB2 PHE 22 2HB PHE 22 -13.504 7.395 -2.991 133 HB3 PHE 22 1HB PHE 22 -14.398 6.569 -4.271 134 HD1 PHE 22 2HD PHE 22 -13.542 9.859 -2.815 135 HD2 PHE 22 1HD PHE 22 -15.540 7.806 -6.017 136 HE1 PHE 22 2HE PHE 22 -13.742 11.994 -4.060 137 HE2 PHE 22 1HE PHE 22 -15.736 9.941 -7.263 138 HZ PHE 22 HZ PHE 22 -14.840 12.038 -6.285 139 H TYR 23 H TYR 23 -16.103 5.119 -3.919 140 HA TYR 23 HA TYR 23 -16.588 3.424 -1.642 141 HB2 TYR 23 2HB TYR 23 -17.625 3.318 -4.049 142 HB3 TYR 23 1HB TYR 23 -16.189 2.359 -4.421 143 HD1 TYR 23 1HD TYR 23 -18.935 2.630 -1.874 144 HD2 TYR 23 2HD TYR 23 -16.187 0.064 -3.952 145 HE1 TYR 23 1HE TYR 23 -19.975 0.649 -0.800 146 HE2 TYR 23 2HE TYR 23 -17.225 -1.916 -2.882 147 HH TYR 23 HH TYR 23 -18.575 -2.287 -0.624 148 H GLY 24 H GLY 24 -15.376 1.699 -0.906 149 HA2 GLY 24 2HA GLY 24 -12.540 1.602 -1.791 150 HA3 GLY 24 1HA GLY 24 -13.043 1.405 -0.109 151 H ASN 25 H ASN 25 -11.494 -0.570 -1.200 152 HA ASN 25 HA ASN 25 -13.400 -2.748 -1.841 153 HB2 ASN 25 2HB ASN 25 -11.300 -2.017 -3.350 154 HB3 ASN 25 1HB ASN 25 -10.467 -3.115 -2.256 155 HD21 ASN 25 1HD2 ASN 25 -10.409 -5.204 -3.061 156 HD22 ASN 25 2HD2 ASN 25 -11.628 -5.924 -4.011 157 HA PRO 26 HA PRO 26 -12.241 -4.469 2.114 158 HB2 PRO 26 2HB PRO 26 -13.237 -6.966 1.900 159 HB3 PRO 26 1HB PRO 26 -14.269 -5.530 2.045 160 HG2 PRO 26 2HG PRO 26 -13.559 -7.101 -0.388 161 HG3 PRO 26 1HG PRO 26 -15.119 -6.416 0.093 162 HD2 PRO 26 2HD PRO 26 -13.428 -5.225 -1.727 163 HD3 PRO 26 1HD PRO 26 -14.612 -4.332 -0.747 164 H ARG 27 H ARG 27 -11.298 -6.099 -0.878 165 HA ARG 27 HA ARG 27 -9.384 -7.867 0.339 166 HB2 ARG 27 2HB ARG 27 -9.457 -6.902 -2.533 167 HB3 ARG 27 1HB ARG 27 -8.621 -8.322 -1.915 168 HG2 ARG 27 2HG ARG 27 -10.769 -9.344 -1.292 169 HG3 ARG 27 1HG ARG 27 -11.628 -7.912 -1.863 170 HD2 ARG 27 2HD ARG 27 -10.915 -8.296 -4.131 171 HD3 ARG 27 1HD ARG 27 -9.803 -9.562 -3.628 172 HE ARG 27 HE ARG 27 -12.310 -10.399 -2.790 173 HH11 ARG 27 1HH2 ARG 27 -10.847 -9.556 -5.885 174 HH12 ARG 27 2HH2 ARG 27 -11.850 -10.654 -6.768 175 HH21 ARG 27 1HH1 ARG 27 -13.580 -11.799 -4.004 176 HH22 ARG 27 2HH1 ARG 27 -13.380 -11.904 -5.722 177 H THR 28 H THR 28 -9.399 -4.548 -0.744 178 HA THR 28 HA THR 28 -6.496 -4.264 -0.672 179 HB THR 28 HB THR 28 -6.951 -1.911 -1.251 180 HG1 THR 28 1HG THR 28 -8.791 -1.577 -0.025 181 HG21 THR 28 3HG2 THR 28 -8.544 -3.982 -2.759 182 HG22 THR 28 1HG2 THR 28 -6.946 -3.346 -3.149 183 HG23 THR 28 2HG2 THR 28 -8.369 -2.322 -3.329 184 H ASN 29 H ASN 29 -6.632 -1.585 0.660 185 HA ASN 29 HA ASN 29 -6.613 -2.548 3.418 186 HB2 ASN 29 2HB ASN 29 -5.042 -0.722 1.938 187 HB3 ASN 29 1HB ASN 29 -5.916 0.263 3.112 188 HD21 ASN 29 1HD2 ASN 29 -3.343 -2.050 2.710 189 HD22 ASN 29 2HD2 ASN 29 -2.910 -2.156 4.359 190 H GLY 30 H GLY 30 -9.216 -2.031 1.931 191 HA2 GLY 30 2HA GLY 30 -11.296 -1.253 2.559 192 HA3 GLY 30 1HA GLY 30 -10.564 -0.612 4.030 193 H MET 31 H MET 31 -8.968 0.354 1.125 194 HA MET 31 HA MET 31 -10.339 2.969 1.171 195 HB2 MET 31 2HB MET 31 -7.400 2.322 0.821 196 HB3 MET 31 1HB MET 31 -8.101 3.910 0.498 197 HG2 MET 31 2HG MET 31 -8.422 4.385 2.725 198 HG3 MET 31 1HG MET 31 -8.770 2.710 3.145 199 HE1 MET 31 3HE MET 31 -5.255 3.845 1.204 200 HE2 MET 31 1HE MET 31 -4.804 4.836 2.598 201 HE3 MET 31 2HE MET 31 -6.344 5.101 1.783 202 H CYS 32 H CYS 32 -10.138 4.151 -0.892 203 HA CYS 32 HA CYS 32 -10.888 2.480 -3.071 204 HB2 CYS 32 2HB CYS 32 -11.322 4.565 -4.259 205 HB3 CYS 32 1HB CYS 32 -11.957 4.666 -2.626 206 H SER 33 H SER 33 -9.856 3.709 -5.304 207 HA SER 33 HA SER 33 -7.318 2.410 -5.528 208 HB2 SER 33 2HB SER 33 -7.560 3.801 -7.869 209 HB3 SER 33 1HB SER 33 -8.291 2.241 -7.546 210 HG SER 33 HG SER 33 -9.510 4.491 -8.116 211 H VAL 34 H VAL 34 -8.299 5.817 -5.368 212 HA VAL 34 HA VAL 34 -5.724 6.853 -6.043 213 HB VAL 34 HB VAL 34 -7.835 8.354 -4.484 214 HG11 VAL 34 1HG1 VAL 34 -6.901 10.245 -5.802 215 HG12 VAL 34 2HG1 VAL 34 -5.731 9.135 -6.516 216 HG13 VAL 34 3HG1 VAL 34 -5.687 9.472 -4.785 217 HG21 VAL 34 3HG2 VAL 34 -9.126 7.524 -6.283 218 HG22 VAL 34 1HG2 VAL 34 -7.762 7.572 -7.401 219 HG23 VAL 34 2HG2 VAL 34 -8.540 9.071 -6.893 220 H CYS 35 H CYS 35 -7.433 6.532 -2.951 221 HA CYS 35 HA CYS 35 -5.312 7.535 -1.348 222 HB2 CYS 35 2HB CYS 35 -7.646 5.792 -0.527 223 HB3 CYS 35 1HB CYS 35 -6.601 6.707 0.560 224 H TYR 36 H TYR 36 -6.217 4.283 -2.396 225 HA TYR 36 HA TYR 36 -4.489 2.907 -0.596 226 HB2 TYR 36 2HB TYR 36 -6.411 1.803 -1.658 227 HB3 TYR 36 1HB TYR 36 -5.646 1.970 -3.237 228 HD1 TYR 36 1HD TYR 36 -4.887 0.613 0.202 229 HD2 TYR 36 2HD TYR 36 -4.383 0.182 -4.046 230 HE1 TYR 36 1HE TYR 36 -3.675 -1.523 0.559 231 HE2 TYR 36 2HE TYR 36 -3.171 -1.953 -3.684 232 HH TYR 36 HH TYR 36 -1.742 -2.870 -1.246 233 H LYS 37 H LYS 37 -3.925 4.476 -3.725 234 HA LYS 37 HA LYS 37 -1.436 3.096 -4.190 235 HB2 LYS 37 2HB LYS 37 -3.092 4.323 -5.880 236 HB3 LYS 37 1HB LYS 37 -2.082 5.714 -5.489 237 HG2 LYS 37 2HG LYS 37 -0.169 4.766 -6.418 238 HG3 LYS 37 1HG LYS 37 -0.747 3.117 -6.181 239 HD2 LYS 37 2HD LYS 37 -0.990 3.388 -8.490 240 HD3 LYS 37 1HD LYS 37 -2.602 3.796 -7.902 241 HE2 LYS 37 2HE LYS 37 -2.224 6.124 -8.147 242 HE3 LYS 37 1HE LYS 37 -0.478 5.908 -8.273 243 HZ1 LYS 37 3HZ LYS 37 -2.542 5.172 -10.268 244 HZ2 LYS 37 1HZ LYS 37 -0.940 4.619 -10.356 245 HZ3 LYS 37 2HZ LYS 37 -1.270 6.284 -10.446 246 H GLU 38 H GLU 38 -2.458 6.309 -3.067 247 HA GLU 38 HA GLU 38 0.141 7.375 -2.679 248 HB2 GLU 38 2HB GLU 38 -2.548 8.065 -1.488 249 HB3 GLU 38 1HB GLU 38 -1.088 8.985 -1.130 250 HG2 GLU 38 2HG GLU 38 -1.536 8.500 -4.021 251 HG3 GLU 38 1HG GLU 38 -2.783 9.480 -3.250 252 H HIS 39 H HIS 39 -2.064 5.576 -0.566 253 HA HIS 39 HA HIS 39 -0.585 5.850 1.836 254 HB2 HIS 39 2HB HIS 39 -3.002 5.058 1.532 255 HB3 HIS 39 1HB HIS 39 -2.316 3.487 1.105 256 HD1 HIS 39 1HD HIS 39 -2.070 6.021 3.946 257 HD2 HIS 39 2HD HIS 39 -1.802 1.909 3.309 258 HE1 HIS 39 1HE HIS 39 -1.840 4.958 6.225 259 HE2 HIS 39 2HE HIS 39 -1.637 2.453 5.861 260 H LEU 40 H LEU 40 -0.557 3.396 -0.731 261 HA LEU 40 HA LEU 40 1.271 1.656 0.600 262 HB2 LEU 40 2HB LEU 40 -0.356 1.520 -1.670 263 HB3 LEU 40 1HB LEU 40 1.274 1.369 -2.312 264 HG LEU 40 HG LEU 40 1.685 -0.419 -0.559 265 HD11 LEU 40 1HD1 LEU 40 -1.323 -0.142 -0.229 266 HD12 LEU 40 2HD1 LEU 40 -0.112 0.231 0.998 267 HD13 LEU 40 3HD1 LEU 40 -0.343 -1.435 0.464 268 HD21 LEU 40 3HD2 LEU 40 0.714 -2.125 -1.889 269 HD22 LEU 40 1HD2 LEU 40 0.914 -0.778 -3.007 270 HD23 LEU 40 2HD2 LEU 40 -0.671 -1.123 -2.315 271 H GLN 41 H GLN 41 1.739 4.165 -1.914 272 HA GLN 41 HA GLN 41 4.484 3.595 -2.338 273 HB2 GLN 41 2HB GLN 41 4.606 5.805 -3.400 274 HB3 GLN 41 1HB GLN 41 3.187 4.915 -3.939 275 HG2 GLN 41 2HG GLN 41 1.794 6.172 -2.319 276 HG3 GLN 41 1HG GLN 41 3.223 7.078 -1.810 277 HE21 GLN 41 1HE2 GLN 41 4.075 8.695 -3.267 278 HE22 GLN 41 2HE2 GLN 41 3.212 9.201 -4.652 279 H ARG 42 H ARG 42 2.811 5.649 -0.017 280 HA ARG 42 HA ARG 42 5.222 6.839 1.029 281 HB2 ARG 42 2HB ARG 42 2.766 7.760 1.082 282 HB3 ARG 42 1HB ARG 42 2.628 6.779 2.542 283 HG2 ARG 42 2HG ARG 42 4.397 7.960 3.624 284 HG3 ARG 42 1HG ARG 42 4.905 8.726 2.121 285 HD2 ARG 42 2HD ARG 42 2.350 9.615 2.223 286 HD3 ARG 42 1HD ARG 42 2.660 9.429 3.947 287 HE ARG 42 HE ARG 42 4.854 10.792 3.006 288 HH11 ARG 42 1HH2 ARG 42 1.386 11.354 2.884 289 HH12 ARG 42 2HH2 ARG 42 1.560 13.072 2.893 290 HH21 ARG 42 1HH1 ARG 42 5.012 13.042 2.996 291 HH22 ARG 42 2HH1 ARG 42 3.582 14.020 2.954 292 H GLN 43 H GLN 43 3.309 3.984 1.702 293 HA GLN 43 HA GLN 43 4.435 3.462 4.306 294 HB2 GLN 43 2HB GLN 43 2.175 2.641 3.453 295 HB3 GLN 43 1HB GLN 43 3.071 1.472 2.486 296 HG2 GLN 43 2HG GLN 43 4.147 0.608 4.541 297 HG3 GLN 43 1HG GLN 43 3.219 1.756 5.500 298 HE21 GLN 43 1HE2 GLN 43 1.217 1.032 6.237 299 HE22 GLN 43 2HE2 GLN 43 0.387 -0.314 5.618 300 H GLN 44 H GLN 44 5.109 2.451 0.985 301 HA GLN 44 HA GLN 44 7.039 0.451 1.741 302 HB2 GLN 44 2HB GLN 44 7.481 0.234 -0.653 303 HB3 GLN 44 1HB GLN 44 5.746 0.257 -0.346 304 HG2 GLN 44 2HG GLN 44 5.693 2.670 -0.950 305 HG3 GLN 44 1HG GLN 44 7.418 2.606 -1.300 306 HE21 GLN 44 1HE2 GLN 44 4.265 1.266 -2.336 307 HE22 GLN 44 2HE2 GLN 44 4.776 0.872 -3.916 308 H ASN 45 H ASN 45 7.224 3.878 1.174 309 HA ASN 45 HA ASN 45 9.866 4.176 0.317 310 HB2 ASN 45 2HB ASN 45 8.056 5.964 0.549 311 HB3 ASN 45 1HB ASN 45 8.531 6.067 2.244 312 HD21 ASN 45 1HD2 ASN 45 9.063 7.603 -0.619 313 HD22 ASN 45 2HD2 ASN 45 10.659 8.146 -0.362 314 H SER 46 H SER 46 8.617 3.789 3.627 315 HA SER 46 HA SER 46 11.384 3.293 4.538 316 HB2 SER 46 2HB SER 46 10.576 5.636 5.115 317 HB3 SER 46 1HB SER 46 9.384 4.868 6.160 318 HG SER 46 HG SER 46 10.907 4.476 7.548 319 H GLY 47 H GLY 47 7.983 3.233 5.657 320 HA2 GLY 47 2HA GLY 47 6.756 1.554 6.654 321 HA3 GLY 47 1HA GLY 47 8.017 0.421 6.168 322 H ARG 48 H ARG 48 8.000 3.282 8.316 323 HA ARG 48 HA ARG 48 9.113 1.581 10.480 324 HB2 ARG 48 2HB ARG 48 10.647 3.346 9.425 325 HB3 ARG 48 1HB ARG 48 9.601 4.542 10.189 326 HG2 ARG 48 2HG ARG 48 10.077 3.671 12.387 327 HG3 ARG 48 1HG ARG 48 10.913 2.272 11.710 328 HD2 ARG 48 2HD ARG 48 11.800 5.158 11.431 329 HD3 ARG 48 1HD ARG 48 12.524 3.966 12.505 330 HE ARG 48 HE ARG 48 12.668 2.799 10.031 331 HH11 ARG 48 1HH2 ARG 48 13.744 5.892 11.319 332 HH12 ARG 48 2HH2 ARG 48 15.078 5.996 10.225 333 HH21 ARG 48 1HH1 ARG 48 14.414 2.998 8.638 334 HH22 ARG 48 2HH1 ARG 48 15.453 4.380 8.722 335 H MET 49 H MET 49 8.547 2.231 12.666 336 HA MET 49 HA MET 49 5.775 2.877 12.937 337 HB2 MET 49 2HB MET 49 7.957 2.722 15.036 338 HB3 MET 49 1HB MET 49 6.225 2.796 15.363 339 HG2 MET 49 2HG MET 49 5.872 0.690 14.173 340 HG3 MET 49 1HG MET 49 7.581 0.620 13.740 341 HE1 MET 49 3HE MET 49 7.234 -2.245 16.313 342 HE2 MET 49 1HE MET 49 7.781 -1.760 14.704 343 HE3 MET 49 2HE MET 49 6.065 -1.721 15.103 344 H SER 50 H SER 50 5.009 4.878 12.600 345 HA SER 50 HA SER 50 6.260 7.117 14.014 346 HB2 SER 50 2HB SER 50 6.133 8.515 11.932 347 HB3 SER 50 1HB SER 50 7.357 7.251 11.883 348 HG SER 50 HG SER 50 6.310 6.920 10.035 349 HA PRO 51 HA PRO 51 2.051 8.330 14.656 350 HB2 PRO 51 2HB PRO 51 2.188 11.079 14.600 351 HB3 PRO 51 1HB PRO 51 2.750 10.091 15.962 352 HG2 PRO 51 2HG PRO 51 4.317 11.341 13.762 353 HG3 PRO 51 1HG PRO 51 4.696 11.215 15.488 354 HD2 PRO 51 2HD PRO 51 5.821 9.576 13.639 355 HD3 PRO 51 1HD PRO 51 5.481 9.043 15.299 356 H MET 52 H MET 52 0.180 9.490 13.696 357 HA MET 52 HA MET 52 0.018 9.104 10.894 358 HB2 MET 52 2HB MET 52 -2.215 10.205 11.096 359 HB3 MET 52 1HB MET 52 -1.979 8.895 12.248 360 HG2 MET 52 2HG MET 52 -1.546 10.452 14.042 361 HG3 MET 52 1HG MET 52 -1.489 11.810 12.922 362 HE1 MET 52 3HE MET 52 -3.256 10.950 15.649 363 HE2 MET 52 1HE MET 52 -4.724 11.885 15.331 364 HE3 MET 52 2HE MET 52 -3.140 12.604 15.051 365 H GLY 53 H GLY 53 0.654 11.948 12.875 366 HA2 GLY 53 2HA GLY 53 1.798 13.873 12.174 367 HA3 GLY 53 1HA GLY 53 1.536 13.395 10.501 368 H THR 54 H THR 54 -0.872 13.408 9.838 369 HA THR 54 HA THR 54 -1.889 16.063 10.379 370 HB THR 54 HB THR 54 -3.277 13.954 8.737 371 HG1 THR 54 1HG THR 54 -1.134 15.649 7.977 372 HG21 THR 54 3HG2 THR 54 -4.166 15.837 7.557 373 HG22 THR 54 1HG2 THR 54 -3.024 16.940 8.326 374 HG23 THR 54 2HG2 THR 54 -4.321 16.213 9.274 375 H ALA 55 H ALA 55 -3.676 16.626 11.522 376 HA ALA 55 HA ALA 55 -4.698 14.758 13.455 377 HB1 ALA 55 1HB ALA 55 -4.485 17.022 14.176 378 HB2 ALA 55 2HB ALA 55 -6.216 16.716 14.037 379 HB3 ALA 55 3HB ALA 55 -5.377 17.622 12.779 380 H SER 56 H SER 56 -7.031 14.362 13.761 381 HA SER 56 HA SER 56 -8.267 13.606 11.236 382 HB2 SER 56 2HB SER 56 -8.185 12.140 13.330 383 HB3 SER 56 1HB SER 56 -9.410 13.213 14.002 384 HG SER 56 HG SER 56 -10.820 12.223 12.813 385 H GLY 57 H GLY 57 -10.851 13.830 11.413 386 HA2 GLY 57 2HA GLY 57 -12.699 15.217 11.439 387 HA3 GLY 57 1HA GLY 57 -11.819 16.299 12.515 388 H SER 58 H SER 58 -11.109 15.167 9.202 389 HA SER 58 HA SER 58 -10.497 17.897 8.390 390 HB2 SER 58 2HB SER 58 -9.749 16.857 6.294 391 HB3 SER 58 1HB SER 58 -9.025 16.055 7.685 392 HG SER 58 HG SER 58 -9.958 14.645 6.042 393 H ASN 59 H ASN 59 -12.852 15.349 7.651 394 HA ASN 59 HA ASN 59 -14.239 16.980 5.695 395 HB2 ASN 59 2HB ASN 59 -14.710 14.250 6.881 396 HB3 ASN 59 1HB ASN 59 -15.906 15.029 5.845 397 HD21 ASN 59 1HD2 ASN 59 -12.907 13.281 5.860 398 HD22 ASN 59 2HD2 ASN 59 -12.610 13.367 4.191 399 H SER 60 H SER 60 -15.775 18.419 6.145 400 HA SER 60 HA SER 60 -17.645 18.023 8.320 401 HB2 SER 60 2HB SER 60 -15.713 20.353 8.373 402 HB3 SER 60 1HB SER 60 -17.127 20.191 9.410 403 HG SER 60 HG SER 60 -15.472 19.340 10.561 404 HA PRO 61 HA PRO 61 -20.382 20.236 5.641 405 HB2 PRO 61 2HB PRO 61 -21.234 21.977 7.902 406 HB3 PRO 61 1HB PRO 61 -22.203 20.913 6.867 407 HG2 PRO 61 2HG PRO 61 -21.642 20.277 9.391 408 HG3 PRO 61 1HG PRO 61 -21.738 19.049 8.116 409 HD2 PRO 61 2HD PRO 61 -19.313 20.210 9.436 410 HD3 PRO 61 1HD PRO 61 -19.597 18.556 8.848 411 H THR 62 H THR 62 -20.237 21.955 4.259 412 HA THR 62 HA THR 62 -18.140 23.890 4.686 413 HB THR 62 HB THR 62 -18.459 23.001 2.450 414 HG1 THR 62 1HG THR 62 -18.548 24.961 1.374 415 HG21 THR 62 3HG2 THR 62 -20.634 23.918 1.258 416 HG22 THR 62 1HG2 THR 62 -21.279 23.910 2.898 417 HG23 THR 62 2HG2 THR 62 -20.688 22.413 2.175 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -28.872 -18.380 5.906 2 H2 GLY 1 2HT GLY 1 -29.910 -19.425 5.060 3 H3 GLY 1 3HT GLY 1 -30.463 -17.900 5.568 4 HA2 GLY 1 2HA GLY 1 -28.468 -18.495 3.457 5 HA3 GLY 1 1HA GLY 1 -30.037 -17.710 3.265 6 H SER 2 H SER 2 -30.351 -15.619 4.385 7 HA SER 2 HA SER 2 -27.851 -14.155 4.949 8 HB2 SER 2 2HB SER 2 -28.518 -13.748 2.579 9 HB3 SER 2 1HB SER 2 -30.059 -13.122 3.153 10 HG SER 2 HG SER 2 -28.667 -11.404 2.907 11 H MET 3 H MET 3 -28.161 -13.723 7.068 12 HA MET 3 HA MET 3 -30.792 -12.737 7.964 13 HB2 MET 3 2HB MET 3 -28.388 -13.719 9.522 14 HB3 MET 3 1HB MET 3 -29.888 -13.138 10.245 15 HG2 MET 3 2HG MET 3 -31.156 -14.919 9.221 16 HG3 MET 3 1HG MET 3 -29.764 -15.426 8.264 17 HE1 MET 3 3HE MET 3 -30.749 -14.766 12.157 18 HE2 MET 3 1HE MET 3 -30.966 -16.500 12.441 19 HE3 MET 3 2HE MET 3 -31.837 -15.700 11.134 20 H ALA 4 H ALA 4 -30.739 -10.595 7.295 21 HA ALA 4 HA ALA 4 -28.607 -8.899 8.468 22 HB1 ALA 4 1HB ALA 4 -30.337 -8.155 6.113 23 HB2 ALA 4 2HB ALA 4 -28.815 -9.024 5.924 24 HB3 ALA 4 3HB ALA 4 -28.827 -7.412 6.638 25 H GLN 5 H GLN 5 -32.086 -9.242 7.916 26 HA GLN 5 HA GLN 5 -32.859 -6.749 9.034 27 HB2 GLN 5 2HB GLN 5 -34.389 -9.340 8.721 28 HB3 GLN 5 1HB GLN 5 -35.113 -7.812 9.223 29 HG2 GLN 5 2HG GLN 5 -34.609 -6.772 7.140 30 HG3 GLN 5 1HG GLN 5 -33.521 -8.076 6.669 31 HE21 GLN 5 1HE2 GLN 5 -34.667 -10.326 6.503 32 HE22 GLN 5 2HE2 GLN 5 -36.240 -10.322 5.844 33 H GLU 6 H GLU 6 -32.265 -9.932 10.444 34 HA GLU 6 HA GLU 6 -33.141 -8.974 13.079 35 HB2 GLU 6 2HB GLU 6 -32.363 -11.712 12.055 36 HB3 GLU 6 1HB GLU 6 -32.762 -11.373 13.740 37 HG2 GLU 6 2HG GLU 6 -34.637 -10.549 11.534 38 HG3 GLU 6 1HG GLU 6 -34.665 -12.196 12.162 39 H THR 7 H THR 7 -31.014 -7.535 12.412 40 HA THR 7 HA THR 7 -28.951 -8.510 14.250 41 HB THR 7 HB THR 7 -27.133 -7.953 12.696 42 HG1 THR 7 1HG THR 7 -28.129 -6.454 11.403 43 HG21 THR 7 3HG2 THR 7 -29.090 -9.837 11.364 44 HG22 THR 7 1HG2 THR 7 -28.131 -10.267 12.780 45 HG23 THR 7 2HG2 THR 7 -27.330 -9.875 11.259 46 H ASN 8 H ASN 8 -27.621 -6.817 15.105 47 HA ASN 8 HA ASN 8 -28.997 -4.342 15.473 48 HB2 ASN 8 2HB ASN 8 -26.226 -5.280 16.220 49 HB3 ASN 8 1HB ASN 8 -26.822 -3.670 16.620 50 HD21 ASN 8 1HD2 ASN 8 -26.301 -6.403 18.183 51 HD22 ASN 8 2HD2 ASN 8 -27.680 -6.497 19.183 52 H GLN 9 H GLN 9 -25.986 -5.209 13.771 53 HA GLN 9 HA GLN 9 -26.253 -2.720 12.182 54 HB2 GLN 9 2HB GLN 9 -23.756 -2.812 11.936 55 HB3 GLN 9 1HB GLN 9 -24.300 -2.492 13.581 56 HG2 GLN 9 2HG GLN 9 -23.943 -4.829 14.194 57 HG3 GLN 9 1HG GLN 9 -23.513 -5.230 12.531 58 HE21 GLN 9 1HE2 GLN 9 -22.078 -4.730 15.450 59 HE22 GLN 9 2HE2 GLN 9 -20.593 -4.066 14.938 60 H THR 10 H THR 10 -24.856 -2.986 10.076 61 HA THR 10 HA THR 10 -25.126 -5.699 8.972 62 HB THR 10 HB THR 10 -26.208 -4.760 6.935 63 HG1 THR 10 1HG THR 10 -26.440 -2.449 8.563 64 HG21 THR 10 3HG2 THR 10 -27.797 -4.087 9.415 65 HG22 THR 10 1HG2 THR 10 -27.466 -5.748 8.923 66 HG23 THR 10 2HG2 THR 10 -28.403 -4.687 7.871 67 HA PRO 11 HA PRO 11 -21.084 -3.809 7.770 68 HB2 PRO 11 2HB PRO 11 -20.180 -6.619 7.662 69 HB3 PRO 11 1HB PRO 11 -19.533 -5.265 8.606 70 HG2 PRO 11 2HG PRO 11 -20.858 -7.306 9.737 71 HG3 PRO 11 1HG PRO 11 -20.928 -5.652 10.371 72 HD2 PRO 11 2HD PRO 11 -22.962 -7.124 8.723 73 HD3 PRO 11 1HD PRO 11 -23.209 -6.017 10.093 74 H GLY 12 H GLY 12 -20.405 -3.465 5.686 75 HA2 GLY 12 2HA GLY 12 -20.248 -5.272 3.596 76 HA3 GLY 12 1HA GLY 12 -21.877 -4.602 3.513 77 HA PRO 13 HA PRO 13 -20.392 -0.918 1.585 78 HB2 PRO 13 2HB PRO 13 -21.114 1.240 3.129 79 HB3 PRO 13 1HB PRO 13 -22.250 0.308 2.132 80 HG2 PRO 13 2HG PRO 13 -21.775 0.208 5.060 81 HG3 PRO 13 1HG PRO 13 -23.283 0.027 4.144 82 HD2 PRO 13 2HD PRO 13 -21.882 -2.087 5.210 83 HD3 PRO 13 1HD PRO 13 -22.960 -2.223 3.802 84 H MET 14 H MET 14 -18.163 -1.712 2.083 85 HA MET 14 HA MET 14 -16.659 -0.540 4.214 86 HB2 MET 14 2HB MET 14 -15.949 -2.130 1.757 87 HB3 MET 14 1HB MET 14 -14.688 -1.394 2.747 88 HG2 MET 14 2HG MET 14 -16.857 -3.150 3.920 89 HG3 MET 14 1HG MET 14 -15.316 -3.794 3.354 90 HE1 MET 14 3HE MET 14 -15.034 -4.572 6.404 91 HE2 MET 14 1HE MET 14 -13.398 -3.920 6.239 92 HE3 MET 14 2HE MET 14 -14.208 -4.639 4.850 93 H LEU 15 H LEU 15 -17.192 1.697 3.956 94 HA LEU 15 HA LEU 15 -16.443 3.142 1.586 95 HB2 LEU 15 2HB LEU 15 -17.950 3.654 3.941 96 HB3 LEU 15 1HB LEU 15 -16.654 4.843 3.925 97 HG LEU 15 HG LEU 15 -17.280 5.425 1.569 98 HD11 LEU 15 1HD1 LEU 15 -19.670 4.656 0.943 99 HD12 LEU 15 2HD1 LEU 15 -19.430 3.383 2.139 100 HD13 LEU 15 3HD1 LEU 15 -18.363 3.491 0.738 101 HD21 LEU 15 3HD2 LEU 15 -19.233 5.684 3.847 102 HD22 LEU 15 1HD2 LEU 15 -19.601 6.395 2.275 103 HD23 LEU 15 2HD2 LEU 15 -18.162 6.906 3.166 104 H CYS 16 H CYS 16 -14.655 4.455 1.236 105 HA CYS 16 HA CYS 16 -12.168 3.673 1.966 106 HB2 CYS 16 2HB CYS 16 -12.876 5.420 0.238 107 HB3 CYS 16 1HB CYS 16 -12.751 6.594 1.555 108 H SER 17 H SER 17 -10.807 3.803 3.577 109 HA SER 17 HA SER 17 -11.597 4.652 6.168 110 HB2 SER 17 2HB SER 17 -8.815 4.039 5.147 111 HB3 SER 17 1HB SER 17 -9.301 4.124 6.841 112 HG SER 17 HG SER 17 -10.651 2.373 6.502 113 H THR 18 H THR 18 -9.733 6.233 3.626 114 HA THR 18 HA THR 18 -8.750 8.352 5.282 115 HB THR 18 HB THR 18 -8.147 9.441 3.142 116 HG1 THR 18 1HG THR 18 -9.446 8.928 1.585 117 HG21 THR 18 3HG2 THR 18 -7.515 6.478 3.236 118 HG22 THR 18 1HG2 THR 18 -6.692 7.715 4.183 119 HG23 THR 18 2HG2 THR 18 -6.561 7.720 2.424 120 H GLY 19 H GLY 19 -11.881 7.772 3.972 121 HA2 GLY 19 2HA GLY 19 -13.805 9.024 4.193 122 HA3 GLY 19 1HA GLY 19 -12.854 10.268 5.002 123 H CYS 20 H CYS 20 -12.476 8.901 1.722 124 HA CYS 20 HA CYS 20 -12.372 11.600 0.656 125 HB2 CYS 20 2HB CYS 20 -11.644 10.582 -1.424 126 HB3 CYS 20 1HB CYS 20 -10.728 9.911 -0.077 127 H GLY 21 H GLY 21 -14.839 9.245 1.079 128 HA2 GLY 21 2HA GLY 21 -17.123 9.732 0.681 129 HA3 GLY 21 1HA GLY 21 -16.639 10.874 -0.568 130 H PHE 22 H PHE 22 -14.895 8.029 -1.044 131 HA PHE 22 HA PHE 22 -16.863 7.064 -3.022 132 HB2 PHE 22 2HB PHE 22 -13.836 7.030 -3.077 133 HB3 PHE 22 1HB PHE 22 -14.870 6.240 -4.280 134 HD1 PHE 22 1HD PHE 22 -16.774 7.772 -5.292 135 HD2 PHE 22 2HD PHE 22 -13.184 9.245 -3.453 136 HE1 PHE 22 1HE PHE 22 -17.059 9.936 -6.470 137 HE2 PHE 22 2HE PHE 22 -13.468 11.411 -4.631 138 HZ PHE 22 HZ PHE 22 -15.409 11.753 -6.140 139 H TYR 23 H TYR 23 -16.693 4.729 -3.533 140 HA TYR 23 HA TYR 23 -16.901 3.162 -1.165 141 HB2 TYR 23 2HB TYR 23 -17.975 2.875 -3.564 142 HB3 TYR 23 1HB TYR 23 -16.535 1.902 -3.864 143 HD1 TYR 23 2HD TYR 23 -19.187 2.377 -1.258 144 HD2 TYR 23 1HD TYR 23 -16.604 -0.372 -3.310 145 HE1 TYR 23 2HE TYR 23 -20.242 0.488 -0.048 146 HE2 TYR 23 1HE TYR 23 -17.662 -2.267 -2.106 147 HH TYR 23 HH TYR 23 -19.860 -2.730 -0.972 148 H GLY 24 H GLY 24 -15.559 1.570 -0.328 149 HA2 GLY 24 2HA GLY 24 -12.745 1.633 -1.269 150 HA3 GLY 24 1HA GLY 24 -13.248 1.324 0.395 151 H ASN 25 H ASN 25 -11.532 -0.393 -1.028 152 HA ASN 25 HA ASN 25 -13.223 -2.747 -1.614 153 HB2 ASN 25 2HB ASN 25 -11.379 -1.770 -3.232 154 HB3 ASN 25 1HB ASN 25 -10.292 -2.675 -2.189 155 HD21 ASN 25 1HD2 ASN 25 -9.966 -3.933 -4.308 156 HD22 ASN 25 2HD2 ASN 25 -11.042 -5.216 -4.632 157 HA PRO 26 HA PRO 26 -11.647 -4.126 2.417 158 HB2 PRO 26 2HB PRO 26 -12.866 -6.566 2.476 159 HB3 PRO 26 1HB PRO 26 -13.688 -5.043 2.863 160 HG2 PRO 26 2HG PRO 26 -13.710 -6.602 0.317 161 HG3 PRO 26 1HG PRO 26 -15.057 -5.829 1.169 162 HD2 PRO 26 2HD PRO 26 -13.876 -4.669 -0.979 163 HD3 PRO 26 1HD PRO 26 -14.526 -3.710 0.369 164 H ARG 27 H ARG 27 -11.215 -5.664 -0.693 165 HA ARG 27 HA ARG 27 -9.392 -7.716 0.193 166 HB2 ARG 27 2HB ARG 27 -10.088 -6.553 -2.508 167 HB3 ARG 27 1HB ARG 27 -8.840 -7.780 -2.301 168 HG2 ARG 27 2HG ARG 27 -10.543 -9.236 -1.169 169 HG3 ARG 27 1HG ARG 27 -11.771 -8.035 -1.569 170 HD2 ARG 27 2HD ARG 27 -11.959 -9.487 -3.380 171 HD3 ARG 27 1HD ARG 27 -10.826 -8.299 -4.010 172 HE ARG 27 HE ARG 27 -9.374 -10.366 -2.733 173 HH11 ARG 27 1HH2 ARG 27 -11.344 -9.875 -5.610 174 HH12 ARG 27 2HH2 ARG 27 -10.488 -11.070 -6.521 175 HH21 ARG 27 1HH1 ARG 27 -8.303 -11.900 -3.979 176 HH22 ARG 27 2HH1 ARG 27 -8.787 -12.196 -5.614 177 H THR 28 H THR 28 -9.230 -4.391 -0.881 178 HA THR 28 HA THR 28 -6.328 -4.347 -1.131 179 HB THR 28 HB THR 28 -6.622 -1.947 -1.564 180 HG1 THR 28 1HG THR 28 -8.581 -0.984 -1.279 181 HG21 THR 28 3HG2 THR 28 -8.343 -3.942 -2.960 182 HG22 THR 28 1HG2 THR 28 -7.023 -2.954 -3.588 183 HG23 THR 28 2HG2 THR 28 -8.612 -2.238 -3.326 184 H ASN 29 H ASN 29 -6.017 -1.743 0.298 185 HA ASN 29 HA ASN 29 -5.693 -2.839 2.978 186 HB2 ASN 29 2HB ASN 29 -4.644 -0.452 1.494 187 HB3 ASN 29 1HB ASN 29 -4.549 -0.500 3.257 188 HD21 ASN 29 1HD2 ASN 29 -2.444 -1.136 3.784 189 HD22 ASN 29 2HD2 ASN 29 -1.620 -2.435 3.044 190 H GLY 30 H GLY 30 -8.442 -2.030 1.951 191 HA2 GLY 30 2HA GLY 30 -10.305 -1.265 3.119 192 HA3 GLY 30 1HA GLY 30 -9.225 -0.494 4.283 193 H MET 31 H MET 31 -8.304 0.236 1.072 194 HA MET 31 HA MET 31 -9.725 2.827 1.181 195 HB2 MET 31 2HB MET 31 -6.870 2.112 0.619 196 HB3 MET 31 1HB MET 31 -7.572 3.520 -0.182 197 HG2 MET 31 2HG MET 31 -6.625 4.352 1.813 198 HG3 MET 31 1HG MET 31 -8.348 4.261 2.147 199 HE1 MET 31 3HE MET 31 -5.720 4.529 3.618 200 HE2 MET 31 1HE MET 31 -4.816 3.030 3.876 201 HE3 MET 31 2HE MET 31 -5.893 3.642 5.130 202 H CYS 32 H CYS 32 -9.990 3.878 -0.899 203 HA CYS 32 HA CYS 32 -11.041 2.094 -2.866 204 HB2 CYS 32 2HB CYS 32 -11.728 4.126 -4.045 205 HB3 CYS 32 1HB CYS 32 -12.085 4.277 -2.332 206 H SER 33 H SER 33 -10.242 3.576 -5.270 207 HA SER 33 HA SER 33 -7.844 2.118 -5.835 208 HB2 SER 33 2HB SER 33 -8.199 3.700 -8.034 209 HB3 SER 33 1HB SER 33 -9.003 2.164 -7.762 210 HG SER 33 HG SER 33 -10.311 4.154 -8.257 211 H VAL 34 H VAL 34 -8.589 5.613 -5.708 212 HA VAL 34 HA VAL 34 -5.941 6.451 -6.326 213 HB VAL 34 HB VAL 34 -8.023 8.078 -4.851 214 HG11 VAL 34 1HG1 VAL 34 -5.673 8.708 -6.649 215 HG12 VAL 34 2HG1 VAL 34 -5.922 9.209 -4.977 216 HG13 VAL 34 3HG1 VAL 34 -6.919 9.895 -6.259 217 HG21 VAL 34 3HG2 VAL 34 -9.314 7.434 -6.670 218 HG22 VAL 34 1HG2 VAL 34 -7.915 7.143 -7.700 219 HG23 VAL 34 2HG2 VAL 34 -8.460 8.794 -7.398 220 H CYS 35 H CYS 35 -7.703 6.429 -3.221 221 HA CYS 35 HA CYS 35 -5.626 7.410 -1.618 222 HB2 CYS 35 2HB CYS 35 -7.904 5.561 -0.874 223 HB3 CYS 35 1HB CYS 35 -6.880 6.415 0.282 224 H TYR 36 H TYR 36 -6.345 4.094 -2.609 225 HA TYR 36 HA TYR 36 -4.669 2.720 -0.852 226 HB2 TYR 36 2HB TYR 36 -6.330 1.590 -2.218 227 HB3 TYR 36 1HB TYR 36 -5.449 2.005 -3.686 228 HD1 TYR 36 1HD TYR 36 -4.081 0.744 -0.405 229 HD2 TYR 36 2HD TYR 36 -4.818 -0.083 -4.557 230 HE1 TYR 36 1HE TYR 36 -2.788 -1.361 -0.217 231 HE2 TYR 36 2HE TYR 36 -3.528 -2.188 -4.365 232 HH TYR 36 HH TYR 36 -2.983 -3.816 -2.207 233 H LYS 37 H LYS 37 -3.872 3.956 -4.102 234 HA LYS 37 HA LYS 37 -1.157 3.049 -3.953 235 HB2 LYS 37 2HB LYS 37 -0.787 4.355 -6.008 236 HB3 LYS 37 1HB LYS 37 -2.224 3.348 -6.136 237 HG2 LYS 37 2HG LYS 37 -3.634 5.308 -5.590 238 HG3 LYS 37 1HG LYS 37 -2.191 6.315 -5.500 239 HD2 LYS 37 2HD LYS 37 -1.680 5.584 -7.880 240 HD3 LYS 37 1HD LYS 37 -3.307 4.899 -7.923 241 HE2 LYS 37 2HE LYS 37 -4.146 7.195 -7.187 242 HE3 LYS 37 1HE LYS 37 -2.524 7.794 -7.534 243 HZ1 LYS 37 3HZ LYS 37 -3.928 8.088 -9.447 244 HZ2 LYS 37 1HZ LYS 37 -4.352 6.446 -9.446 245 HZ3 LYS 37 2HZ LYS 37 -2.755 6.907 -9.795 246 H GLU 38 H GLU 38 -2.767 6.173 -3.506 247 HA GLU 38 HA GLU 38 -0.561 7.812 -3.118 248 HB2 GLU 38 2HB GLU 38 -3.366 7.867 -2.051 249 HB3 GLU 38 1HB GLU 38 -2.194 9.087 -1.543 250 HG2 GLU 38 2HG GLU 38 -2.629 8.455 -4.463 251 HG3 GLU 38 1HG GLU 38 -3.649 9.621 -3.614 252 H HIS 39 H HIS 39 -2.175 5.702 -0.726 253 HA HIS 39 HA HIS 39 -0.366 6.654 1.351 254 HB2 HIS 39 2HB HIS 39 -1.659 5.503 2.924 255 HB3 HIS 39 1HB HIS 39 -2.821 6.093 1.746 256 HD1 HIS 39 1HD HIS 39 -4.597 4.394 1.525 257 HD2 HIS 39 2HD HIS 39 -0.860 2.586 1.845 258 HE1 HIS 39 1HE HIS 39 -4.998 1.896 1.438 259 HE2 HIS 39 2HE HIS 39 -2.724 0.782 1.609 260 H LEU 40 H LEU 40 -0.675 3.846 -0.716 261 HA LEU 40 HA LEU 40 1.103 2.101 0.623 262 HB2 LEU 40 2HB LEU 40 -0.480 1.539 -1.286 263 HB3 LEU 40 1HB LEU 40 0.724 2.239 -2.371 264 HG LEU 40 HG LEU 40 2.406 0.651 -1.258 265 HD11 LEU 40 1HD1 LEU 40 1.233 -1.435 -0.347 266 HD12 LEU 40 2HD1 LEU 40 -0.221 -0.442 -0.228 267 HD13 LEU 40 3HD1 LEU 40 1.216 -0.018 0.702 268 HD21 LEU 40 3HD2 LEU 40 0.243 -0.896 -2.665 269 HD22 LEU 40 1HD2 LEU 40 1.990 -0.959 -2.898 270 HD23 LEU 40 2HD2 LEU 40 1.067 0.405 -3.526 271 H GLN 41 H GLN 41 1.675 4.801 -1.547 272 HA GLN 41 HA GLN 41 4.364 4.219 -2.226 273 HB2 GLN 41 2HB GLN 41 2.575 6.605 -2.339 274 HB3 GLN 41 1HB GLN 41 4.305 6.884 -2.480 275 HG2 GLN 41 2HG GLN 41 4.447 5.310 -4.346 276 HG3 GLN 41 1HG GLN 41 2.736 4.915 -4.167 277 HE21 GLN 41 1HE2 GLN 41 5.006 7.338 -5.344 278 HE22 GLN 41 2HE2 GLN 41 3.838 8.323 -6.104 279 H ARG 42 H ARG 42 2.925 6.043 0.458 280 HA ARG 42 HA ARG 42 5.484 6.895 1.503 281 HB2 ARG 42 2HB ARG 42 2.665 7.019 2.574 282 HB3 ARG 42 1HB ARG 42 4.061 7.601 3.481 283 HG2 ARG 42 2HG ARG 42 4.579 9.241 1.831 284 HG3 ARG 42 1HG ARG 42 3.488 8.509 0.657 285 HD2 ARG 42 2HD ARG 42 1.588 9.018 2.246 286 HD3 ARG 42 1HD ARG 42 2.732 9.956 3.205 287 HE ARG 42 HE ARG 42 1.505 10.761 0.742 288 HH11 ARG 42 1HH2 ARG 42 4.448 11.102 2.641 289 HH12 ARG 42 2HH2 ARG 42 4.873 12.601 1.896 290 HH21 ARG 42 1HH1 ARG 42 2.114 12.717 -0.177 291 HH22 ARG 42 2HH1 ARG 42 3.573 13.505 0.324 292 H GLN 43 H GLN 43 3.264 4.234 2.041 293 HA GLN 43 HA GLN 43 4.468 3.347 4.501 294 HB2 GLN 43 2HB GLN 43 2.072 2.894 3.541 295 HB3 GLN 43 1HB GLN 43 2.864 1.574 2.685 296 HG2 GLN 43 2HG GLN 43 2.261 0.499 4.646 297 HG3 GLN 43 1HG GLN 43 3.878 1.052 5.073 298 HE21 GLN 43 1HE2 GLN 43 3.343 1.199 7.361 299 HE22 GLN 43 2HE2 GLN 43 2.314 2.410 7.954 300 H GLN 44 H GLN 44 4.764 2.566 1.069 301 HA GLN 44 HA GLN 44 6.521 0.327 1.432 302 HB2 GLN 44 2HB GLN 44 5.032 0.900 -0.606 303 HB3 GLN 44 1HB GLN 44 6.356 1.961 -1.086 304 HG2 GLN 44 2HG GLN 44 7.907 0.139 -1.161 305 HG3 GLN 44 1HG GLN 44 6.763 -0.951 -0.382 306 HE21 GLN 44 1HE2 GLN 44 6.774 1.215 -3.278 307 HE22 GLN 44 2HE2 GLN 44 6.024 0.075 -4.303 308 H ASN 45 H ASN 45 6.977 3.771 0.695 309 HA ASN 45 HA ASN 45 9.780 3.645 0.237 310 HB2 ASN 45 2HB ASN 45 7.841 5.843 0.883 311 HB3 ASN 45 1HB ASN 45 9.573 6.170 0.908 312 HD21 ASN 45 1HD2 ASN 45 7.389 7.047 -1.062 313 HD22 ASN 45 2HD2 ASN 45 7.990 6.570 -2.587 314 H SER 46 H SER 46 7.838 4.314 3.137 315 HA SER 46 HA SER 46 10.110 4.827 4.820 316 HB2 SER 46 2HB SER 46 7.629 5.572 5.123 317 HB3 SER 46 1HB SER 46 7.419 3.984 5.858 318 HG SER 46 HG SER 46 8.019 5.329 7.489 319 H GLY 47 H GLY 47 7.694 2.184 4.931 320 HA2 GLY 47 2HA GLY 47 7.936 -0.067 5.379 321 HA3 GLY 47 1HA GLY 47 9.665 0.121 5.108 322 H ARG 48 H ARG 48 7.310 1.365 7.504 323 HA ARG 48 HA ARG 48 9.107 0.406 9.659 324 HB2 ARG 48 2HB ARG 48 7.579 3.006 9.450 325 HB3 ARG 48 1HB ARG 48 8.238 2.397 10.968 326 HG2 ARG 48 2HG ARG 48 9.951 2.692 8.498 327 HG3 ARG 48 1HG ARG 48 9.720 4.024 9.633 328 HD2 ARG 48 2HD ARG 48 10.393 2.294 11.452 329 HD3 ARG 48 1HD ARG 48 11.037 1.357 10.106 330 HE ARG 48 HE ARG 48 12.173 3.747 11.229 331 HH11 ARG 48 1HH2 ARG 48 11.877 1.897 8.251 332 HH12 ARG 48 2HH2 ARG 48 13.337 2.544 7.586 333 HH21 ARG 48 1HH1 ARG 48 14.056 4.552 10.306 334 HH22 ARG 48 2HH1 ARG 48 14.554 4.030 8.732 335 H MET 49 H MET 49 5.767 1.381 8.856 336 HA MET 49 HA MET 49 4.760 -0.337 11.033 337 HB2 MET 49 2HB MET 49 3.629 1.977 9.492 338 HB3 MET 49 1HB MET 49 2.538 0.830 10.265 339 HG2 MET 49 2HG MET 49 3.563 1.230 12.430 340 HG3 MET 49 1HG MET 49 4.796 2.256 11.698 341 HE1 MET 49 3HE MET 49 3.875 4.028 9.828 342 HE2 MET 49 1HE MET 49 4.551 4.757 11.290 343 HE3 MET 49 2HE MET 49 3.067 5.395 10.589 344 H SER 50 H SER 50 4.339 -2.372 10.452 345 HA SER 50 HA SER 50 3.641 -3.009 7.685 346 HB2 SER 50 2HB SER 50 3.859 -4.990 9.940 347 HB3 SER 50 1HB SER 50 4.122 -5.247 8.218 348 HG SER 50 HG SER 50 6.137 -4.914 8.740 349 HA PRO 51 HA PRO 51 -0.714 -3.584 8.171 350 HB2 PRO 51 2HB PRO 51 -0.542 -6.465 7.446 351 HB3 PRO 51 1HB PRO 51 -1.445 -5.154 6.665 352 HG2 PRO 51 2HG PRO 51 0.752 -6.188 5.571 353 HG3 PRO 51 1HG PRO 51 0.358 -4.465 5.432 354 HD2 PRO 51 2HD PRO 51 2.391 -5.797 7.184 355 HD3 PRO 51 1HD PRO 51 2.471 -4.226 6.355 356 H MET 52 H MET 52 -2.450 -4.937 9.287 357 HA MET 52 HA MET 52 -1.514 -5.639 11.948 358 HB2 MET 52 2HB MET 52 -4.286 -5.481 10.742 359 HB3 MET 52 1HB MET 52 -3.956 -5.858 12.433 360 HG2 MET 52 2HG MET 52 -2.865 -3.364 11.128 361 HG3 MET 52 1HG MET 52 -4.466 -3.398 11.864 362 HE1 MET 52 3HE MET 52 -4.901 -4.547 13.963 363 HE2 MET 52 1HE MET 52 -4.745 -2.906 14.601 364 HE3 MET 52 2HE MET 52 -3.996 -4.258 15.447 365 H GLY 53 H GLY 53 -2.732 -7.596 12.976 366 HA2 GLY 53 2HA GLY 53 -3.172 -9.865 13.041 367 HA3 GLY 53 1HA GLY 53 -3.288 -9.847 11.284 368 H THR 54 H THR 54 -0.507 -8.745 13.164 369 HA THR 54 HA THR 54 1.177 -10.695 11.763 370 HB THR 54 HB THR 54 3.032 -9.308 12.846 371 HG1 THR 54 1HG THR 54 2.439 -7.417 13.764 372 HG21 THR 54 3HG2 THR 54 2.090 -9.089 10.476 373 HG22 THR 54 1HG2 THR 54 2.918 -7.671 11.119 374 HG23 THR 54 2HG2 THR 54 1.156 -7.723 11.087 375 H ALA 55 H ALA 55 2.805 -11.903 12.942 376 HA ALA 55 HA ALA 55 1.744 -12.978 15.429 377 HB1 ALA 55 1HB ALA 55 4.200 -13.789 13.857 378 HB2 ALA 55 2HB ALA 55 2.592 -14.480 13.644 379 HB3 ALA 55 3HB ALA 55 3.450 -14.699 15.169 380 H SER 56 H SER 56 2.671 -12.808 17.426 381 HA SER 56 HA SER 56 4.547 -10.641 17.831 382 HB2 SER 56 2HB SER 56 2.611 -11.061 19.351 383 HB3 SER 56 1HB SER 56 3.378 -12.564 19.854 384 HG SER 56 HG SER 56 3.754 -10.348 20.990 385 H GLY 57 H GLY 57 6.327 -11.086 19.558 386 HA2 GLY 57 2HA GLY 57 8.087 -12.437 20.363 387 HA3 GLY 57 1HA GLY 57 7.621 -13.692 19.220 388 H SER 58 H SER 58 9.113 -10.478 19.454 389 HA SER 58 HA SER 58 10.677 -11.092 17.011 390 HB2 SER 58 2HB SER 58 8.893 -9.164 16.984 391 HB3 SER 58 1HB SER 58 10.120 -8.276 17.883 392 HG SER 58 HG SER 58 10.009 -8.878 15.255 393 H ASN 59 H ASN 59 11.401 -11.807 19.700 394 HA ASN 59 HA ASN 59 13.239 -9.910 20.799 395 HB2 ASN 59 2HB ASN 59 12.817 -12.869 21.229 396 HB3 ASN 59 1HB ASN 59 14.070 -11.958 22.072 397 HD21 ASN 59 1HD2 ASN 59 13.426 -10.660 23.848 398 HD22 ASN 59 2HD2 ASN 59 11.811 -10.478 24.338 399 H SER 60 H SER 60 15.271 -9.472 20.216 400 HA SER 60 HA SER 60 16.977 -11.462 18.995 401 HB2 SER 60 2HB SER 60 17.439 -9.882 17.017 402 HB3 SER 60 1HB SER 60 15.958 -10.834 16.963 403 HG SER 60 HG SER 60 15.103 -8.919 16.681 404 HA PRO 61 HA PRO 61 19.251 -8.297 21.448 405 HB2 PRO 61 2HB PRO 61 20.801 -9.983 22.887 406 HB3 PRO 61 1HB PRO 61 19.111 -9.656 23.319 407 HG2 PRO 61 2HG PRO 61 20.296 -12.015 21.954 408 HG3 PRO 61 1HG PRO 61 18.978 -11.933 23.134 409 HD2 PRO 61 2HD PRO 61 18.629 -12.182 20.381 410 HD3 PRO 61 1HD PRO 61 17.390 -11.600 21.513 411 H THR 62 H THR 62 21.876 -8.493 21.983 412 HA THR 62 HA THR 62 23.414 -9.651 19.845 413 HB THR 62 HB THR 62 22.567 -7.758 18.593 414 HG1 THR 62 1HG THR 62 24.547 -6.770 18.148 415 HG21 THR 62 3HG2 THR 62 22.927 -5.440 19.371 416 HG22 THR 62 1HG2 THR 62 23.591 -6.054 20.885 417 HG23 THR 62 2HG2 THR 62 21.895 -6.333 20.488 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -31.477 21.562 3.574 2 H2 GLY 1 2HT GLY 1 -31.536 19.901 3.222 3 H3 GLY 1 3HT GLY 1 -32.784 20.927 2.699 4 HA2 GLY 1 2HA GLY 1 -31.260 22.086 1.228 5 HA3 GLY 1 1HA GLY 1 -29.963 21.023 1.773 6 H SER 2 H SER 2 -29.824 20.471 -0.557 7 HA SER 2 HA SER 2 -31.931 18.606 -1.463 8 HB2 SER 2 2HB SER 2 -29.698 19.641 -3.189 9 HB3 SER 2 1HB SER 2 -31.286 19.052 -3.669 10 HG SER 2 HG SER 2 -30.821 21.452 -3.565 11 H MET 3 H MET 3 -31.491 16.554 -0.926 12 HA MET 3 HA MET 3 -28.903 15.419 -1.661 13 HB2 MET 3 2HB MET 3 -29.967 15.478 1.162 14 HB3 MET 3 1HB MET 3 -28.803 14.268 0.619 15 HG2 MET 3 2HG MET 3 -27.327 16.163 -0.163 16 HG3 MET 3 1HG MET 3 -28.444 17.277 0.627 17 HE1 MET 3 3HE MET 3 -25.464 17.097 1.042 18 HE2 MET 3 1HE MET 3 -25.143 17.031 2.781 19 HE3 MET 3 2HE MET 3 -26.307 18.188 2.139 20 H ALA 4 H ALA 4 -29.674 13.934 -3.068 21 HA ALA 4 HA ALA 4 -31.563 11.921 -2.023 22 HB1 ALA 4 1HB ALA 4 -31.755 12.867 -4.871 23 HB2 ALA 4 2HB ALA 4 -32.615 13.716 -3.587 24 HB3 ALA 4 3HB ALA 4 -32.956 12.015 -3.902 25 H GLN 5 H GLN 5 -28.659 11.873 -2.297 26 HA GLN 5 HA GLN 5 -28.434 9.574 -4.135 27 HB2 GLN 5 2HB GLN 5 -26.642 11.996 -4.002 28 HB3 GLN 5 1HB GLN 5 -26.066 10.450 -4.630 29 HG2 GLN 5 2HG GLN 5 -28.217 10.511 -6.097 30 HG3 GLN 5 1HG GLN 5 -28.242 12.230 -5.711 31 HE21 GLN 5 1HE2 GLN 5 -26.806 13.588 -6.857 32 HE22 GLN 5 2HE2 GLN 5 -25.633 13.010 -7.953 33 H GLU 6 H GLU 6 -28.836 9.628 -1.284 34 HA GLU 6 HA GLU 6 -26.345 8.287 -0.426 35 HB2 GLU 6 2HB GLU 6 -28.008 10.205 1.227 36 HB3 GLU 6 1HB GLU 6 -26.681 9.223 1.847 37 HG2 GLU 6 2HG GLU 6 -25.187 10.301 0.124 38 HG3 GLU 6 1HG GLU 6 -26.516 11.393 -0.259 39 H THR 7 H THR 7 -27.010 6.205 -0.445 40 HA THR 7 HA THR 7 -29.674 5.432 0.379 41 HB THR 7 HB THR 7 -28.697 3.094 0.052 42 HG1 THR 7 1HG THR 7 -26.671 2.935 -0.553 43 HG21 THR 7 3HG2 THR 7 -28.629 5.142 -2.180 44 HG22 THR 7 1HG2 THR 7 -30.002 4.144 -1.697 45 HG23 THR 7 2HG2 THR 7 -28.587 3.398 -2.442 46 H ASN 8 H ASN 8 -30.199 4.133 2.182 47 HA ASN 8 HA ASN 8 -28.314 4.409 4.441 48 HB2 ASN 8 2HB ASN 8 -30.339 4.048 5.863 49 HB3 ASN 8 1HB ASN 8 -30.426 5.495 4.863 50 HD21 ASN 8 1HD2 ASN 8 -32.062 5.584 3.223 51 HD22 ASN 8 2HD2 ASN 8 -33.233 4.358 3.025 52 H GLN 9 H GLN 9 -30.309 2.089 2.679 53 HA GLN 9 HA GLN 9 -29.352 -0.102 4.395 54 HB2 GLN 9 2HB GLN 9 -31.823 0.236 3.661 55 HB3 GLN 9 1HB GLN 9 -31.285 -0.418 2.114 56 HG2 GLN 9 2HG GLN 9 -30.575 -2.470 3.123 57 HG3 GLN 9 1HG GLN 9 -30.743 -1.806 4.747 58 HE21 GLN 9 1HE2 GLN 9 -32.673 -2.329 5.779 59 HE22 GLN 9 2HE2 GLN 9 -34.110 -2.790 4.982 60 H THR 10 H THR 10 -27.239 -0.410 3.728 61 HA THR 10 HA THR 10 -26.934 -1.738 1.149 62 HB THR 10 HB THR 10 -26.408 0.547 0.540 63 HG1 THR 10 1HG THR 10 -24.570 0.035 -0.391 64 HG21 THR 10 3HG2 THR 10 -24.143 0.694 2.491 65 HG22 THR 10 1HG2 THR 10 -25.768 1.053 3.074 66 HG23 THR 10 2HG2 THR 10 -25.076 1.999 1.758 67 HA PRO 11 HA PRO 11 -24.757 -3.961 4.586 68 HB2 PRO 11 2HB PRO 11 -24.947 -6.158 2.581 69 HB3 PRO 11 1HB PRO 11 -25.370 -6.161 4.303 70 HG2 PRO 11 2HG PRO 11 -27.247 -6.146 2.428 71 HG3 PRO 11 1HG PRO 11 -27.438 -5.231 3.935 72 HD2 PRO 11 2HD PRO 11 -26.738 -4.223 1.197 73 HD3 PRO 11 1HD PRO 11 -27.770 -3.481 2.442 74 H GLY 12 H GLY 12 -22.577 -4.295 4.819 75 HA2 GLY 12 2HA GLY 12 -20.347 -4.540 4.293 76 HA3 GLY 12 1HA GLY 12 -20.827 -4.985 2.660 77 HA PRO 13 HA PRO 13 -20.607 -0.295 2.107 78 HB2 PRO 13 2HB PRO 13 -20.835 1.453 4.169 79 HB3 PRO 13 1HB PRO 13 -22.251 0.695 3.409 80 HG2 PRO 13 2HG PRO 13 -20.868 -0.000 5.957 81 HG3 PRO 13 1HG PRO 13 -22.604 0.058 5.592 82 HD2 PRO 13 2HD PRO 13 -21.137 -2.276 5.649 83 HD3 PRO 13 1HD PRO 13 -22.620 -2.057 4.694 84 H MET 14 H MET 14 -18.360 -1.395 2.018 85 HA MET 14 HA MET 14 -16.379 -0.620 3.940 86 HB2 MET 14 2HB MET 14 -16.134 -1.729 1.132 87 HB3 MET 14 1HB MET 14 -14.770 -1.478 2.220 88 HG2 MET 14 2HG MET 14 -17.161 -3.100 3.079 89 HG3 MET 14 1HG MET 14 -15.849 -3.833 2.157 90 HE1 MET 14 3HE MET 14 -16.655 -4.924 4.951 91 HE2 MET 14 1HE MET 14 -17.288 -3.329 5.376 92 HE3 MET 14 2HE MET 14 -16.043 -4.079 6.370 93 H LEU 15 H LEU 15 -17.082 1.727 3.891 94 HA LEU 15 HA LEU 15 -16.320 3.265 1.560 95 HB2 LEU 15 2HB LEU 15 -17.414 3.916 4.275 96 HB3 LEU 15 1HB LEU 15 -16.675 5.195 3.311 97 HG LEU 15 HG LEU 15 -18.884 3.373 2.304 98 HD11 LEU 15 1HD1 LEU 15 -19.684 4.803 4.123 99 HD12 LEU 15 2HD1 LEU 15 -20.315 5.379 2.582 100 HD13 LEU 15 3HD1 LEU 15 -18.961 6.212 3.348 101 HD21 LEU 15 3HD2 LEU 15 -18.949 5.613 0.747 102 HD22 LEU 15 1HD2 LEU 15 -18.001 4.185 0.331 103 HD23 LEU 15 2HD2 LEU 15 -17.228 5.557 1.121 104 H CYS 16 H CYS 16 -14.512 4.471 1.246 105 HA CYS 16 HA CYS 16 -12.059 3.716 1.981 106 HB2 CYS 16 2HB CYS 16 -12.777 5.573 0.357 107 HB3 CYS 16 1HB CYS 16 -12.594 6.663 1.733 108 H SER 17 H SER 17 -10.606 3.859 3.556 109 HA SER 17 HA SER 17 -11.395 4.475 6.207 110 HB2 SER 17 2HB SER 17 -8.530 4.313 5.278 111 HB3 SER 17 1HB SER 17 -9.198 3.871 6.848 112 HG SER 17 HG SER 17 -10.361 2.204 5.752 113 H THR 18 H THR 18 -9.817 6.397 3.714 114 HA THR 18 HA THR 18 -8.989 8.470 5.555 115 HB THR 18 HB THR 18 -8.197 9.643 3.588 116 HG1 THR 18 1HG THR 18 -9.821 9.277 2.148 117 HG21 THR 18 3HG2 THR 18 -7.661 6.695 3.128 118 HG22 THR 18 1HG2 THR 18 -6.937 7.604 4.459 119 HG23 THR 18 2HG2 THR 18 -6.589 8.057 2.792 120 H GLY 19 H GLY 19 -12.000 7.662 4.199 121 HA2 GLY 19 2HA GLY 19 -14.010 8.766 4.270 122 HA3 GLY 19 1HA GLY 19 -13.193 10.078 5.118 123 H CYS 20 H CYS 20 -12.571 8.769 1.851 124 HA CYS 20 HA CYS 20 -12.591 11.468 0.803 125 HB2 CYS 20 2HB CYS 20 -11.856 10.470 -1.305 126 HB3 CYS 20 1HB CYS 20 -10.884 9.881 0.044 127 H GLY 21 H GLY 21 -15.066 9.234 1.315 128 HA2 GLY 21 2HA GLY 21 -17.327 9.603 0.816 129 HA3 GLY 21 1HA GLY 21 -16.843 10.742 -0.433 130 H PHE 22 H PHE 22 -14.980 8.010 -0.954 131 HA PHE 22 HA PHE 22 -16.903 6.979 -2.935 132 HB2 PHE 22 2HB PHE 22 -13.878 7.021 -2.917 133 HB3 PHE 22 1HB PHE 22 -14.846 6.146 -4.108 134 HD1 PHE 22 2HD PHE 22 -14.003 9.503 -2.773 135 HD2 PHE 22 1HD PHE 22 -16.033 7.303 -5.853 136 HE1 PHE 22 2HE PHE 22 -14.288 11.592 -4.082 137 HE2 PHE 22 1HE PHE 22 -16.319 9.390 -7.157 138 HZ PHE 22 HZ PHE 22 -15.448 11.533 -6.272 139 H TYR 23 H TYR 23 -16.208 4.656 -3.598 140 HA TYR 23 HA TYR 23 -16.553 3.038 -1.216 141 HB2 TYR 23 2HB TYR 23 -17.731 2.743 -3.511 142 HB3 TYR 23 1HB TYR 23 -16.250 1.899 -3.971 143 HD1 TYR 23 1HD TYR 23 -18.394 2.016 -0.850 144 HD2 TYR 23 2HD TYR 23 -16.434 -0.392 -3.832 145 HE1 TYR 23 1HE TYR 23 -19.159 -0.046 0.302 146 HE2 TYR 23 2HE TYR 23 -17.197 -2.442 -2.674 147 HH TYR 23 HH TYR 23 -19.360 -2.906 -0.993 148 H GLY 24 H GLY 24 -15.270 1.430 -0.444 149 HA2 GLY 24 2HA GLY 24 -12.469 1.373 -1.444 150 HA3 GLY 24 1HA GLY 24 -12.919 1.159 0.256 151 H ASN 25 H ASN 25 -11.376 -0.715 -1.209 152 HA ASN 25 HA ASN 25 -13.249 -2.973 -1.608 153 HB2 ASN 25 2HB ASN 25 -11.397 -2.241 -3.354 154 HB3 ASN 25 1HB ASN 25 -10.344 -3.182 -2.307 155 HD21 ASN 25 1HD2 ASN 25 -13.504 -3.467 -4.038 156 HD22 ASN 25 2HD2 ASN 25 -13.344 -5.139 -4.344 157 HA PRO 26 HA PRO 26 -11.651 -4.571 2.230 158 HB2 PRO 26 2HB PRO 26 -12.579 -7.149 2.088 159 HB3 PRO 26 1HB PRO 26 -13.558 -5.744 2.534 160 HG2 PRO 26 2HG PRO 26 -13.513 -7.282 0.027 161 HG3 PRO 26 1HG PRO 26 -14.821 -6.339 0.755 162 HD2 PRO 26 2HD PRO 26 -13.190 -5.528 -1.398 163 HD3 PRO 26 1HD PRO 26 -14.283 -4.493 -0.459 164 H ARG 27 H ARG 27 -10.862 -6.067 -0.847 165 HA ARG 27 HA ARG 27 -8.852 -7.857 0.189 166 HB2 ARG 27 2HB ARG 27 -9.433 -6.826 -2.598 167 HB3 ARG 27 1HB ARG 27 -8.170 -7.997 -2.231 168 HG2 ARG 27 2HG ARG 27 -9.840 -9.542 -1.302 169 HG3 ARG 27 1HG ARG 27 -11.115 -8.362 -1.606 170 HD2 ARG 27 2HD ARG 27 -10.329 -8.418 -4.060 171 HD3 ARG 27 1HD ARG 27 -9.455 -9.879 -3.619 172 HE ARG 27 HE ARG 27 -12.312 -9.610 -3.955 173 HH11 ARG 27 1HH2 ARG 27 -9.779 -11.489 -2.394 174 HH12 ARG 27 2HH2 ARG 27 -10.784 -12.886 -2.223 175 HH21 ARG 27 1HH1 ARG 27 -13.553 -11.465 -3.720 176 HH22 ARG 27 2HH1 ARG 27 -12.889 -12.875 -2.961 177 H THR 28 H THR 28 -9.019 -4.532 -0.853 178 HA THR 28 HA THR 28 -6.124 -4.192 -1.022 179 HB THR 28 HB THR 28 -6.662 -1.834 -1.482 180 HG1 THR 28 1HG THR 28 -8.553 -1.030 -1.024 181 HG21 THR 28 3HG2 THR 28 -8.187 -2.211 -3.468 182 HG22 THR 28 1HG2 THR 28 -8.348 -3.880 -2.924 183 HG23 THR 28 2HG2 THR 28 -6.769 -3.253 -3.393 184 H ASN 29 H ASN 29 -6.233 -1.550 0.383 185 HA ASN 29 HA ASN 29 -5.903 -2.575 3.102 186 HB2 ASN 29 2HB ASN 29 -4.957 -0.126 1.654 187 HB3 ASN 29 1HB ASN 29 -4.993 -0.142 3.422 188 HD21 ASN 29 1HD2 ASN 29 -2.744 -0.385 3.874 189 HD22 ASN 29 2HD2 ASN 29 -1.824 -1.711 3.313 190 H GLY 30 H GLY 30 -8.628 -2.130 1.918 191 HA2 GLY 30 2HA GLY 30 -10.647 -1.465 2.816 192 HA3 GLY 30 1HA GLY 30 -9.763 -0.715 4.146 193 H MET 31 H MET 31 -8.641 0.230 1.016 194 HA MET 31 HA MET 31 -10.195 2.744 1.180 195 HB2 MET 31 2HB MET 31 -7.284 2.331 0.472 196 HB3 MET 31 1HB MET 31 -8.153 3.854 0.263 197 HG2 MET 31 2HG MET 31 -8.659 3.920 2.663 198 HG3 MET 31 1HG MET 31 -7.838 2.375 2.894 199 HE1 MET 31 3HE MET 31 -5.552 4.499 4.730 200 HE2 MET 31 1HE MET 31 -5.174 2.864 4.170 201 HE3 MET 31 2HE MET 31 -6.820 3.279 4.643 202 H CYS 32 H CYS 32 -10.112 3.975 -0.910 203 HA CYS 32 HA CYS 32 -11.058 2.259 -3.014 204 HB2 CYS 32 2HB CYS 32 -11.753 4.298 -4.116 205 HB3 CYS 32 1HB CYS 32 -12.162 4.404 -2.408 206 H SER 33 H SER 33 -10.272 3.601 -5.345 207 HA SER 33 HA SER 33 -7.690 2.414 -5.764 208 HB2 SER 33 2HB SER 33 -9.805 2.871 -7.385 209 HB3 SER 33 1HB SER 33 -8.771 4.220 -7.851 210 HG SER 33 HG SER 33 -8.556 1.848 -8.744 211 H VAL 34 H VAL 34 -8.835 5.800 -5.636 212 HA VAL 34 HA VAL 34 -6.373 6.963 -6.427 213 HB VAL 34 HB VAL 34 -8.512 8.278 -4.732 214 HG11 VAL 34 1HG1 VAL 34 -6.454 9.329 -6.703 215 HG12 VAL 34 2HG1 VAL 34 -6.487 9.607 -4.961 216 HG13 VAL 34 3HG1 VAL 34 -7.738 10.307 -5.988 217 HG21 VAL 34 3HG2 VAL 34 -9.396 9.046 -7.011 218 HG22 VAL 34 1HG2 VAL 34 -9.695 7.356 -6.609 219 HG23 VAL 34 2HG2 VAL 34 -8.396 7.781 -7.724 220 H CYS 35 H CYS 35 -7.812 6.549 -3.196 221 HA CYS 35 HA CYS 35 -5.628 7.720 -1.799 222 HB2 CYS 35 2HB CYS 35 -7.775 5.871 -0.733 223 HB3 CYS 35 1HB CYS 35 -6.726 6.915 0.227 224 H TYR 36 H TYR 36 -6.444 4.400 -2.675 225 HA TYR 36 HA TYR 36 -4.609 3.107 -0.950 226 HB2 TYR 36 2HB TYR 36 -6.469 1.916 -1.981 227 HB3 TYR 36 1HB TYR 36 -5.775 2.167 -3.583 228 HD1 TYR 36 1HD TYR 36 -4.655 0.881 -0.221 229 HD2 TYR 36 2HD TYR 36 -4.646 0.361 -4.483 230 HE1 TYR 36 1HE TYR 36 -3.340 -1.206 0.031 231 HE2 TYR 36 2HE TYR 36 -3.330 -1.723 -4.230 232 HH TYR 36 HH TYR 36 -1.666 -2.631 -2.353 233 H LYS 37 H LYS 37 -4.133 4.713 -4.052 234 HA LYS 37 HA LYS 37 -1.613 3.445 -4.604 235 HB2 LYS 37 2HB LYS 37 -3.264 4.601 -6.257 236 HB3 LYS 37 1HB LYS 37 -2.489 6.098 -5.732 237 HG2 LYS 37 2HG LYS 37 -0.287 5.169 -6.343 238 HG3 LYS 37 1HG LYS 37 -1.063 3.686 -6.896 239 HD2 LYS 37 2HD LYS 37 -2.083 4.756 -8.728 240 HD3 LYS 37 1HD LYS 37 -1.913 6.355 -8.005 241 HE2 LYS 37 2HE LYS 37 0.543 6.211 -8.279 242 HE3 LYS 37 1HE LYS 37 0.358 4.626 -9.029 243 HZ1 LYS 37 3HZ LYS 37 -1.052 5.696 -10.726 244 HZ2 LYS 37 1HZ LYS 37 0.542 6.274 -10.729 245 HZ3 LYS 37 2HZ LYS 37 -0.697 7.210 -10.041 246 H GLU 38 H GLU 38 -2.721 6.502 -3.189 247 HA GLU 38 HA GLU 38 -0.159 7.667 -2.832 248 HB2 GLU 38 2HB GLU 38 -2.809 8.145 -1.454 249 HB3 GLU 38 1HB GLU 38 -1.372 9.125 -1.166 250 HG2 GLU 38 2HG GLU 38 -2.469 8.655 -3.940 251 HG3 GLU 38 1HG GLU 38 -3.014 9.996 -2.927 252 H HIS 39 H HIS 39 -2.266 5.817 -0.608 253 HA HIS 39 HA HIS 39 -0.737 6.020 1.719 254 HB2 HIS 39 2HB HIS 39 -3.082 5.022 1.324 255 HB3 HIS 39 1HB HIS 39 -2.238 3.526 0.926 256 HD1 HIS 39 1HD HIS 39 -2.244 6.077 3.778 257 HD2 HIS 39 2HD HIS 39 -1.819 1.976 3.154 258 HE1 HIS 39 1HE HIS 39 -2.140 5.010 6.071 259 HE2 HIS 39 2HE HIS 39 -1.842 2.514 5.710 260 H LEU 40 H LEU 40 -0.566 3.550 -0.843 261 HA LEU 40 HA LEU 40 1.412 1.949 0.368 262 HB2 LEU 40 2HB LEU 40 0.092 2.121 -2.237 263 HB3 LEU 40 1HB LEU 40 1.770 1.593 -2.378 264 HG LEU 40 HG LEU 40 1.263 -0.072 -0.512 265 HD11 LEU 40 1HD1 LEU 40 -1.082 -0.613 -0.117 266 HD12 LEU 40 2HD1 LEU 40 -1.590 0.633 -1.258 267 HD13 LEU 40 3HD1 LEU 40 -0.810 1.089 0.256 268 HD21 LEU 40 3HD2 LEU 40 0.176 -1.658 -2.064 269 HD22 LEU 40 1HD2 LEU 40 1.421 -0.721 -2.889 270 HD23 LEU 40 2HD2 LEU 40 -0.282 -0.318 -3.116 271 H GLN 41 H GLN 41 1.710 4.909 -1.510 272 HA GLN 41 HA GLN 41 4.463 4.648 -2.167 273 HB2 GLN 41 2HB GLN 41 2.749 6.299 -3.130 274 HB3 GLN 41 1HB GLN 41 3.058 7.273 -1.693 275 HG2 GLN 41 2HG GLN 41 4.611 8.132 -3.230 276 HG3 GLN 41 1HG GLN 41 5.574 6.964 -2.320 277 HE21 GLN 41 1HE2 GLN 41 4.252 7.719 -5.466 278 HE22 GLN 41 2HE2 GLN 41 4.889 6.362 -6.276 279 H ARG 42 H ARG 42 2.769 5.796 0.698 280 HA ARG 42 HA ARG 42 5.159 6.898 1.914 281 HB2 ARG 42 2HB ARG 42 2.299 6.562 2.782 282 HB3 ARG 42 1HB ARG 42 3.552 7.059 3.924 283 HG2 ARG 42 2HG ARG 42 3.259 8.459 1.273 284 HG3 ARG 42 1HG ARG 42 2.249 8.916 2.645 285 HD2 ARG 42 2HD ARG 42 4.136 9.504 3.972 286 HD3 ARG 42 1HD ARG 42 5.251 8.705 2.869 287 HE ARG 42 HE ARG 42 3.945 10.714 1.420 288 HH11 ARG 42 1HH2 ARG 42 6.144 10.491 4.160 289 HH12 ARG 42 2HH2 ARG 42 6.881 12.019 3.821 290 HH21 ARG 42 1HH1 ARG 42 4.953 12.680 1.027 291 HH22 ARG 42 2HH1 ARG 42 6.222 13.238 2.065 292 H GLN 43 H GLN 43 3.265 3.939 2.116 293 HA GLN 43 HA GLN 43 4.649 2.943 4.450 294 HB2 GLN 43 2HB GLN 43 2.707 1.709 2.497 295 HB3 GLN 43 1HB GLN 43 3.440 0.796 3.816 296 HG2 GLN 43 2HG GLN 43 2.058 3.426 4.327 297 HG3 GLN 43 1HG GLN 43 1.147 1.920 4.260 298 HE21 GLN 43 1HE2 GLN 43 1.969 0.141 5.797 299 HE22 GLN 43 2HE2 GLN 43 2.616 0.633 7.289 300 H GLN 44 H GLN 44 5.065 2.753 0.979 301 HA GLN 44 HA GLN 44 6.839 0.485 1.024 302 HB2 GLN 44 2HB GLN 44 5.397 1.227 -0.936 303 HB3 GLN 44 1HB GLN 44 6.570 2.518 -1.188 304 HG2 GLN 44 2HG GLN 44 8.306 1.012 -1.699 305 HG3 GLN 44 1HG GLN 44 7.470 -0.347 -0.945 306 HE21 GLN 44 1HE2 GLN 44 6.437 2.066 -3.425 307 HE22 GLN 44 2HE2 GLN 44 5.943 0.893 -4.559 308 H ASN 45 H ASN 45 7.262 4.016 0.810 309 HA ASN 45 HA ASN 45 10.082 3.964 0.436 310 HB2 ASN 45 2HB ASN 45 8.063 6.030 1.197 311 HB3 ASN 45 1HB ASN 45 9.756 6.384 1.531 312 HD21 ASN 45 1HD2 ASN 45 7.402 5.848 -1.056 313 HD22 ASN 45 2HD2 ASN 45 8.427 6.341 -2.328 314 H SER 46 H SER 46 8.046 4.174 3.342 315 HA SER 46 HA SER 46 10.245 4.480 5.160 316 HB2 SER 46 2HB SER 46 7.429 3.515 5.707 317 HB3 SER 46 1HB SER 46 8.592 4.067 6.909 318 HG SER 46 HG SER 46 8.290 6.084 6.287 319 H GLY 47 H GLY 47 7.967 1.750 4.749 320 HA2 GLY 47 2HA GLY 47 8.504 -0.522 4.495 321 HA3 GLY 47 1HA GLY 47 10.183 -0.147 4.863 322 H ARG 48 H ARG 48 10.225 0.984 7.260 323 HA ARG 48 HA ARG 48 8.648 -0.732 9.078 324 HB2 ARG 48 2HB ARG 48 11.032 -1.580 8.603 325 HB3 ARG 48 1HB ARG 48 11.573 -0.189 9.543 326 HG2 ARG 48 2HG ARG 48 10.325 -0.931 11.479 327 HG3 ARG 48 1HG ARG 48 9.560 -2.219 10.549 328 HD2 ARG 48 2HD ARG 48 12.549 -2.005 10.978 329 HD3 ARG 48 1HD ARG 48 11.487 -2.987 11.983 330 HE ARG 48 HE ARG 48 11.220 -3.552 9.165 331 HH11 ARG 48 1HH2 ARG 48 13.092 -4.295 12.052 332 HH12 ARG 48 2HH2 ARG 48 13.607 -5.830 11.443 333 HH21 ARG 48 1HH1 ARG 48 11.922 -5.555 8.436 334 HH22 ARG 48 2HH1 ARG 48 12.956 -6.535 9.422 335 H MET 49 H MET 49 11.103 1.877 9.149 336 HA MET 49 HA MET 49 10.063 3.013 11.559 337 HB2 MET 49 2HB MET 49 12.109 3.847 9.527 338 HB3 MET 49 1HB MET 49 11.563 4.998 10.747 339 HG2 MET 49 2HG MET 49 12.480 2.222 11.502 340 HG3 MET 49 1HG MET 49 13.624 3.553 11.328 341 HE1 MET 49 3HE MET 49 13.733 3.858 15.014 342 HE2 MET 49 1HE MET 49 14.487 4.391 13.506 343 HE3 MET 49 2HE MET 49 14.160 2.681 13.776 344 H SER 50 H SER 50 8.072 3.854 11.595 345 HA SER 50 HA SER 50 7.099 5.419 9.305 346 HB2 SER 50 2HB SER 50 5.684 4.393 11.776 347 HB3 SER 50 1HB SER 50 4.915 5.308 10.483 348 HG SER 50 HG SER 50 4.962 3.590 9.250 349 HA PRO 51 HA PRO 51 7.697 9.228 11.501 350 HB2 PRO 51 2HB PRO 51 5.754 10.827 10.488 351 HB3 PRO 51 1HB PRO 51 7.132 10.276 9.515 352 HG2 PRO 51 2HG PRO 51 4.330 9.279 9.563 353 HG3 PRO 51 1HG PRO 51 5.431 9.495 8.192 354 HD2 PRO 51 2HD PRO 51 4.934 7.058 9.412 355 HD3 PRO 51 1HD PRO 51 6.401 7.430 8.482 356 H MET 52 H MET 52 6.234 11.075 12.628 357 HA MET 52 HA MET 52 4.742 9.688 14.719 358 HB2 MET 52 2HB MET 52 5.739 12.521 14.397 359 HB3 MET 52 1HB MET 52 4.712 12.017 15.742 360 HG2 MET 52 2HG MET 52 6.355 10.327 16.403 361 HG3 MET 52 1HG MET 52 7.367 10.742 15.021 362 HE1 MET 52 3HE MET 52 9.520 12.331 15.511 363 HE2 MET 52 1HE MET 52 8.924 13.992 15.638 364 HE3 MET 52 2HE MET 52 8.201 12.880 14.480 365 H GLY 53 H GLY 53 4.186 12.699 12.870 366 HA2 GLY 53 2HA GLY 53 2.003 12.476 11.478 367 HA3 GLY 53 1HA GLY 53 1.282 12.241 13.067 368 H THR 54 H THR 54 2.227 14.013 14.706 369 HA THR 54 HA THR 54 1.220 16.522 13.762 370 HB THR 54 HB THR 54 0.883 15.906 16.084 371 HG1 THR 54 1HG THR 54 1.268 17.866 16.795 372 HG21 THR 54 3HG2 THR 54 3.039 16.037 17.569 373 HG22 THR 54 1HG2 THR 54 3.876 15.641 16.068 374 HG23 THR 54 2HG2 THR 54 2.667 14.536 16.720 375 H ALA 55 H ALA 55 2.528 18.585 14.204 376 HA ALA 55 HA ALA 55 5.079 18.324 12.780 377 HB1 ALA 55 1HB ALA 55 3.349 20.715 13.441 378 HB2 ALA 55 2HB ALA 55 3.559 19.956 11.864 379 HB3 ALA 55 3HB ALA 55 4.901 20.820 12.612 380 H SER 56 H SER 56 6.822 19.921 13.497 381 HA SER 56 HA SER 56 6.915 20.337 16.397 382 HB2 SER 56 2HB SER 56 9.278 19.347 16.359 383 HB3 SER 56 1HB SER 56 7.937 18.206 16.312 384 HG SER 56 HG SER 56 9.298 17.608 14.694 385 H GLY 57 H GLY 57 8.940 20.505 13.450 386 HA2 GLY 57 2HA GLY 57 9.770 22.452 12.427 387 HA3 GLY 57 1HA GLY 57 9.287 23.381 13.844 388 H SER 58 H SER 58 11.388 20.527 13.348 389 HA SER 58 HA SER 58 13.688 22.037 14.354 390 HB2 SER 58 2HB SER 58 12.878 19.402 15.594 391 HB3 SER 58 1HB SER 58 14.214 20.443 16.077 392 HG SER 58 HG SER 58 11.439 20.801 16.385 393 H ASN 59 H ASN 59 12.651 18.714 13.514 394 HA ASN 59 HA ASN 59 15.185 18.300 12.093 395 HB2 ASN 59 2HB ASN 59 14.444 15.930 11.966 396 HB3 ASN 59 1HB ASN 59 14.526 16.530 13.618 397 HD21 ASN 59 1HD2 ASN 59 12.268 15.643 11.011 398 HD22 ASN 59 2HD2 ASN 59 10.903 15.522 12.011 399 H SER 60 H SER 60 15.309 17.753 9.912 400 HA SER 60 HA SER 60 13.126 18.766 8.271 401 HB2 SER 60 2HB SER 60 15.939 17.857 7.673 402 HB3 SER 60 1HB SER 60 14.791 18.270 6.403 403 HG SER 60 HG SER 60 15.825 20.140 6.871 404 HA PRO 61 HA PRO 61 11.613 14.721 7.226 405 HB2 PRO 61 2HB PRO 61 10.337 15.190 4.885 406 HB3 PRO 61 1HB PRO 61 9.751 15.848 6.425 407 HG2 PRO 61 2HG PRO 61 11.251 17.193 4.241 408 HG3 PRO 61 1HG PRO 61 9.949 17.813 5.268 409 HD2 PRO 61 2HD PRO 61 12.655 18.341 5.656 410 HD3 PRO 61 1HD PRO 61 11.404 18.486 6.909 411 H THR 62 H THR 62 13.342 13.357 6.828 412 HA THR 62 HA THR 62 14.993 13.558 4.484 413 HB THR 62 HB THR 62 14.739 11.139 6.270 414 HG1 THR 62 1HG THR 62 16.248 13.508 6.676 415 HG21 THR 62 3HG2 THR 62 17.032 10.767 5.641 416 HG22 THR 62 1HG2 THR 62 17.132 12.345 4.862 417 HG23 THR 62 2HG2 THR 62 16.127 11.078 4.160 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -40.268 -8.757 -5.594 2 H2 GLY 1 2HT GLY 1 -40.303 -8.920 -7.284 3 H3 GLY 1 3HT GLY 1 -41.048 -7.586 -6.540 4 HA2 GLY 1 2HA GLY 1 -38.152 -8.158 -6.781 5 HA3 GLY 1 1HA GLY 1 -39.038 -6.768 -7.409 6 H SER 2 H SER 2 -37.675 -8.269 -4.553 7 HA SER 2 HA SER 2 -38.252 -5.825 -2.979 8 HB2 SER 2 2HB SER 2 -37.575 -8.615 -2.015 9 HB3 SER 2 1HB SER 2 -37.930 -7.227 -0.991 10 HG SER 2 HG SER 2 -39.632 -8.924 -2.037 11 H MET 3 H MET 3 -36.069 -6.097 -4.926 12 HA MET 3 HA MET 3 -33.605 -6.599 -3.578 13 HB2 MET 3 2HB MET 3 -34.308 -5.144 -6.126 14 HB3 MET 3 1HB MET 3 -32.648 -5.273 -5.544 15 HG2 MET 3 2HG MET 3 -32.755 -7.698 -5.604 16 HG3 MET 3 1HG MET 3 -34.470 -7.650 -6.012 17 HE1 MET 3 3HE MET 3 -34.136 -9.083 -8.572 18 HE2 MET 3 1HE MET 3 -32.893 -9.360 -7.343 19 HE3 MET 3 2HE MET 3 -32.430 -9.039 -9.012 20 H ALA 4 H ALA 4 -35.169 -3.542 -4.588 21 HA ALA 4 HA ALA 4 -33.464 -2.087 -2.668 22 HB1 ALA 4 1HB ALA 4 -33.393 -1.271 -4.972 23 HB2 ALA 4 2HB ALA 4 -34.153 -0.071 -3.926 24 HB3 ALA 4 3HB ALA 4 -35.146 -1.081 -4.979 25 H GLN 5 H GLN 5 -35.761 -3.685 -1.810 26 HA GLN 5 HA GLN 5 -37.535 -1.546 -0.777 27 HB2 GLN 5 2HB GLN 5 -38.084 -4.431 -1.486 28 HB3 GLN 5 1HB GLN 5 -39.157 -3.508 -0.434 29 HG2 GLN 5 2HG GLN 5 -39.245 -1.747 -2.268 30 HG3 GLN 5 1HG GLN 5 -38.433 -2.914 -3.310 31 HE21 GLN 5 1HE2 GLN 5 -41.363 -1.767 -3.139 32 HE22 GLN 5 2HE2 GLN 5 -42.320 -3.174 -3.261 33 H GLU 6 H GLU 6 -34.958 -2.367 0.371 34 HA GLU 6 HA GLU 6 -35.850 -3.676 2.871 35 HB2 GLU 6 2HB GLU 6 -33.439 -4.161 3.246 36 HB3 GLU 6 1HB GLU 6 -34.063 -4.898 1.773 37 HG2 GLU 6 2HG GLU 6 -33.032 -3.236 0.390 38 HG3 GLU 6 1HG GLU 6 -32.665 -2.216 1.781 39 H THR 7 H THR 7 -34.179 -2.965 4.727 40 HA THR 7 HA THR 7 -34.810 -0.220 5.280 41 HB THR 7 HB THR 7 -33.460 -0.645 7.363 42 HG1 THR 7 1HG THR 7 -32.035 -2.163 6.934 43 HG21 THR 7 3HG2 THR 7 -35.497 -2.793 6.721 44 HG22 THR 7 1HG2 THR 7 -35.912 -1.138 7.165 45 HG23 THR 7 2HG2 THR 7 -35.079 -2.179 8.320 46 H ASN 8 H ASN 8 -33.089 1.322 6.053 47 HA ASN 8 HA ASN 8 -30.803 1.265 4.173 48 HB2 ASN 8 2HB ASN 8 -32.464 3.455 5.356 49 HB3 ASN 8 1HB ASN 8 -30.793 3.804 4.918 50 HD21 ASN 8 1HD2 ASN 8 -30.903 4.875 2.941 51 HD22 ASN 8 2HD2 ASN 8 -31.804 4.332 1.597 52 H GLN 9 H GLN 9 -30.894 -0.109 6.815 53 HA GLN 9 HA GLN 9 -28.477 1.125 7.949 54 HB2 GLN 9 2HB GLN 9 -29.348 0.518 10.251 55 HB3 GLN 9 1HB GLN 9 -30.157 1.879 9.478 56 HG2 GLN 9 2HG GLN 9 -32.130 0.725 9.187 57 HG3 GLN 9 1HG GLN 9 -31.319 -0.825 8.978 58 HE21 GLN 9 1HE2 GLN 9 -31.153 -2.180 10.803 59 HE22 GLN 9 2HE2 GLN 9 -31.635 -1.720 12.372 60 H THR 10 H THR 10 -27.544 -0.589 6.620 61 HA THR 10 HA THR 10 -27.156 -3.012 8.174 62 HB THR 10 HB THR 10 -27.508 -4.383 5.996 63 HG1 THR 10 1HG THR 10 -28.107 -3.138 4.424 64 HG21 THR 10 3HG2 THR 10 -29.711 -4.926 6.682 65 HG22 THR 10 1HG2 THR 10 -30.020 -3.286 7.255 66 HG23 THR 10 2HG2 THR 10 -28.923 -4.338 8.147 67 HA PRO 11 HA PRO 11 -23.123 -2.368 6.460 68 HB2 PRO 11 2HB PRO 11 -21.984 -4.822 6.711 69 HB3 PRO 11 1HB PRO 11 -22.353 -3.793 8.115 70 HG2 PRO 11 2HG PRO 11 -23.874 -6.111 7.019 71 HG3 PRO 11 1HG PRO 11 -23.512 -5.692 8.704 72 HD2 PRO 11 2HD PRO 11 -25.930 -5.158 7.528 73 HD3 PRO 11 1HD PRO 11 -25.253 -4.173 8.844 74 H GLY 12 H GLY 12 -21.588 -3.159 4.731 75 HA2 GLY 12 2HA GLY 12 -21.670 -4.953 2.826 76 HA3 GLY 12 1HA GLY 12 -23.126 -4.059 2.389 77 HA PRO 13 HA PRO 13 -20.649 -0.985 0.396 78 HB2 PRO 13 2HB PRO 13 -21.406 1.463 1.270 79 HB3 PRO 13 1HB PRO 13 -22.488 0.402 0.341 80 HG2 PRO 13 2HG PRO 13 -22.444 0.979 3.251 81 HG3 PRO 13 1HG PRO 13 -23.815 0.689 2.170 82 HD2 PRO 13 2HD PRO 13 -22.712 -1.207 3.898 83 HD3 PRO 13 1HD PRO 13 -23.743 -1.572 2.495 84 H MET 14 H MET 14 -18.521 -1.459 1.081 85 HA MET 14 HA MET 14 -17.399 -0.379 3.485 86 HB2 MET 14 2HB MET 14 -16.351 -1.878 1.114 87 HB3 MET 14 1HB MET 14 -15.203 -1.034 2.152 88 HG2 MET 14 2HG MET 14 -15.285 -3.057 3.271 89 HG3 MET 14 1HG MET 14 -16.606 -2.224 4.086 90 HE1 MET 14 3HE MET 14 -17.869 -5.802 3.974 91 HE2 MET 14 1HE MET 14 -16.794 -4.645 4.768 92 HE3 MET 14 2HE MET 14 -16.167 -5.717 3.522 93 H LEU 15 H LEU 15 -17.594 1.831 3.546 94 HA LEU 15 HA LEU 15 -16.810 3.509 1.324 95 HB2 LEU 15 2HB LEU 15 -18.050 3.839 3.975 96 HB3 LEU 15 1HB LEU 15 -16.951 5.150 3.565 97 HG LEU 15 HG LEU 15 -19.261 5.630 2.850 98 HD11 LEU 15 1HD1 LEU 15 -18.723 6.508 0.741 99 HD12 LEU 15 2HD1 LEU 15 -17.679 5.147 0.356 100 HD13 LEU 15 3HD1 LEU 15 -17.158 6.348 1.539 101 HD21 LEU 15 3HD2 LEU 15 -20.315 4.366 1.044 102 HD22 LEU 15 1HD2 LEU 15 -19.998 3.312 2.420 103 HD23 LEU 15 2HD2 LEU 15 -18.947 3.260 1.000 104 H CYS 16 H CYS 16 -14.925 4.701 1.106 105 HA CYS 16 HA CYS 16 -12.511 3.668 1.965 106 HB2 CYS 16 2HB CYS 16 -12.983 5.412 0.136 107 HB3 CYS 16 1HB CYS 16 -12.845 6.612 1.425 108 H SER 17 H SER 17 -11.545 3.539 3.848 109 HA SER 17 HA SER 17 -12.459 4.695 6.237 110 HB2 SER 17 2HB SER 17 -9.823 3.436 5.500 111 HB3 SER 17 1HB SER 17 -10.186 3.996 7.135 112 HG SER 17 HG SER 17 -10.756 1.693 6.273 113 H THR 18 H THR 18 -10.255 5.994 3.837 114 HA THR 18 HA THR 18 -9.023 7.909 5.575 115 HB THR 18 HB THR 18 -8.222 8.974 3.475 116 HG1 THR 18 1HG THR 18 -9.692 8.657 1.970 117 HG21 THR 18 3HG2 THR 18 -6.769 7.299 4.247 118 HG22 THR 18 1HG2 THR 18 -7.101 6.782 2.594 119 HG23 THR 18 2HG2 THR 18 -7.937 6.012 3.939 120 H GLY 19 H GLY 19 -12.121 7.824 4.016 121 HA2 GLY 19 2HA GLY 19 -13.882 9.300 4.410 122 HA3 GLY 19 1HA GLY 19 -12.744 10.431 5.134 123 H CYS 20 H CYS 20 -12.571 8.947 1.911 124 HA CYS 20 HA CYS 20 -12.401 11.629 0.751 125 HB2 CYS 20 2HB CYS 20 -11.678 10.533 -1.312 126 HB3 CYS 20 1HB CYS 20 -10.708 9.993 0.058 127 H GLY 21 H GLY 21 -14.748 9.100 1.115 128 HA2 GLY 21 2HA GLY 21 -17.058 9.410 0.740 129 HA3 GLY 21 1HA GLY 21 -16.684 10.683 -0.412 130 H PHE 22 H PHE 22 -14.729 8.026 -1.092 131 HA PHE 22 HA PHE 22 -16.484 7.208 -3.284 132 HB2 PHE 22 2HB PHE 22 -13.499 7.153 -2.865 133 HB3 PHE 22 1HB PHE 22 -14.269 6.194 -4.134 134 HD1 PHE 22 2HD PHE 22 -14.363 9.676 -2.735 135 HD2 PHE 22 1HD PHE 22 -14.565 7.175 -6.223 136 HE1 PHE 22 2HE PHE 22 -14.534 11.691 -4.168 137 HE2 PHE 22 1HE PHE 22 -14.745 9.191 -7.656 138 HZ PHE 22 HZ PHE 22 -14.728 11.447 -6.628 139 H TYR 23 H TYR 23 -15.713 4.827 -3.993 140 HA TYR 23 HA TYR 23 -16.533 3.123 -1.763 141 HB2 TYR 23 2HB TYR 23 -17.499 3.037 -4.157 142 HB3 TYR 23 1HB TYR 23 -16.010 2.182 -4.576 143 HD1 TYR 23 1HD TYR 23 -18.440 2.136 -1.704 144 HD2 TYR 23 2HD TYR 23 -16.227 -0.133 -4.604 145 HE1 TYR 23 1HE TYR 23 -19.368 0.049 -0.767 146 HE2 TYR 23 2HE TYR 23 -17.165 -2.233 -3.670 147 HH TYR 23 HH TYR 23 -19.328 -2.846 -2.339 148 H GLY 24 H GLY 24 -15.287 1.685 -0.723 149 HA2 GLY 24 2HA GLY 24 -12.439 1.507 -1.552 150 HA3 GLY 24 1HA GLY 24 -13.026 1.316 0.097 151 H ASN 25 H ASN 25 -11.318 -0.567 -1.003 152 HA ASN 25 HA ASN 25 -13.070 -2.886 -1.568 153 HB2 ASN 25 2HB ASN 25 -11.170 -2.046 -3.215 154 HB3 ASN 25 1HB ASN 25 -10.131 -2.949 -2.121 155 HD21 ASN 25 1HD2 ASN 25 -12.779 -3.265 -4.461 156 HD22 ASN 25 2HD2 ASN 25 -12.685 -4.966 -4.579 157 HA PRO 26 HA PRO 26 -11.552 -4.409 2.387 158 HB2 PRO 26 2HB PRO 26 -12.634 -6.879 2.383 159 HB3 PRO 26 1HB PRO 26 -13.622 -5.416 2.567 160 HG2 PRO 26 2HG PRO 26 -13.158 -7.083 0.139 161 HG3 PRO 26 1HG PRO 26 -14.669 -6.382 0.753 162 HD2 PRO 26 2HD PRO 26 -13.201 -5.239 -1.267 163 HD3 PRO 26 1HD PRO 26 -14.239 -4.307 -0.167 164 H ARG 27 H ARG 27 -10.957 -6.085 -0.669 165 HA ARG 27 HA ARG 27 -9.028 -7.944 0.362 166 HB2 ARG 27 2HB ARG 27 -9.796 -6.997 -2.387 167 HB3 ARG 27 1HB ARG 27 -8.332 -7.947 -2.159 168 HG2 ARG 27 2HG ARG 27 -9.499 -9.844 -1.479 169 HG3 ARG 27 1HG ARG 27 -10.890 -8.913 -0.919 170 HD2 ARG 27 2HD ARG 27 -11.356 -8.326 -3.332 171 HD3 ARG 27 1HD ARG 27 -10.099 -9.473 -3.789 172 HE ARG 27 HE ARG 27 -12.763 -10.103 -2.883 173 HH11 ARG 27 1HH2 ARG 27 -9.463 -11.308 -3.068 174 HH12 ARG 27 2HH2 ARG 27 -9.954 -12.963 -2.979 175 HH21 ARG 27 1HH1 ARG 27 -13.338 -12.264 -2.768 176 HH22 ARG 27 2HH1 ARG 27 -12.127 -13.500 -2.807 177 H THR 28 H THR 28 -8.995 -4.656 -0.873 178 HA THR 28 HA THR 28 -6.100 -4.453 -0.957 179 HB THR 28 HB THR 28 -6.484 -2.101 -1.484 180 HG1 THR 28 1HG THR 28 -8.097 -1.271 -0.442 181 HG21 THR 28 3HG2 THR 28 -6.819 -3.585 -3.356 182 HG22 THR 28 1HG2 THR 28 -8.068 -2.343 -3.422 183 HG23 THR 28 2HG2 THR 28 -8.460 -3.956 -2.829 184 H ASN 29 H ASN 29 -6.006 -1.805 0.431 185 HA ASN 29 HA ASN 29 -5.874 -2.828 3.164 186 HB2 ASN 29 2HB ASN 29 -4.651 -0.538 1.679 187 HB3 ASN 29 1HB ASN 29 -4.810 -0.408 3.433 188 HD21 ASN 29 1HD2 ASN 29 -3.931 -3.114 1.189 189 HD22 ASN 29 2HD2 ASN 29 -2.523 -3.551 2.048 190 H GLY 30 H GLY 30 -8.524 -2.153 1.895 191 HA2 GLY 30 2HA GLY 30 -10.514 -1.377 2.760 192 HA3 GLY 30 1HA GLY 30 -9.614 -0.648 4.087 193 H MET 31 H MET 31 -8.439 0.202 0.956 194 HA MET 31 HA MET 31 -9.818 2.815 1.126 195 HB2 MET 31 2HB MET 31 -6.973 2.061 0.592 196 HB3 MET 31 1HB MET 31 -7.626 3.483 -0.221 197 HG2 MET 31 2HG MET 31 -6.625 4.210 1.846 198 HG3 MET 31 1HG MET 31 -8.369 4.344 2.025 199 HE1 MET 31 3HE MET 31 -5.960 4.365 3.890 200 HE2 MET 31 1HE MET 31 -5.124 2.806 3.826 201 HE3 MET 31 2HE MET 31 -6.103 3.228 5.228 202 H CYS 32 H CYS 32 -9.966 3.951 -0.958 203 HA CYS 32 HA CYS 32 -11.056 2.241 -2.983 204 HB2 CYS 32 2HB CYS 32 -11.728 4.330 -4.065 205 HB3 CYS 32 1HB CYS 32 -12.089 4.410 -2.346 206 H SER 33 H SER 33 -10.241 3.801 -5.312 207 HA SER 33 HA SER 33 -7.837 2.379 -5.919 208 HB2 SER 33 2HB SER 33 -9.873 3.294 -7.439 209 HB3 SER 33 1HB SER 33 -8.688 4.563 -7.740 210 HG SER 33 HG SER 33 -7.258 3.037 -8.449 211 H VAL 34 H VAL 34 -8.563 5.864 -5.631 212 HA VAL 34 HA VAL 34 -5.912 6.732 -6.139 213 HB VAL 34 HB VAL 34 -8.053 8.220 -4.593 214 HG11 VAL 34 1HG1 VAL 34 -5.893 9.319 -4.458 215 HG12 VAL 34 2HG1 VAL 34 -6.891 10.208 -5.608 216 HG13 VAL 34 3HG1 VAL 34 -5.634 9.119 -6.191 217 HG21 VAL 34 3HG2 VAL 34 -7.573 7.903 -7.565 218 HG22 VAL 34 1HG2 VAL 34 -8.528 9.220 -6.883 219 HG23 VAL 34 2HG2 VAL 34 -9.050 7.552 -6.664 220 H CYS 35 H CYS 35 -7.693 6.607 -3.033 221 HA CYS 35 HA CYS 35 -5.630 7.444 -1.370 222 HB2 CYS 35 2HB CYS 35 -7.910 5.542 -0.794 223 HB3 CYS 35 1HB CYS 35 -6.874 6.259 0.437 224 H TYR 36 H TYR 36 -6.326 4.196 -2.592 225 HA TYR 36 HA TYR 36 -4.617 2.745 -0.923 226 HB2 TYR 36 2HB TYR 36 -6.307 1.720 -2.399 227 HB3 TYR 36 1HB TYR 36 -5.299 2.105 -3.796 228 HD1 TYR 36 1HD TYR 36 -4.742 0.632 -0.368 229 HD2 TYR 36 2HD TYR 36 -4.099 0.276 -4.605 230 HE1 TYR 36 1HE TYR 36 -3.438 -1.444 0.004 231 HE2 TYR 36 2HE TYR 36 -2.793 -1.800 -4.230 232 HH TYR 36 HH TYR 36 -1.426 -2.646 -1.578 233 H LYS 37 H LYS 37 -3.875 4.329 -4.029 234 HA LYS 37 HA LYS 37 -1.185 3.365 -4.112 235 HB2 LYS 37 2HB LYS 37 -2.616 4.155 -6.083 236 HB3 LYS 37 1HB LYS 37 -2.254 5.795 -5.548 237 HG2 LYS 37 2HG LYS 37 0.177 5.280 -5.695 238 HG3 LYS 37 1HG LYS 37 -0.221 3.676 -6.308 239 HD2 LYS 37 2HD LYS 37 0.081 4.821 -8.309 240 HD3 LYS 37 1HD LYS 37 -1.649 5.050 -8.069 241 HE2 LYS 37 2HE LYS 37 -1.344 7.259 -7.233 242 HE3 LYS 37 1HE LYS 37 0.391 7.023 -7.030 243 HZ1 LYS 37 3HZ LYS 37 0.030 8.290 -8.998 244 HZ2 LYS 37 1HZ LYS 37 -1.109 7.178 -9.585 245 HZ3 LYS 37 2HZ LYS 37 0.528 6.737 -9.473 246 H GLU 38 H GLU 38 -2.703 6.461 -3.250 247 HA GLU 38 HA GLU 38 -0.440 7.976 -2.725 248 HB2 GLU 38 2HB GLU 38 -3.159 8.035 -1.413 249 HB3 GLU 38 1HB GLU 38 -1.919 9.260 -1.140 250 HG2 GLU 38 2HG GLU 38 -2.817 8.517 -3.925 251 HG3 GLU 38 1HG GLU 38 -3.664 9.739 -2.974 252 H HIS 39 H HIS 39 -2.095 5.687 -0.535 253 HA HIS 39 HA HIS 39 -0.229 6.379 1.596 254 HB2 HIS 39 2HB HIS 39 -1.529 5.117 3.081 255 HB3 HIS 39 1HB HIS 39 -2.674 5.916 2.018 256 HD1 HIS 39 1HD HIS 39 -4.576 4.366 1.722 257 HD2 HIS 39 2HD HIS 39 -0.963 2.313 1.609 258 HE1 HIS 39 1HE HIS 39 -5.138 1.922 1.370 259 HE2 HIS 39 2HE HIS 39 -2.944 0.665 1.269 260 H LEU 40 H LEU 40 -0.659 3.764 -0.699 261 HA LEU 40 HA LEU 40 1.103 1.894 0.505 262 HB2 LEU 40 2HB LEU 40 -0.526 1.448 -1.382 263 HB3 LEU 40 1HB LEU 40 0.643 2.210 -2.466 264 HG LEU 40 HG LEU 40 2.363 0.561 -1.555 265 HD11 LEU 40 1HD1 LEU 40 1.085 -1.582 -0.702 266 HD12 LEU 40 2HD1 LEU 40 -0.153 -0.418 -0.232 267 HD13 LEU 40 3HD1 LEU 40 1.476 -0.288 0.431 268 HD21 LEU 40 3HD2 LEU 40 1.245 0.292 -3.757 269 HD22 LEU 40 1HD2 LEU 40 -0.065 -0.588 -2.970 270 HD23 LEU 40 2HD2 LEU 40 1.561 -1.268 -2.996 271 H GLN 41 H GLN 41 1.652 4.665 -1.589 272 HA GLN 41 HA GLN 41 4.384 4.099 -2.223 273 HB2 GLN 41 2HB GLN 41 2.729 5.751 -3.359 274 HB3 GLN 41 1HB GLN 41 3.210 6.868 -2.086 275 HG2 GLN 41 2HG GLN 41 5.605 6.490 -2.746 276 HG3 GLN 41 1HG GLN 41 5.023 5.541 -4.119 277 HE21 GLN 41 1HE2 GLN 41 4.230 8.738 -2.619 278 HE22 GLN 41 2HE2 GLN 41 4.139 9.568 -4.107 279 H ARG 42 H ARG 42 2.745 5.915 0.331 280 HA ARG 42 HA ARG 42 5.122 6.970 1.534 281 HB2 ARG 42 2HB ARG 42 2.237 6.760 2.333 282 HB3 ARG 42 1HB ARG 42 3.442 7.244 3.526 283 HG2 ARG 42 2HG ARG 42 4.152 9.103 2.120 284 HG3 ARG 42 1HG ARG 42 3.068 8.581 0.831 285 HD2 ARG 42 2HD ARG 42 1.896 10.319 1.959 286 HD3 ARG 42 1HD ARG 42 1.169 8.819 2.529 287 HE ARG 42 HE ARG 42 3.157 9.334 4.348 288 HH11 ARG 42 1HH2 ARG 42 0.405 11.174 3.154 289 HH12 ARG 42 2HH2 ARG 42 0.210 12.037 4.640 290 HH21 ARG 42 1HH1 ARG 42 2.847 10.478 6.248 291 HH22 ARG 42 2HH1 ARG 42 1.578 11.649 6.371 292 H GLN 43 H GLN 43 3.229 4.030 1.952 293 HA GLN 43 HA GLN 43 4.499 3.242 4.415 294 HB2 GLN 43 2HB GLN 43 2.649 1.905 2.460 295 HB3 GLN 43 1HB GLN 43 3.419 0.977 3.747 296 HG2 GLN 43 2HG GLN 43 1.957 3.547 4.333 297 HG3 GLN 43 1HG GLN 43 1.102 2.009 4.245 298 HE21 GLN 43 1HE2 GLN 43 1.132 0.724 6.116 299 HE22 GLN 43 2HE2 GLN 43 2.150 0.998 7.448 300 H GLN 44 H GLN 44 4.956 2.569 0.984 301 HA GLN 44 HA GLN 44 6.924 0.508 1.388 302 HB2 GLN 44 2HB GLN 44 5.907 2.055 -0.977 303 HB3 GLN 44 1HB GLN 44 7.371 1.083 -1.127 304 HG2 GLN 44 2HG GLN 44 6.095 -0.876 -0.221 305 HG3 GLN 44 1HG GLN 44 4.636 0.113 -0.257 306 HE21 GLN 44 1HE2 GLN 44 5.773 -2.328 -1.943 307 HE22 GLN 44 2HE2 GLN 44 5.418 -1.850 -3.541 308 H ASN 45 H ASN 45 6.988 3.988 0.770 309 HA ASN 45 HA ASN 45 9.792 4.203 0.325 310 HB2 ASN 45 2HB ASN 45 7.594 6.127 1.002 311 HB3 ASN 45 1HB ASN 45 9.273 6.663 1.085 312 HD21 ASN 45 1HD2 ASN 45 9.761 7.743 -0.825 313 HD22 ASN 45 2HD2 ASN 45 9.300 7.224 -2.385 314 H SER 46 H SER 46 7.764 4.364 3.217 315 HA SER 46 HA SER 46 9.928 5.139 4.960 316 HB2 SER 46 2HB SER 46 7.113 4.168 5.451 317 HB3 SER 46 1HB SER 46 8.237 4.523 6.759 318 HG SER 46 HG SER 46 6.722 6.237 5.696 319 H GLY 47 H GLY 47 8.071 2.135 4.432 320 HA2 GLY 47 2HA GLY 47 8.660 -0.075 4.704 321 HA3 GLY 47 1HA GLY 47 10.340 0.451 4.774 322 H ARG 48 H ARG 48 7.543 1.178 6.869 323 HA ARG 48 HA ARG 48 9.176 0.474 9.210 324 HB2 ARG 48 2HB ARG 48 6.589 2.013 8.912 325 HB3 ARG 48 1HB ARG 48 7.311 1.605 10.470 326 HG2 ARG 48 2HG ARG 48 9.362 2.809 9.862 327 HG3 ARG 48 1HG ARG 48 8.689 3.181 8.274 328 HD2 ARG 48 2HD ARG 48 6.951 4.536 9.242 329 HD3 ARG 48 1HD ARG 48 7.371 4.010 10.870 330 HE ARG 48 HE ARG 48 9.635 5.227 9.690 331 HH11 ARG 48 1HH2 ARG 48 6.451 6.106 10.906 332 HH12 ARG 48 2HH2 ARG 48 6.944 7.708 11.327 333 HH21 ARG 48 1HH1 ARG 48 10.208 7.321 10.258 334 HH22 ARG 48 2HH1 ARG 48 9.043 8.391 10.967 335 H MET 49 H MET 49 5.751 0.069 8.222 336 HA MET 49 HA MET 49 5.692 -2.480 9.721 337 HB2 MET 49 2HB MET 49 4.019 -0.579 10.197 338 HB3 MET 49 1HB MET 49 3.287 -1.012 8.652 339 HG2 MET 49 2HG MET 49 2.105 -2.280 10.290 340 HG3 MET 49 1HG MET 49 3.212 -3.418 9.525 341 HE1 MET 49 3HE MET 49 5.636 -4.242 10.820 342 HE2 MET 49 1HE MET 49 4.052 -5.013 10.668 343 HE3 MET 49 2HE MET 49 4.893 -5.020 12.215 344 H SER 50 H SER 50 6.314 -4.075 8.358 345 HA SER 50 HA SER 50 4.597 -4.757 6.146 346 HB2 SER 50 2HB SER 50 6.320 -4.713 4.413 347 HB3 SER 50 1HB SER 50 6.097 -3.098 5.078 348 HG SER 50 HG SER 50 8.334 -3.931 4.852 349 HA PRO 51 HA PRO 51 6.125 -8.745 7.359 350 HB2 PRO 51 2HB PRO 51 5.644 -10.263 5.155 351 HB3 PRO 51 1HB PRO 51 4.342 -9.639 6.187 352 HG2 PRO 51 2HG PRO 51 5.325 -8.634 3.565 353 HG3 PRO 51 1HG PRO 51 3.668 -8.756 4.180 354 HD2 PRO 51 2HD PRO 51 5.113 -6.409 4.152 355 HD3 PRO 51 1HD PRO 51 3.790 -6.743 5.290 356 H MET 52 H MET 52 7.265 -7.555 4.216 357 HA MET 52 HA MET 52 9.942 -8.634 4.807 358 HB2 MET 52 2HB MET 52 8.370 -9.051 2.261 359 HB3 MET 52 1HB MET 52 10.123 -9.231 2.343 360 HG2 MET 52 2HG MET 52 8.269 -10.687 4.234 361 HG3 MET 52 1HG MET 52 8.752 -11.369 2.682 362 HE1 MET 52 3HE MET 52 9.866 -13.311 3.249 363 HE2 MET 52 1HE MET 52 9.491 -13.218 4.975 364 HE3 MET 52 2HE MET 52 11.136 -13.562 4.444 365 H GLY 53 H GLY 53 8.244 -6.826 2.222 366 HA2 GLY 53 2HA GLY 53 8.526 -4.491 1.814 367 HA3 GLY 53 1HA GLY 53 10.063 -4.551 2.670 368 H THR 54 H THR 54 11.054 -6.918 1.334 369 HA THR 54 HA THR 54 11.440 -5.895 -1.423 370 HB THR 54 HB THR 54 13.778 -6.766 -1.253 371 HG1 THR 54 1HG THR 54 13.090 -6.964 1.492 372 HG21 THR 54 3HG2 THR 54 14.597 -4.902 0.171 373 HG22 THR 54 1HG2 THR 54 12.955 -4.661 0.764 374 HG23 THR 54 2HG2 THR 54 13.325 -4.385 -0.937 375 H ALA 55 H ALA 55 11.930 -7.493 -3.025 376 HA ALA 55 HA ALA 55 10.597 -10.038 -2.502 377 HB1 ALA 55 1HB ALA 55 11.727 -8.916 -5.079 378 HB2 ALA 55 2HB ALA 55 10.054 -8.748 -4.545 379 HB3 ALA 55 3HB ALA 55 10.703 -10.344 -4.925 380 H SER 56 H SER 56 11.728 -11.743 -1.834 381 HA SER 56 HA SER 56 14.620 -11.836 -2.204 382 HB2 SER 56 2HB SER 56 12.765 -13.744 -0.766 383 HB3 SER 56 1HB SER 56 14.525 -13.781 -0.716 384 HG SER 56 HG SER 56 12.716 -12.019 0.464 385 H GLY 57 H GLY 57 15.465 -14.190 -2.655 386 HA2 GLY 57 2HA GLY 57 15.457 -16.121 -3.985 387 HA3 GLY 57 1HA GLY 57 13.897 -15.634 -4.646 388 H SER 58 H SER 58 17.371 -14.883 -4.721 389 HA SER 58 HA SER 58 17.145 -14.282 -7.580 390 HB2 SER 58 2HB SER 58 18.488 -12.387 -5.640 391 HB3 SER 58 1HB SER 58 18.360 -12.188 -7.386 392 HG SER 58 HG SER 58 16.178 -11.921 -7.185 393 H ASN 59 H ASN 59 18.256 -16.510 -6.076 394 HA ASN 59 HA ASN 59 21.123 -16.239 -6.025 395 HB2 ASN 59 2HB ASN 59 21.090 -18.709 -5.654 396 HB3 ASN 59 1HB ASN 59 20.094 -17.817 -4.509 397 HD21 ASN 59 1HD2 ASN 59 20.006 -20.096 -7.206 398 HD22 ASN 59 2HD2 ASN 59 18.348 -20.444 -7.088 399 H SER 60 H SER 60 22.623 -17.321 -7.396 400 HA SER 60 HA SER 60 21.590 -18.189 -10.020 401 HB2 SER 60 2HB SER 60 22.242 -15.864 -10.314 402 HB3 SER 60 1HB SER 60 23.803 -16.175 -9.558 403 HG SER 60 HG SER 60 22.844 -16.873 -12.082 404 HA PRO 61 HA PRO 61 24.385 -21.602 -9.526 405 HB2 PRO 61 2HB PRO 61 25.139 -21.287 -12.390 406 HB3 PRO 61 1HB PRO 61 24.468 -22.694 -11.545 407 HG2 PRO 61 2HG PRO 61 22.995 -21.229 -13.208 408 HG3 PRO 61 1HG PRO 61 22.310 -21.954 -11.743 409 HD2 PRO 61 2HD PRO 61 23.051 -19.098 -12.264 410 HD3 PRO 61 1HD PRO 61 21.711 -19.762 -11.302 411 H THR 62 H THR 62 26.549 -21.989 -9.092 412 HA THR 62 HA THR 62 28.325 -19.690 -9.198 413 HB THR 62 HB THR 62 29.051 -22.427 -8.172 414 HG1 THR 62 1HG THR 62 27.938 -22.044 -6.378 415 HG21 THR 62 3HG2 THR 62 29.810 -19.604 -7.371 416 HG22 THR 62 1HG2 THR 62 30.814 -20.714 -8.302 417 HG23 THR 62 2HG2 THR 62 30.421 -21.078 -6.622 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -37.123 -9.450 22.621 2 H2 GLY 1 2HT GLY 1 -37.372 -10.506 21.313 3 H3 GLY 1 3HT GLY 1 -37.854 -8.881 21.202 4 HA2 GLY 1 2HA GLY 1 -35.031 -9.664 21.616 5 HA3 GLY 1 1HA GLY 1 -35.734 -9.485 20.008 6 H SER 2 H SER 2 -35.626 -7.725 23.123 7 HA SER 2 HA SER 2 -34.985 -5.254 21.644 8 HB2 SER 2 2HB SER 2 -36.948 -5.289 23.934 9 HB3 SER 2 1HB SER 2 -36.599 -3.971 22.822 10 HG SER 2 HG SER 2 -38.549 -5.205 22.370 11 H MET 3 H MET 3 -33.549 -3.911 22.662 12 HA MET 3 HA MET 3 -32.828 -4.397 25.455 13 HB2 MET 3 2HB MET 3 -31.016 -4.895 23.111 14 HB3 MET 3 1HB MET 3 -30.352 -4.389 24.664 15 HG2 MET 3 2HG MET 3 -31.691 -6.294 25.708 16 HG3 MET 3 1HG MET 3 -31.974 -6.868 24.064 17 HE1 MET 3 3HE MET 3 -31.058 -9.039 24.626 18 HE2 MET 3 1HE MET 3 -30.466 -8.713 26.259 19 HE3 MET 3 2HE MET 3 -29.397 -9.438 25.061 20 H ALA 4 H ALA 4 -30.830 -2.827 25.939 21 HA ALA 4 HA ALA 4 -31.759 -0.168 25.145 22 HB1 ALA 4 1HB ALA 4 -29.996 0.507 26.914 23 HB2 ALA 4 2HB ALA 4 -29.949 -1.211 27.313 24 HB3 ALA 4 3HB ALA 4 -31.456 -0.309 27.472 25 H GLN 5 H GLN 5 -28.847 -2.184 25.005 26 HA GLN 5 HA GLN 5 -27.456 -0.117 23.437 27 HB2 GLN 5 2HB GLN 5 -26.416 -1.394 25.442 28 HB3 GLN 5 1HB GLN 5 -26.258 -2.735 24.308 29 HG2 GLN 5 2HG GLN 5 -24.892 -1.433 22.823 30 HG3 GLN 5 1HG GLN 5 -25.235 0.050 23.712 31 HE21 GLN 5 1HE2 GLN 5 -24.544 -0.099 26.161 32 HE22 GLN 5 2HE2 GLN 5 -23.047 -0.860 26.459 33 H GLU 6 H GLU 6 -29.698 -1.705 22.319 34 HA GLU 6 HA GLU 6 -28.549 -3.645 20.521 35 HB2 GLU 6 2HB GLU 6 -30.974 -3.559 21.427 36 HB3 GLU 6 1HB GLU 6 -31.244 -2.355 20.166 37 HG2 GLU 6 2HG GLU 6 -30.495 -3.933 18.452 38 HG3 GLU 6 1HG GLU 6 -30.129 -5.134 19.691 39 H THR 7 H THR 7 -27.312 -3.060 18.856 40 HA THR 7 HA THR 7 -27.551 -0.410 17.674 41 HB THR 7 HB THR 7 -25.306 -1.262 18.042 42 HG1 THR 7 1HG THR 7 -24.702 -0.452 16.215 43 HG21 THR 7 3HG2 THR 7 -26.398 -3.659 16.634 44 HG22 THR 7 1HG2 THR 7 -25.282 -3.566 17.996 45 HG23 THR 7 2HG2 THR 7 -24.704 -3.251 16.361 46 H ASN 8 H ASN 8 -27.626 -0.170 15.286 47 HA ASN 8 HA ASN 8 -29.248 -2.273 13.977 48 HB2 ASN 8 2HB ASN 8 -29.771 0.686 14.175 49 HB3 ASN 8 1HB ASN 8 -30.432 -0.273 12.852 50 HD21 ASN 8 1HD2 ASN 8 -31.722 -2.279 13.574 51 HD22 ASN 8 2HD2 ASN 8 -32.636 -2.142 15.007 52 H GLN 9 H GLN 9 -26.398 -1.777 13.776 53 HA GLN 9 HA GLN 9 -26.108 -0.637 11.073 54 HB2 GLN 9 2HB GLN 9 -23.672 -0.699 11.558 55 HB3 GLN 9 1HB GLN 9 -24.571 0.278 12.712 56 HG2 GLN 9 2HG GLN 9 -23.841 -0.989 14.429 57 HG3 GLN 9 1HG GLN 9 -24.489 -2.443 13.682 58 HE21 GLN 9 1HE2 GLN 9 -21.600 -1.001 14.693 59 HE22 GLN 9 2HE2 GLN 9 -20.518 -1.945 13.772 60 H THR 10 H THR 10 -24.360 -1.815 9.733 61 HA THR 10 HA THR 10 -24.160 -4.666 10.097 62 HB THR 10 HB THR 10 -26.403 -4.630 9.183 63 HG1 THR 10 1HG THR 10 -25.581 -6.278 8.184 64 HG21 THR 10 3HG2 THR 10 -25.183 -2.751 7.163 65 HG22 THR 10 1HG2 THR 10 -26.635 -2.525 8.141 66 HG23 THR 10 2HG2 THR 10 -26.647 -3.661 6.792 67 HA PRO 11 HA PRO 11 -20.568 -3.654 7.661 68 HB2 PRO 11 2HB PRO 11 -19.649 -6.146 7.045 69 HB3 PRO 11 1HB PRO 11 -19.517 -5.441 8.667 70 HG2 PRO 11 2HG PRO 11 -21.426 -7.461 7.630 71 HG3 PRO 11 1HG PRO 11 -20.672 -7.329 9.227 72 HD2 PRO 11 2HD PRO 11 -23.273 -6.548 8.658 73 HD3 PRO 11 1HD PRO 11 -22.317 -5.942 10.025 74 H GLY 12 H GLY 12 -19.590 -4.011 5.476 75 HA2 GLY 12 2HA GLY 12 -20.098 -5.191 3.262 76 HA3 GLY 12 1HA GLY 12 -21.698 -4.468 3.450 77 HA PRO 13 HA PRO 13 -20.306 -0.652 1.692 78 HB2 PRO 13 2HB PRO 13 -21.001 1.351 3.420 79 HB3 PRO 13 1HB PRO 13 -22.185 0.434 2.465 80 HG2 PRO 13 2HG PRO 13 -21.389 0.100 5.322 81 HG3 PRO 13 1HG PRO 13 -23.004 0.050 4.585 82 HD2 PRO 13 2HD PRO 13 -21.634 -2.212 5.246 83 HD3 PRO 13 1HD PRO 13 -22.762 -2.143 3.872 84 H MET 14 H MET 14 -18.009 -1.502 2.121 85 HA MET 14 HA MET 14 -16.466 -0.332 4.236 86 HB2 MET 14 2HB MET 14 -15.725 -1.775 1.690 87 HB3 MET 14 1HB MET 14 -14.508 -1.101 2.771 88 HG2 MET 14 2HG MET 14 -16.668 -2.963 3.766 89 HG3 MET 14 1HG MET 14 -15.135 -3.562 3.136 90 HE1 MET 14 3HE MET 14 -13.275 -3.913 6.204 91 HE2 MET 14 1HE MET 14 -13.400 -4.157 4.456 92 HE3 MET 14 2HE MET 14 -14.662 -4.763 5.527 93 H LEU 15 H LEU 15 -17.019 1.918 4.045 94 HA LEU 15 HA LEU 15 -16.364 3.390 1.656 95 HB2 LEU 15 2HB LEU 15 -17.771 3.883 4.109 96 HB3 LEU 15 1HB LEU 15 -16.536 5.127 3.940 97 HG LEU 15 HG LEU 15 -17.364 5.561 1.610 98 HD11 LEU 15 1HD1 LEU 15 -19.410 3.497 2.456 99 HD12 LEU 15 2HD1 LEU 15 -18.425 3.517 0.993 100 HD13 LEU 15 3HD1 LEU 15 -19.739 4.676 1.186 101 HD21 LEU 15 3HD2 LEU 15 -19.506 6.640 2.356 102 HD22 LEU 15 1HD2 LEU 15 -18.138 6.982 3.414 103 HD23 LEU 15 2HD2 LEU 15 -19.345 5.790 3.892 104 H CYS 16 H CYS 16 -14.588 4.732 1.289 105 HA CYS 16 HA CYS 16 -12.093 3.904 1.987 106 HB2 CYS 16 2HB CYS 16 -12.781 5.632 0.234 107 HB3 CYS 16 1HB CYS 16 -12.636 6.827 1.529 108 H SER 17 H SER 17 -10.681 4.087 3.548 109 HA SER 17 HA SER 17 -11.422 4.979 6.144 110 HB2 SER 17 2HB SER 17 -8.600 4.434 5.230 111 HB3 SER 17 1HB SER 17 -9.285 4.228 6.843 112 HG SER 17 HG SER 17 -10.335 2.451 6.177 113 H THR 18 H THR 18 -9.814 6.587 3.490 114 HA THR 18 HA THR 18 -8.636 8.655 5.130 115 HB THR 18 HB THR 18 -8.003 9.679 2.979 116 HG1 THR 18 1HG THR 18 -9.288 9.238 1.399 117 HG21 THR 18 3HG2 THR 18 -7.203 7.052 2.200 118 HG22 THR 18 1HG2 THR 18 -7.213 7.100 3.964 119 HG23 THR 18 2HG2 THR 18 -6.256 8.267 3.055 120 H GLY 19 H GLY 19 -11.773 8.170 3.746 121 HA2 GLY 19 2HA GLY 19 -13.646 9.492 4.128 122 HA3 GLY 19 1HA GLY 19 -12.590 10.773 4.726 123 H CYS 20 H CYS 20 -12.230 9.174 1.584 124 HA CYS 20 HA CYS 20 -12.330 11.749 0.270 125 HB2 CYS 20 2HB CYS 20 -11.869 10.495 -1.809 126 HB3 CYS 20 1HB CYS 20 -10.725 10.092 -0.527 127 H GLY 21 H GLY 21 -14.653 9.306 1.036 128 HA2 GLY 21 2HA GLY 21 -16.974 9.584 0.867 129 HA3 GLY 21 1HA GLY 21 -16.722 10.811 -0.374 130 H PHE 22 H PHE 22 -14.861 8.023 -1.011 131 HA PHE 22 HA PHE 22 -16.792 7.151 -3.039 132 HB2 PHE 22 2HB PHE 22 -13.779 7.045 -2.868 133 HB3 PHE 22 1HB PHE 22 -14.680 6.116 -4.065 134 HD1 PHE 22 1HD PHE 22 -16.408 7.391 -5.503 135 HD2 PHE 22 2HD PHE 22 -13.263 9.314 -3.300 136 HE1 PHE 22 1HE PHE 22 -16.634 9.398 -6.935 137 HE2 PHE 22 2HE PHE 22 -13.486 11.325 -4.735 138 HZ PHE 22 HZ PHE 22 -15.173 11.368 -6.553 139 H TYR 23 H TYR 23 -15.885 4.669 -3.642 140 HA TYR 23 HA TYR 23 -16.596 3.150 -1.223 141 HB2 TYR 23 2HB TYR 23 -17.770 2.931 -3.561 142 HB3 TYR 23 1HB TYR 23 -16.382 1.907 -3.942 143 HD1 TYR 23 1HD TYR 23 -18.878 2.446 -1.189 144 HD2 TYR 23 2HD TYR 23 -16.512 -0.365 -3.417 145 HE1 TYR 23 1HE TYR 23 -19.921 0.578 0.062 146 HE2 TYR 23 2HE TYR 23 -17.555 -2.235 -2.165 147 HH TYR 23 HH TYR 23 -18.709 -2.407 0.253 148 H GLY 24 H GLY 24 -15.354 1.502 -0.407 149 HA2 GLY 24 2HA GLY 24 -12.584 1.293 -1.450 150 HA3 GLY 24 1HA GLY 24 -13.021 1.130 0.252 151 H ASN 25 H ASN 25 -11.552 -0.882 -0.811 152 HA ASN 25 HA ASN 25 -13.515 -3.073 -1.197 153 HB2 ASN 25 2HB ASN 25 -11.799 -2.353 -3.109 154 HB3 ASN 25 1HB ASN 25 -10.704 -3.363 -2.175 155 HD21 ASN 25 1HD2 ASN 25 -14.214 -3.679 -3.008 156 HD22 ASN 25 2HD2 ASN 25 -14.059 -5.256 -3.639 157 HA PRO 26 HA PRO 26 -11.553 -4.662 2.493 158 HB2 PRO 26 2HB PRO 26 -12.549 -7.194 2.528 159 HB3 PRO 26 1HB PRO 26 -13.507 -5.762 2.945 160 HG2 PRO 26 2HG PRO 26 -13.499 -7.374 0.457 161 HG3 PRO 26 1HG PRO 26 -14.839 -6.551 1.272 162 HD2 PRO 26 2HD PRO 26 -13.503 -5.572 -0.969 163 HD3 PRO 26 1HD PRO 26 -14.468 -4.585 0.148 164 H ARG 27 H ARG 27 -11.023 -6.043 -0.656 165 HA ARG 27 HA ARG 27 -9.029 -7.963 0.167 166 HB2 ARG 27 2HB ARG 27 -10.013 -6.894 -2.470 167 HB3 ARG 27 1HB ARG 27 -8.540 -7.858 -2.392 168 HG2 ARG 27 2HG ARG 27 -10.939 -8.923 -0.956 169 HG3 ARG 27 1HG ARG 27 -10.966 -8.974 -2.718 170 HD2 ARG 27 2HD ARG 27 -8.612 -10.021 -2.537 171 HD3 ARG 27 1HD ARG 27 -9.001 -10.283 -0.840 172 HE ARG 27 HE ARG 27 -11.143 -11.298 -2.314 173 HH11 ARG 27 1HH2 ARG 27 -7.703 -11.957 -2.001 174 HH12 ARG 27 2HH2 ARG 27 -7.889 -13.638 -2.359 175 HH21 ARG 27 1HH1 ARG 27 -11.314 -13.491 -2.792 176 HH22 ARG 27 2HH1 ARG 27 -9.903 -14.495 -2.812 177 H THR 28 H THR 28 -9.141 -4.635 -0.968 178 HA THR 28 HA THR 28 -6.265 -4.382 -1.262 179 HB THR 28 HB THR 28 -6.726 -2.035 -1.726 180 HG1 THR 28 1HG THR 28 -9.353 -2.620 -0.839 181 HG21 THR 28 3HG2 THR 28 -7.249 -3.545 -3.564 182 HG22 THR 28 1HG2 THR 28 -8.439 -2.244 -3.526 183 HG23 THR 28 2HG2 THR 28 -8.856 -3.840 -2.903 184 H ASN 29 H ASN 29 -6.173 -1.716 0.186 185 HA ASN 29 HA ASN 29 -5.674 -2.774 2.849 186 HB2 ASN 29 2HB ASN 29 -4.911 -0.314 1.319 187 HB3 ASN 29 1HB ASN 29 -4.883 -0.248 3.079 188 HD21 ASN 29 1HD2 ASN 29 -4.059 -3.077 0.994 189 HD22 ASN 29 2HD2 ASN 29 -2.445 -3.178 1.531 190 H GLY 30 H GLY 30 -8.523 -2.407 1.935 191 HA2 GLY 30 2HA GLY 30 -10.477 -1.804 2.960 192 HA3 GLY 30 1HA GLY 30 -9.526 -1.106 4.269 193 H MET 31 H MET 31 -8.673 0.056 1.130 194 HA MET 31 HA MET 31 -10.381 2.444 1.463 195 HB2 MET 31 2HB MET 31 -7.446 2.416 0.697 196 HB3 MET 31 1HB MET 31 -8.480 3.849 0.790 197 HG2 MET 31 2HG MET 31 -8.941 3.089 3.233 198 HG3 MET 31 1HG MET 31 -7.520 2.071 3.036 199 HE1 MET 31 3HE MET 31 -6.271 3.658 5.205 200 HE2 MET 31 1HE MET 31 -4.880 4.089 4.199 201 HE3 MET 31 2HE MET 31 -5.714 2.559 3.945 202 H CYS 32 H CYS 32 -10.143 3.818 -0.681 203 HA CYS 32 HA CYS 32 -11.095 2.106 -2.766 204 HB2 CYS 32 2HB CYS 32 -11.778 4.085 -3.898 205 HB3 CYS 32 1HB CYS 32 -12.083 4.354 -2.186 206 H SER 33 H SER 33 -10.256 3.252 -5.111 207 HA SER 33 HA SER 33 -7.729 1.951 -5.452 208 HB2 SER 33 2HB SER 33 -9.822 2.410 -7.098 209 HB3 SER 33 1HB SER 33 -8.709 3.651 -7.664 210 HG SER 33 HG SER 33 -8.486 1.499 -8.632 211 H VAL 34 H VAL 34 -8.658 5.416 -5.721 212 HA VAL 34 HA VAL 34 -6.045 6.273 -6.470 213 HB VAL 34 HB VAL 34 -8.162 7.972 -5.121 214 HG11 VAL 34 1HG1 VAL 34 -6.966 9.654 -6.791 215 HG12 VAL 34 2HG1 VAL 34 -5.639 8.498 -6.668 216 HG13 VAL 34 3HG1 VAL 34 -6.245 9.300 -5.220 217 HG21 VAL 34 3HG2 VAL 34 -7.742 7.484 -8.084 218 HG22 VAL 34 1HG2 VAL 34 -8.979 8.503 -7.351 219 HG23 VAL 34 2HG2 VAL 34 -9.038 6.755 -7.141 220 H CYS 35 H CYS 35 -7.751 6.478 -3.342 221 HA CYS 35 HA CYS 35 -5.660 7.608 -1.857 222 HB2 CYS 35 2HB CYS 35 -7.926 5.815 -0.968 223 HB3 CYS 35 1HB CYS 35 -6.881 6.723 0.122 224 H TYR 36 H TYR 36 -6.443 4.234 -2.587 225 HA TYR 36 HA TYR 36 -4.697 2.979 -0.800 226 HB2 TYR 36 2HB TYR 36 -6.340 1.661 -1.948 227 HB3 TYR 36 1HB TYR 36 -5.686 2.105 -3.526 228 HD1 TYR 36 2HD TYR 36 -4.261 0.771 -0.303 229 HD2 TYR 36 1HD TYR 36 -4.576 0.328 -4.561 230 HE1 TYR 36 2HE TYR 36 -2.738 -1.176 -0.208 231 HE2 TYR 36 1HE TYR 36 -3.056 -1.630 -4.467 232 HH TYR 36 HH TYR 36 -2.266 -3.211 -1.598 233 H LYS 37 H LYS 37 -4.073 4.505 -3.905 234 HA LYS 37 HA LYS 37 -1.386 3.502 -4.128 235 HB2 LYS 37 2HB LYS 37 -3.195 5.299 -5.647 236 HB3 LYS 37 1HB LYS 37 -1.477 5.642 -5.808 237 HG2 LYS 37 2HG LYS 37 -1.181 3.132 -6.270 238 HG3 LYS 37 1HG LYS 37 -2.933 3.076 -6.463 239 HD2 LYS 37 2HD LYS 37 -1.941 3.385 -8.655 240 HD3 LYS 37 1HD LYS 37 -2.734 4.891 -8.194 241 HE2 LYS 37 2HE LYS 37 -0.667 5.943 -7.670 242 HE3 LYS 37 1HE LYS 37 0.201 4.408 -7.649 243 HZ1 LYS 37 3HZ LYS 37 -0.915 5.830 -9.995 244 HZ2 LYS 37 1HZ LYS 37 -0.399 4.214 -10.059 245 HZ3 LYS 37 2HZ LYS 37 0.711 5.443 -9.685 246 H GLU 38 H GLU 38 -2.913 6.579 -3.208 247 HA GLU 38 HA GLU 38 -0.602 8.088 -2.788 248 HB2 GLU 38 2HB GLU 38 -3.312 8.267 -1.469 249 HB3 GLU 38 1HB GLU 38 -2.040 9.471 -1.262 250 HG2 GLU 38 2HG GLU 38 -1.973 9.555 -3.848 251 HG3 GLU 38 1HG GLU 38 -3.531 8.734 -3.779 252 H HIS 39 H HIS 39 -2.320 5.958 -0.469 253 HA HIS 39 HA HIS 39 -0.456 6.716 1.624 254 HB2 HIS 39 2HB HIS 39 -1.778 5.543 3.144 255 HB3 HIS 39 1HB HIS 39 -2.935 6.166 1.977 256 HD1 HIS 39 1HD HIS 39 -4.676 4.470 1.496 257 HD2 HIS 39 2HD HIS 39 -0.985 2.664 2.173 258 HE1 HIS 39 1HE HIS 39 -5.067 1.972 1.379 259 HE2 HIS 39 2HE HIS 39 -2.820 0.859 1.764 260 H LEU 40 H LEU 40 -0.865 3.956 -0.539 261 HA LEU 40 HA LEU 40 0.990 2.211 0.700 262 HB2 LEU 40 2HB LEU 40 -0.648 1.660 -1.179 263 HB3 LEU 40 1HB LEU 40 0.536 2.369 -2.281 264 HG LEU 40 HG LEU 40 2.226 0.769 -1.107 265 HD11 LEU 40 1HD1 LEU 40 0.780 0.091 0.739 266 HD12 LEU 40 2HD1 LEU 40 1.124 -1.313 -0.274 267 HD13 LEU 40 3HD1 LEU 40 -0.436 -0.500 -0.394 268 HD21 LEU 40 3HD2 LEU 40 0.989 0.624 -3.461 269 HD22 LEU 40 1HD2 LEU 40 0.181 -0.749 -2.702 270 HD23 LEU 40 2HD2 LEU 40 1.938 -0.733 -2.860 271 H GLN 41 H GLN 41 1.421 4.994 -1.373 272 HA GLN 41 HA GLN 41 4.075 4.562 -2.243 273 HB2 GLN 41 2HB GLN 41 2.462 6.326 -3.086 274 HB3 GLN 41 1HB GLN 41 2.840 7.251 -1.633 275 HG2 GLN 41 2HG GLN 41 4.311 8.070 -3.323 276 HG3 GLN 41 1HG GLN 41 5.292 7.031 -2.286 277 HE21 GLN 41 1HE2 GLN 41 3.127 6.534 -5.148 278 HE22 GLN 41 2HE2 GLN 41 4.222 5.519 -5.972 279 H ARG 42 H ARG 42 2.761 6.007 0.716 280 HA ARG 42 HA ARG 42 5.350 6.775 1.741 281 HB2 ARG 42 2HB ARG 42 2.592 6.676 2.977 282 HB3 ARG 42 1HB ARG 42 4.030 7.129 3.893 283 HG2 ARG 42 2HG ARG 42 4.430 8.778 1.867 284 HG3 ARG 42 1HG ARG 42 2.696 8.572 1.626 285 HD2 ARG 42 2HD ARG 42 2.248 9.305 3.911 286 HD3 ARG 42 1HD ARG 42 3.974 9.403 4.251 287 HE ARG 42 HE ARG 42 3.160 11.035 2.007 288 HH11 ARG 42 1HH2 ARG 42 3.462 10.945 5.510 289 HH12 ARG 42 2HH2 ARG 42 3.554 12.664 5.649 290 HH21 ARG 42 1HH1 ARG 42 3.256 13.264 2.259 291 HH22 ARG 42 2HH1 ARG 42 3.428 13.966 3.834 292 H GLN 43 H GLN 43 3.261 3.963 1.934 293 HA GLN 43 HA GLN 43 4.568 2.737 4.180 294 HB2 GLN 43 2HB GLN 43 2.812 1.552 2.016 295 HB3 GLN 43 1HB GLN 43 3.306 0.716 3.486 296 HG2 GLN 43 2HG GLN 43 2.077 3.375 3.952 297 HG3 GLN 43 1HG GLN 43 0.996 2.196 3.219 298 HE21 GLN 43 1HE2 GLN 43 3.343 2.417 5.966 299 HE22 GLN 43 2HE2 GLN 43 2.433 1.424 7.001 300 H GLN 44 H GLN 44 4.917 2.592 0.661 301 HA GLN 44 HA GLN 44 6.755 0.396 0.647 302 HB2 GLN 44 2HB GLN 44 5.311 1.166 -1.301 303 HB3 GLN 44 1HB GLN 44 6.468 2.481 -1.518 304 HG2 GLN 44 2HG GLN 44 8.297 0.826 -1.737 305 HG3 GLN 44 1HG GLN 44 7.132 -0.477 -1.550 306 HE21 GLN 44 1HE2 GLN 44 5.987 -1.144 -3.404 307 HE22 GLN 44 2HE2 GLN 44 6.114 -0.369 -4.921 308 H ASN 45 H ASN 45 7.130 3.827 1.172 309 HA ASN 45 HA ASN 45 9.712 4.331 0.319 310 HB2 ASN 45 2HB ASN 45 8.058 5.940 1.399 311 HB3 ASN 45 1HB ASN 45 8.647 5.342 2.950 312 HD21 ASN 45 1HD2 ASN 45 9.306 7.560 0.391 313 HD22 ASN 45 2HD2 ASN 45 10.867 8.020 0.908 314 H SER 46 H SER 46 8.726 2.790 3.375 315 HA SER 46 HA SER 46 11.517 2.446 4.169 316 HB2 SER 46 2HB SER 46 10.584 1.505 6.236 317 HB3 SER 46 1HB SER 46 9.859 3.069 5.874 318 HG SER 46 HG SER 46 8.147 1.798 6.264 319 H GLY 47 H GLY 47 8.688 0.349 3.538 320 HA2 GLY 47 2HA GLY 47 8.724 -1.671 2.321 321 HA3 GLY 47 1HA GLY 47 10.480 -1.702 2.466 322 H ARG 48 H ARG 48 11.022 -1.594 5.069 323 HA ARG 48 HA ARG 48 9.435 -3.741 6.350 324 HB2 ARG 48 2HB ARG 48 11.715 -4.445 5.312 325 HB3 ARG 48 1HB ARG 48 12.418 -3.575 6.674 326 HG2 ARG 48 2HG ARG 48 10.658 -4.987 8.072 327 HG3 ARG 48 1HG ARG 48 10.741 -6.063 6.678 328 HD2 ARG 48 2HD ARG 48 13.165 -6.252 6.924 329 HD3 ARG 48 1HD ARG 48 13.146 -5.092 8.248 330 HE ARG 48 HE ARG 48 12.456 -6.793 9.660 331 HH11 ARG 48 1HH2 ARG 48 11.876 -7.798 6.340 332 HH12 ARG 48 2HH2 ARG 48 11.489 -9.421 6.789 333 HH21 ARG 48 1HH1 ARG 48 11.945 -8.921 10.181 334 HH22 ARG 48 2HH1 ARG 48 11.529 -10.052 8.938 335 H MET 49 H MET 49 8.397 -2.449 7.820 336 HA MET 49 HA MET 49 10.115 -0.967 9.731 337 HB2 MET 49 2HB MET 49 8.550 0.432 8.272 338 HB3 MET 49 1HB MET 49 7.221 -0.331 9.145 339 HG2 MET 49 2HG MET 49 8.095 0.493 11.271 340 HG3 MET 49 1HG MET 49 9.499 1.182 10.454 341 HE1 MET 49 3HE MET 49 7.864 2.627 12.384 342 HE2 MET 49 1HE MET 49 6.209 2.130 12.006 343 HE3 MET 49 2HE MET 49 6.692 3.813 11.815 344 H SER 50 H SER 50 6.801 -2.302 9.536 345 HA SER 50 HA SER 50 7.061 -3.234 12.319 346 HB2 SER 50 2HB SER 50 4.565 -3.133 10.621 347 HB3 SER 50 1HB SER 50 4.669 -3.332 12.369 348 HG SER 50 HG SER 50 4.202 -1.154 11.600 349 HA PRO 51 HA PRO 51 7.359 -7.543 11.387 350 HB2 PRO 51 2HB PRO 51 4.876 -8.091 12.942 351 HB3 PRO 51 1HB PRO 51 6.509 -8.750 13.145 352 HG2 PRO 51 2HG PRO 51 5.501 -6.934 14.817 353 HG3 PRO 51 1HG PRO 51 7.220 -6.974 14.393 354 HD2 PRO 51 2HD PRO 51 5.100 -5.077 13.486 355 HD3 PRO 51 1HD PRO 51 6.835 -4.795 13.744 356 H MET 52 H MET 52 6.869 -8.544 9.522 357 HA MET 52 HA MET 52 4.189 -8.166 8.345 358 HB2 MET 52 2HB MET 52 6.407 -7.563 7.126 359 HB3 MET 52 1HB MET 52 6.558 -9.304 6.886 360 HG2 MET 52 2HG MET 52 4.526 -9.418 5.651 361 HG3 MET 52 1HG MET 52 4.029 -7.810 6.175 362 HE1 MET 52 3HE MET 52 3.653 -8.650 3.602 363 HE2 MET 52 1HE MET 52 4.647 -7.974 2.304 364 HE3 MET 52 2HE MET 52 3.709 -6.907 3.345 365 H GLY 53 H GLY 53 6.614 -10.650 9.102 366 HA2 GLY 53 2HA GLY 53 6.027 -12.811 9.933 367 HA3 GLY 53 1HA GLY 53 4.473 -12.676 9.114 368 H THR 54 H THR 54 5.079 -12.034 6.571 369 HA THR 54 HA THR 54 6.401 -14.457 5.603 370 HB THR 54 HB THR 54 5.040 -12.342 3.936 371 HG1 THR 54 1HG THR 54 3.170 -13.602 4.210 372 HG21 THR 54 3HG2 THR 54 5.561 -15.306 3.578 373 HG22 THR 54 1HG2 THR 54 6.360 -13.991 2.714 374 HG23 THR 54 2HG2 THR 54 4.643 -14.302 2.456 375 H ALA 55 H ALA 55 8.215 -14.483 4.315 376 HA ALA 55 HA ALA 55 9.555 -11.903 3.766 377 HB1 ALA 55 1HB ALA 55 10.633 -14.304 5.215 378 HB2 ALA 55 2HB ALA 55 10.779 -12.597 5.632 379 HB3 ALA 55 3HB ALA 55 11.719 -13.262 4.296 380 H SER 56 H SER 56 9.667 -15.426 3.172 381 HA SER 56 HA SER 56 10.928 -15.025 0.581 382 HB2 SER 56 2HB SER 56 11.317 -16.977 2.275 383 HB3 SER 56 1HB SER 56 9.858 -17.653 1.559 384 HG SER 56 HG SER 56 11.130 -18.292 0.020 385 H GLY 57 H GLY 57 7.780 -15.977 1.890 386 HA2 GLY 57 2HA GLY 57 5.731 -15.452 0.772 387 HA3 GLY 57 1HA GLY 57 6.585 -15.519 -0.767 388 H SER 58 H SER 58 6.720 -17.872 1.883 389 HA SER 58 HA SER 58 6.101 -20.026 0.031 390 HB2 SER 58 2HB SER 58 6.558 -20.236 3.009 391 HB3 SER 58 1HB SER 58 6.735 -21.502 1.797 392 HG SER 58 HG SER 58 8.456 -20.300 0.906 393 H ASN 59 H ASN 59 4.804 -19.002 3.210 394 HA ASN 59 HA ASN 59 2.310 -20.424 2.655 395 HB2 ASN 59 2HB ASN 59 3.561 -20.432 4.909 396 HB3 ASN 59 1HB ASN 59 2.914 -18.808 5.124 397 HD21 ASN 59 1HD2 ASN 59 2.258 -21.681 6.302 398 HD22 ASN 59 2HD2 ASN 59 0.562 -21.712 6.241 399 H SER 60 H SER 60 0.406 -19.471 2.167 400 HA SER 60 HA SER 60 -0.007 -16.625 2.590 401 HB2 SER 60 2HB SER 60 1.219 -16.921 0.355 402 HB3 SER 60 1HB SER 60 -0.262 -17.678 -0.226 403 HG SER 60 HG SER 60 -1.363 -15.755 0.396 404 HA PRO 61 HA PRO 61 -3.805 -19.221 3.213 405 HB2 PRO 61 2HB PRO 61 -4.552 -16.861 4.862 406 HB3 PRO 61 1HB PRO 61 -4.586 -18.586 5.275 407 HG2 PRO 61 2HG PRO 61 -2.748 -16.929 6.276 408 HG3 PRO 61 1HG PRO 61 -2.381 -18.620 5.890 409 HD2 PRO 61 2HD PRO 61 -1.642 -16.140 4.384 410 HD3 PRO 61 1HD PRO 61 -0.726 -17.648 4.597 411 H THR 62 H THR 62 -5.920 -18.960 2.392 412 HA THR 62 HA THR 62 -6.215 -16.782 0.465 413 HB THR 62 HB THR 62 -8.226 -18.119 -0.258 414 HG1 THR 62 1HG THR 62 -8.852 -19.470 1.216 415 HG21 THR 62 3HG2 THR 62 -5.563 -19.562 -0.130 416 HG22 THR 62 1HG2 THR 62 -6.041 -18.382 -1.350 417 HG23 THR 62 2HG2 THR 62 -6.870 -19.935 -1.252 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -32.213 0.423 29.949 2 H2 GLY 1 2HT GLY 1 -33.873 0.215 29.648 3 H3 GLY 1 3HT GLY 1 -32.889 0.995 28.502 4 HA2 GLY 1 2HA GLY 1 -32.508 -1.829 29.325 5 HA3 GLY 1 1HA GLY 1 -33.473 -1.344 27.929 6 H SER 2 H SER 2 -30.360 -2.081 29.045 7 HA SER 2 HA SER 2 -28.900 -0.585 27.035 8 HB2 SER 2 2HB SER 2 -27.978 -2.781 28.901 9 HB3 SER 2 1HB SER 2 -26.936 -1.750 27.926 10 HG SER 2 HG SER 2 -27.204 -0.195 29.320 11 H MET 3 H MET 3 -28.736 -1.207 24.983 12 HA MET 3 HA MET 3 -28.365 -4.021 24.321 13 HB2 MET 3 2HB MET 3 -30.174 -3.962 22.595 14 HB3 MET 3 1HB MET 3 -30.781 -3.875 24.247 15 HG2 MET 3 2HG MET 3 -30.763 -1.328 23.964 16 HG3 MET 3 1HG MET 3 -30.521 -1.625 22.242 17 HE1 MET 3 3HE MET 3 -31.689 -3.559 21.173 18 HE2 MET 3 1HE MET 3 -32.703 -2.241 20.565 19 HE3 MET 3 2HE MET 3 -33.445 -3.722 21.163 20 H ALA 4 H ALA 4 -26.699 -1.641 24.197 21 HA ALA 4 HA ALA 4 -26.448 -1.173 21.294 22 HB1 ALA 4 1HB ALA 4 -25.149 0.764 21.853 23 HB2 ALA 4 2HB ALA 4 -25.020 0.263 23.539 24 HB3 ALA 4 3HB ALA 4 -26.575 0.779 22.890 25 H GLN 5 H GLN 5 -25.621 -3.693 22.578 26 HA GLN 5 HA GLN 5 -22.683 -3.565 22.371 27 HB2 GLN 5 2HB GLN 5 -23.832 -4.654 24.369 28 HB3 GLN 5 1HB GLN 5 -24.344 -5.926 23.257 29 HG2 GLN 5 2HG GLN 5 -22.047 -6.456 22.707 30 HG3 GLN 5 1HG GLN 5 -21.460 -5.076 23.634 31 HE21 GLN 5 1HE2 GLN 5 -22.172 -8.416 23.822 32 HE22 GLN 5 2HE2 GLN 5 -22.125 -8.566 25.520 33 H GLU 6 H GLU 6 -25.487 -5.413 21.167 34 HA GLU 6 HA GLU 6 -23.812 -6.396 18.928 35 HB2 GLU 6 2HB GLU 6 -25.085 -7.989 20.579 36 HB3 GLU 6 1HB GLU 6 -26.498 -7.542 19.624 37 HG2 GLU 6 2HG GLU 6 -25.075 -8.131 17.561 38 HG3 GLU 6 1HG GLU 6 -23.978 -8.918 18.694 39 H THR 7 H THR 7 -24.223 -5.665 16.938 40 HA THR 7 HA THR 7 -26.773 -4.231 16.451 41 HB THR 7 HB THR 7 -24.888 -2.707 16.316 42 HG1 THR 7 1HG THR 7 -25.274 -1.984 14.268 43 HG21 THR 7 3HG2 THR 7 -23.235 -3.260 14.320 44 HG22 THR 7 1HG2 THR 7 -23.697 -4.924 14.684 45 HG23 THR 7 2HG2 THR 7 -22.947 -3.926 15.929 46 H ASN 8 H ASN 8 -27.634 -4.370 14.259 47 HA ASN 8 HA ASN 8 -27.177 -7.042 13.097 48 HB2 ASN 8 2HB ASN 8 -29.482 -5.096 12.833 49 HB3 ASN 8 1HB ASN 8 -29.379 -6.638 11.982 50 HD21 ASN 8 1HD2 ASN 8 -28.703 -8.526 13.714 51 HD22 ASN 8 2HD2 ASN 8 -29.662 -8.523 15.124 52 H GLN 9 H GLN 9 -25.330 -4.843 12.603 53 HA GLN 9 HA GLN 9 -25.876 -3.970 9.871 54 HB2 GLN 9 2HB GLN 9 -24.799 -2.522 11.699 55 HB3 GLN 9 1HB GLN 9 -23.344 -3.483 11.430 56 HG2 GLN 9 2HG GLN 9 -23.605 -2.927 8.949 57 HG3 GLN 9 1HG GLN 9 -24.805 -1.734 9.442 58 HE21 GLN 9 1HE2 GLN 9 -23.688 -0.632 11.735 59 HE22 GLN 9 2HE2 GLN 9 -22.189 0.092 11.366 60 H THR 10 H THR 10 -25.470 -5.371 8.275 61 HA THR 10 HA THR 10 -23.423 -7.423 8.576 62 HB THR 10 HB THR 10 -24.249 -8.063 6.243 63 HG1 THR 10 1HG THR 10 -25.350 -6.477 5.406 64 HG21 THR 10 3HG2 THR 10 -26.144 -7.974 8.602 65 HG22 THR 10 1HG2 THR 10 -25.030 -9.276 8.179 66 HG23 THR 10 2HG2 THR 10 -26.425 -8.940 7.153 67 HA PRO 11 HA PRO 11 -20.396 -5.034 6.348 68 HB2 PRO 11 2HB PRO 11 -18.681 -6.984 5.539 69 HB3 PRO 11 1HB PRO 11 -18.823 -6.482 7.234 70 HG2 PRO 11 2HG PRO 11 -19.946 -8.870 5.867 71 HG3 PRO 11 1HG PRO 11 -19.268 -8.712 7.496 72 HD2 PRO 11 2HD PRO 11 -21.979 -8.758 6.944 73 HD3 PRO 11 1HD PRO 11 -21.269 -8.029 8.400 74 H GLY 12 H GLY 12 -20.030 -4.296 4.259 75 HA2 GLY 12 2HA GLY 12 -20.128 -5.777 1.889 76 HA3 GLY 12 1HA GLY 12 -21.748 -5.137 2.164 77 HA PRO 13 HA PRO 13 -20.314 -1.224 0.636 78 HB2 PRO 13 2HB PRO 13 -21.581 0.658 2.091 79 HB3 PRO 13 1HB PRO 13 -22.471 -0.488 1.063 80 HG2 PRO 13 2HG PRO 13 -22.129 -0.459 4.011 81 HG3 PRO 13 1HG PRO 13 -23.521 -0.964 3.033 82 HD2 PRO 13 2HD PRO 13 -21.612 -2.686 4.184 83 HD3 PRO 13 1HD PRO 13 -22.779 -3.123 2.916 84 H MET 14 H MET 14 -18.092 -1.889 1.595 85 HA MET 14 HA MET 14 -17.124 -0.571 3.935 86 HB2 MET 14 2HB MET 14 -15.757 -1.910 1.600 87 HB3 MET 14 1HB MET 14 -14.856 -1.161 2.918 88 HG2 MET 14 2HG MET 14 -16.367 -2.591 4.475 89 HG3 MET 14 1HG MET 14 -16.719 -3.527 3.021 90 HE1 MET 14 3HE MET 14 -14.188 -5.480 5.324 91 HE2 MET 14 1HE MET 14 -15.848 -4.872 5.254 92 HE3 MET 14 2HE MET 14 -14.593 -3.933 6.060 93 H LEU 15 H LEU 15 -17.439 1.633 3.882 94 HA LEU 15 HA LEU 15 -16.748 3.251 1.610 95 HB2 LEU 15 2HB LEU 15 -17.994 3.623 4.219 96 HB3 LEU 15 1HB LEU 15 -16.831 4.902 3.911 97 HG LEU 15 HG LEU 15 -19.098 5.499 3.122 98 HD11 LEU 15 1HD1 LEU 15 -16.860 5.185 1.154 99 HD12 LEU 15 2HD1 LEU 15 -17.445 6.644 1.937 100 HD13 LEU 15 3HD1 LEU 15 -18.387 5.897 0.647 101 HD21 LEU 15 3HD2 LEU 15 -20.305 4.271 1.547 102 HD22 LEU 15 1HD2 LEU 15 -19.530 2.977 2.463 103 HD23 LEU 15 2HD2 LEU 15 -18.864 3.480 0.909 104 H CYS 16 H CYS 16 -14.879 4.444 1.245 105 HA CYS 16 HA CYS 16 -12.407 3.566 1.844 106 HB2 CYS 16 2HB CYS 16 -13.051 5.458 0.282 107 HB3 CYS 16 1HB CYS 16 -12.971 6.528 1.687 108 H SER 17 H SER 17 -10.897 3.629 3.387 109 HA SER 17 HA SER 17 -11.580 4.055 6.085 110 HB2 SER 17 2HB SER 17 -8.900 3.782 4.717 111 HB3 SER 17 1HB SER 17 -9.090 3.851 6.469 112 HG SER 17 HG SER 17 -9.385 1.773 6.236 113 H THR 18 H THR 18 -10.295 6.274 3.698 114 HA THR 18 HA THR 18 -9.470 8.206 5.714 115 HB THR 18 HB THR 18 -8.666 9.532 3.834 116 HG1 THR 18 1HG THR 18 -9.944 9.270 2.165 117 HG21 THR 18 3HG2 THR 18 -7.192 7.689 2.758 118 HG22 THR 18 1HG2 THR 18 -8.014 6.587 3.858 119 HG23 THR 18 2HG2 THR 18 -7.067 7.929 4.500 120 H GLY 19 H GLY 19 -12.425 7.457 4.252 121 HA2 GLY 19 2HA GLY 19 -14.445 8.547 4.275 122 HA3 GLY 19 1HA GLY 19 -13.693 9.780 5.283 123 H CYS 20 H CYS 20 -12.796 8.777 1.986 124 HA CYS 20 HA CYS 20 -12.919 11.559 1.148 125 HB2 CYS 20 2HB CYS 20 -11.676 10.913 -0.785 126 HB3 CYS 20 1HB CYS 20 -10.976 10.047 0.578 127 H GLY 21 H GLY 21 -15.074 8.901 1.080 128 HA2 GLY 21 2HA GLY 21 -17.349 9.229 0.425 129 HA3 GLY 21 1HA GLY 21 -16.807 10.363 -0.801 130 H PHE 22 H PHE 22 -14.679 7.933 -1.221 131 HA PHE 22 HA PHE 22 -16.202 6.777 -3.409 132 HB2 PHE 22 2HB PHE 22 -13.284 6.742 -2.632 133 HB3 PHE 22 1HB PHE 22 -13.924 5.733 -3.929 134 HD1 PHE 22 1HD PHE 22 -14.212 9.319 -2.775 135 HD2 PHE 22 2HD PHE 22 -13.779 6.593 -6.070 136 HE1 PHE 22 1HE PHE 22 -14.133 11.233 -4.349 137 HE2 PHE 22 2HE PHE 22 -13.695 8.508 -7.641 138 HZ PHE 22 HZ PHE 22 -13.875 10.828 -6.783 139 H TYR 23 H TYR 23 -15.473 4.346 -3.818 140 HA TYR 23 HA TYR 23 -16.468 2.854 -1.502 141 HB2 TYR 23 2HB TYR 23 -17.168 2.642 -4.041 142 HB3 TYR 23 1HB TYR 23 -15.754 1.587 -4.124 143 HD1 TYR 23 2HD TYR 23 -18.529 2.169 -1.641 144 HD2 TYR 23 1HD TYR 23 -16.296 -0.667 -3.973 145 HE1 TYR 23 2HE TYR 23 -19.896 0.325 -0.707 146 HE2 TYR 23 1HE TYR 23 -17.669 -2.511 -3.046 147 HH TYR 23 HH TYR 23 -20.529 -2.149 -1.642 148 H GLY 24 H GLY 24 -15.284 1.465 -0.302 149 HA2 GLY 24 2HA GLY 24 -12.384 1.314 -0.851 150 HA3 GLY 24 1HA GLY 24 -13.153 1.031 0.711 151 H ASN 25 H ASN 25 -11.328 -0.604 -1.135 152 HA ASN 25 HA ASN 25 -13.008 -2.989 -1.542 153 HB2 ASN 25 2HB ASN 25 -11.214 -1.954 -3.232 154 HB3 ASN 25 1HB ASN 25 -10.113 -2.964 -2.297 155 HD21 ASN 25 1HD2 ASN 25 -13.334 -3.225 -3.926 156 HD22 ASN 25 2HD2 ASN 25 -13.085 -4.825 -4.463 157 HA PRO 26 HA PRO 26 -11.209 -4.654 2.205 158 HB2 PRO 26 2HB PRO 26 -12.094 -7.217 2.062 159 HB3 PRO 26 1HB PRO 26 -13.132 -5.842 2.474 160 HG2 PRO 26 2HG PRO 26 -12.872 -7.310 -0.091 161 HG3 PRO 26 1HG PRO 26 -14.318 -6.642 0.686 162 HD2 PRO 26 2HD PRO 26 -12.968 -5.418 -1.399 163 HD3 PRO 26 1HD PRO 26 -14.006 -4.563 -0.237 164 H ARG 27 H ARG 27 -10.518 -5.968 -0.967 165 HA ARG 27 HA ARG 27 -8.448 -7.780 -0.106 166 HB2 ARG 27 2HB ARG 27 -9.437 -6.735 -2.738 167 HB3 ARG 27 1HB ARG 27 -7.849 -7.495 -2.663 168 HG2 ARG 27 2HG ARG 27 -9.120 -9.377 -3.053 169 HG3 ARG 27 1HG ARG 27 -9.208 -9.349 -1.294 170 HD2 ARG 27 2HD ARG 27 -11.344 -8.058 -1.467 171 HD3 ARG 27 1HD ARG 27 -11.269 -8.233 -3.216 172 HE ARG 27 HE ARG 27 -11.075 -10.808 -2.289 173 HH11 ARG 27 1HH2 ARG 27 -13.401 -8.208 -1.826 174 HH12 ARG 27 2HH2 ARG 27 -14.716 -9.295 -1.545 175 HH21 ARG 27 1HH1 ARG 27 -12.818 -12.172 -1.913 176 HH22 ARG 27 2HH1 ARG 27 -14.392 -11.520 -1.600 177 H THR 28 H THR 28 -8.687 -4.421 -1.062 178 HA THR 28 HA THR 28 -5.807 -4.044 -1.239 179 HB THR 28 HB THR 28 -6.353 -1.690 -1.625 180 HG1 THR 28 1HG THR 28 -8.235 -0.878 -1.084 181 HG21 THR 28 3HG2 THR 28 -7.951 -1.945 -3.552 182 HG22 THR 28 1HG2 THR 28 -8.220 -3.611 -3.040 183 HG23 THR 28 2HG2 THR 28 -6.617 -3.099 -3.572 184 H ASN 29 H ASN 29 -5.863 -1.472 0.300 185 HA ASN 29 HA ASN 29 -5.591 -2.648 2.972 186 HB2 ASN 29 2HB ASN 29 -4.531 -0.207 1.617 187 HB3 ASN 29 1HB ASN 29 -4.726 -0.152 3.370 188 HD21 ASN 29 1HD2 ASN 29 -3.694 -2.860 1.195 189 HD22 ASN 29 2HD2 ASN 29 -2.225 -3.133 2.014 190 H GLY 30 H GLY 30 -8.294 -2.076 1.751 191 HA2 GLY 30 2HA GLY 30 -10.322 -1.461 2.680 192 HA3 GLY 30 1HA GLY 30 -9.451 -0.743 4.038 193 H MET 31 H MET 31 -8.335 0.220 0.898 194 HA MET 31 HA MET 31 -9.760 2.802 1.154 195 HB2 MET 31 2HB MET 31 -6.919 2.155 0.389 196 HB3 MET 31 1HB MET 31 -7.678 3.683 -0.065 197 HG2 MET 31 2HG MET 31 -8.022 4.304 2.208 198 HG3 MET 31 1HG MET 31 -7.658 2.677 2.783 199 HE1 MET 31 3HE MET 31 -4.605 4.036 4.319 200 HE2 MET 31 1HE MET 31 -5.401 2.472 4.110 201 HE3 MET 31 2HE MET 31 -6.355 3.907 4.472 202 H CYS 32 H CYS 32 -10.053 3.980 -0.819 203 HA CYS 32 HA CYS 32 -11.033 2.332 -2.941 204 HB2 CYS 32 2HB CYS 32 -11.832 4.395 -3.930 205 HB3 CYS 32 1HB CYS 32 -12.145 4.446 -2.198 206 H SER 33 H SER 33 -10.350 3.914 -5.235 207 HA SER 33 HA SER 33 -7.823 2.711 -5.869 208 HB2 SER 33 2HB SER 33 -9.988 3.371 -7.348 209 HB3 SER 33 1HB SER 33 -8.939 4.732 -7.728 210 HG SER 33 HG SER 33 -8.421 3.116 -9.143 211 H VAL 34 H VAL 34 -8.880 6.089 -5.412 212 HA VAL 34 HA VAL 34 -6.383 7.255 -6.130 213 HB VAL 34 HB VAL 34 -8.412 8.531 -4.289 214 HG11 VAL 34 1HG1 VAL 34 -6.176 9.620 -4.788 215 HG12 VAL 34 2HG1 VAL 34 -7.589 10.584 -5.215 216 HG13 VAL 34 3HG1 VAL 34 -6.694 9.729 -6.469 217 HG21 VAL 34 3HG2 VAL 34 -9.775 7.764 -6.099 218 HG22 VAL 34 1HG2 VAL 34 -8.530 8.142 -7.290 219 HG23 VAL 34 2HG2 VAL 34 -9.397 9.444 -6.474 220 H CYS 35 H CYS 35 -7.840 6.532 -2.987 221 HA CYS 35 HA CYS 35 -5.691 7.581 -1.437 222 HB2 CYS 35 2HB CYS 35 -7.930 5.699 -0.660 223 HB3 CYS 35 1HB CYS 35 -6.838 6.506 0.471 224 H TYR 36 H TYR 36 -6.502 4.316 -2.568 225 HA TYR 36 HA TYR 36 -4.685 2.930 -0.918 226 HB2 TYR 36 2HB TYR 36 -6.522 1.824 -2.120 227 HB3 TYR 36 1HB TYR 36 -5.702 2.124 -3.655 228 HD1 TYR 36 1HD TYR 36 -4.567 0.883 -0.274 229 HD2 TYR 36 2HD TYR 36 -4.785 0.169 -4.505 230 HE1 TYR 36 1HE TYR 36 -3.259 -1.196 0.010 231 HE2 TYR 36 2HE TYR 36 -3.473 -1.915 -4.219 232 HH TYR 36 HH TYR 36 -3.093 -3.478 -1.437 233 H LYS 37 H LYS 37 -4.185 4.474 -4.095 234 HA LYS 37 HA LYS 37 -1.526 3.402 -4.359 235 HB2 LYS 37 2HB LYS 37 -1.302 4.917 -6.277 236 HB3 LYS 37 1HB LYS 37 -2.817 4.024 -6.367 237 HG2 LYS 37 2HG LYS 37 -3.971 6.011 -5.351 238 HG3 LYS 37 1HG LYS 37 -2.455 6.898 -5.462 239 HD2 LYS 37 2HD LYS 37 -3.074 5.642 -8.016 240 HD3 LYS 37 1HD LYS 37 -4.438 6.609 -7.470 241 HE2 LYS 37 2HE LYS 37 -1.778 7.896 -7.180 242 HE3 LYS 37 1HE LYS 37 -2.326 7.637 -8.833 243 HZ1 LYS 37 3HZ LYS 37 -3.829 9.032 -6.687 244 HZ2 LYS 37 1HZ LYS 37 -4.426 8.722 -8.245 245 HZ3 LYS 37 2HZ LYS 37 -3.094 9.756 -8.036 246 H GLU 38 H GLU 38 -2.974 6.472 -3.359 247 HA GLU 38 HA GLU 38 -0.594 7.917 -2.905 248 HB2 GLU 38 2HB GLU 38 -3.350 8.148 -1.680 249 HB3 GLU 38 1HB GLU 38 -2.055 9.309 -1.385 250 HG2 GLU 38 2HG GLU 38 -2.956 8.554 -4.173 251 HG3 GLU 38 1HG GLU 38 -3.672 9.899 -3.278 252 H HIS 39 H HIS 39 -2.628 5.994 -0.665 253 HA HIS 39 HA HIS 39 -1.170 6.396 1.687 254 HB2 HIS 39 2HB HIS 39 -3.442 5.255 1.348 255 HB3 HIS 39 1HB HIS 39 -2.529 3.807 0.919 256 HD1 HIS 39 1HD HIS 39 -2.675 6.311 3.805 257 HD2 HIS 39 2HD HIS 39 -1.890 2.273 3.109 258 HE1 HIS 39 1HE HIS 39 -2.335 5.245 6.077 259 HE2 HIS 39 2HE HIS 39 -1.846 2.788 5.671 260 H LEU 40 H LEU 40 -0.856 3.848 -0.774 261 HA LEU 40 HA LEU 40 1.173 2.369 0.479 262 HB2 LEU 40 2HB LEU 40 -0.210 2.349 -2.047 263 HB3 LEU 40 1HB LEU 40 1.513 2.115 -2.344 264 HG LEU 40 HG LEU 40 1.472 0.332 -0.533 265 HD11 LEU 40 1HD1 LEU 40 -1.482 0.926 -0.769 266 HD12 LEU 40 2HD1 LEU 40 -0.500 0.839 0.695 267 HD13 LEU 40 3HD1 LEU 40 -0.892 -0.633 -0.195 268 HD21 LEU 40 3HD2 LEU 40 -0.420 -0.216 -2.837 269 HD22 LEU 40 1HD2 LEU 40 0.649 -1.363 -2.027 270 HD23 LEU 40 2HD2 LEU 40 1.328 -0.088 -3.037 271 H GLN 41 H GLN 41 1.401 5.375 -1.368 272 HA GLN 41 HA GLN 41 4.059 5.293 -2.203 273 HB2 GLN 41 2HB GLN 41 2.139 7.120 -2.449 274 HB3 GLN 41 1HB GLN 41 2.976 7.852 -1.081 275 HG2 GLN 41 2HG GLN 41 5.102 7.768 -2.357 276 HG3 GLN 41 1HG GLN 41 4.233 7.085 -3.736 277 HE21 GLN 41 1HE2 GLN 41 2.825 8.517 -4.963 278 HE22 GLN 41 2HE2 GLN 41 2.857 10.207 -4.738 279 H ARG 42 H ARG 42 2.729 6.028 0.978 280 HA ARG 42 HA ARG 42 5.310 6.748 2.077 281 HB2 ARG 42 2HB ARG 42 2.530 6.511 3.203 282 HB3 ARG 42 1HB ARG 42 3.928 6.735 4.257 283 HG2 ARG 42 2HG ARG 42 4.551 8.697 2.687 284 HG3 ARG 42 1HG ARG 42 2.892 8.580 2.105 285 HD2 ARG 42 2HD ARG 42 3.264 8.649 5.062 286 HD3 ARG 42 1HD ARG 42 3.596 10.135 4.189 287 HE ARG 42 HE ARG 42 1.338 10.271 3.569 288 HH11 ARG 42 1HH2 ARG 42 1.929 7.263 5.314 289 HH12 ARG 42 2HH2 ARG 42 0.248 6.967 5.563 290 HH21 ARG 42 1HH1 ARG 42 -0.822 9.815 3.929 291 HH22 ARG 42 2HH1 ARG 42 -1.290 8.388 4.792 292 H GLN 43 H GLN 43 3.282 3.898 1.897 293 HA GLN 43 HA GLN 43 4.475 2.395 3.998 294 HB2 GLN 43 2HB GLN 43 2.279 1.968 2.660 295 HB3 GLN 43 1HB GLN 43 3.335 1.132 1.523 296 HG2 GLN 43 2HG GLN 43 2.693 -0.585 2.986 297 HG3 GLN 43 1HG GLN 43 4.255 -0.085 3.632 298 HE21 GLN 43 1HE2 GLN 43 0.749 0.086 4.178 299 HE22 GLN 43 2HE2 GLN 43 0.857 0.613 5.788 300 H GLN 44 H GLN 44 5.190 2.690 0.536 301 HA GLN 44 HA GLN 44 7.168 0.658 0.457 302 HB2 GLN 44 2HB GLN 44 7.843 1.632 -1.705 303 HB3 GLN 44 1HB GLN 44 6.099 1.421 -1.590 304 HG2 GLN 44 2HG GLN 44 5.839 3.802 -1.023 305 HG3 GLN 44 1HG GLN 44 7.584 4.023 -1.105 306 HE21 GLN 44 1HE2 GLN 44 4.682 3.389 -3.059 307 HE22 GLN 44 2HE2 GLN 44 5.410 3.753 -4.560 308 H ASN 45 H ASN 45 7.406 4.151 1.069 309 HA ASN 45 HA ASN 45 10.283 4.148 1.112 310 HB2 ASN 45 2HB ASN 45 8.750 6.158 0.668 311 HB3 ASN 45 1HB ASN 45 8.528 6.218 2.415 312 HD21 ASN 45 1HD2 ASN 45 10.151 7.936 0.315 313 HD22 ASN 45 2HD2 ASN 45 11.659 8.120 1.092 314 H SER 46 H SER 46 7.734 4.177 3.605 315 HA SER 46 HA SER 46 9.553 4.188 5.814 316 HB2 SER 46 2HB SER 46 7.258 4.982 6.085 317 HB3 SER 46 1HB SER 46 6.634 3.386 5.674 318 HG SER 46 HG SER 46 7.249 2.643 7.581 319 H GLY 47 H GLY 47 7.443 1.612 4.490 320 HA2 GLY 47 2HA GLY 47 8.217 -0.619 4.075 321 HA3 GLY 47 1HA GLY 47 9.461 -0.384 5.299 322 H ARG 48 H ARG 48 8.158 0.500 7.473 323 HA ARG 48 HA ARG 48 5.913 -1.337 7.991 324 HB2 ARG 48 2HB ARG 48 8.447 -1.147 9.643 325 HB3 ARG 48 1HB ARG 48 6.979 -1.983 10.157 326 HG2 ARG 48 2HG ARG 48 7.114 -3.411 8.123 327 HG3 ARG 48 1HG ARG 48 8.629 -2.620 7.694 328 HD2 ARG 48 2HD ARG 48 9.667 -3.412 9.761 329 HD3 ARG 48 1HD ARG 48 8.143 -4.127 10.280 330 HE ARG 48 HE ARG 48 8.929 -5.145 7.728 331 HH11 ARG 48 1HH2 ARG 48 9.679 -5.441 11.154 332 HH12 ARG 48 2HH2 ARG 48 10.226 -7.073 10.991 333 HH21 ARG 48 1HH1 ARG 48 9.659 -7.258 7.589 334 HH22 ARG 48 2HH1 ARG 48 10.218 -8.089 9.003 335 H MET 49 H MET 49 4.460 0.356 8.161 336 HA MET 49 HA MET 49 5.037 2.657 9.828 337 HB2 MET 49 2HB MET 49 3.632 2.653 7.680 338 HB3 MET 49 1HB MET 49 2.351 1.943 8.663 339 HG2 MET 49 2HG MET 49 2.672 3.880 10.279 340 HG3 MET 49 1HG MET 49 3.699 4.623 9.055 341 HE1 MET 49 3HE MET 49 1.383 6.571 9.672 342 HE2 MET 49 1HE MET 49 1.131 6.908 7.952 343 HE3 MET 49 2HE MET 49 2.745 6.541 8.554 344 H SER 50 H SER 50 2.345 0.292 9.862 345 HA SER 50 HA SER 50 1.918 0.829 12.699 346 HB2 SER 50 2HB SER 50 0.414 -0.920 10.742 347 HB3 SER 50 1HB SER 50 -0.069 -0.620 12.409 348 HG SER 50 HG SER 50 0.154 1.222 10.265 349 HA PRO 51 HA PRO 51 4.023 -2.820 14.084 350 HB2 PRO 51 2HB PRO 51 2.658 -3.467 16.349 351 HB3 PRO 51 1HB PRO 51 3.710 -2.042 16.239 352 HG2 PRO 51 2HG PRO 51 0.744 -2.222 16.067 353 HG3 PRO 51 1HG PRO 51 1.759 -1.008 16.864 354 HD2 PRO 51 2HD PRO 51 0.583 -0.621 14.408 355 HD3 PRO 51 1HD PRO 51 2.074 0.197 14.923 356 H MET 52 H MET 52 3.482 -5.160 14.981 357 HA MET 52 HA MET 52 1.077 -6.265 13.698 358 HB2 MET 52 2HB MET 52 2.444 -8.090 12.686 359 HB3 MET 52 1HB MET 52 2.772 -6.509 11.985 360 HG2 MET 52 2HG MET 52 4.447 -7.418 14.305 361 HG3 MET 52 1HG MET 52 4.760 -8.123 12.722 362 HE1 MET 52 3HE MET 52 5.134 -6.248 10.415 363 HE2 MET 52 1HE MET 52 6.117 -7.450 11.263 364 HE3 MET 52 2HE MET 52 6.783 -5.860 10.901 365 H GLY 53 H GLY 53 0.940 -8.709 14.221 366 HA2 GLY 53 2HA GLY 53 2.039 -10.233 16.060 367 HA3 GLY 53 1HA GLY 53 1.374 -8.987 17.111 368 H THR 54 H THR 54 -1.050 -8.427 16.026 369 HA THR 54 HA THR 54 -2.488 -10.952 15.631 370 HB THR 54 HB THR 54 -4.130 -10.323 17.404 371 HG1 THR 54 1HG THR 54 -2.107 -8.449 18.067 372 HG21 THR 54 3HG2 THR 54 -2.771 -11.106 19.257 373 HG22 THR 54 1HG2 THR 54 -1.294 -10.622 18.424 374 HG23 THR 54 2HG2 THR 54 -2.267 -11.950 17.794 375 H ALA 55 H ALA 55 -3.647 -10.611 13.841 376 HA ALA 55 HA ALA 55 -4.888 -7.950 13.429 377 HB1 ALA 55 1HB ALA 55 -3.190 -8.550 11.729 378 HB2 ALA 55 2HB ALA 55 -4.804 -8.415 11.034 379 HB3 ALA 55 3HB ALA 55 -4.110 -10.006 11.344 380 H SER 56 H SER 56 -6.725 -8.561 14.693 381 HA SER 56 HA SER 56 -8.725 -9.998 13.138 382 HB2 SER 56 2HB SER 56 -9.364 -11.442 15.045 383 HB3 SER 56 1HB SER 56 -7.744 -11.804 14.456 384 HG SER 56 HG SER 56 -8.421 -11.209 16.894 385 H GLY 57 H GLY 57 -8.023 -8.493 16.300 386 HA2 GLY 57 2HA GLY 57 -9.041 -6.552 17.165 387 HA3 GLY 57 1HA GLY 57 -10.300 -6.691 15.940 388 H SER 58 H SER 58 -9.036 -8.702 18.623 389 HA SER 58 HA SER 58 -11.696 -9.710 19.204 390 HB2 SER 58 2HB SER 58 -9.030 -10.159 20.563 391 HB3 SER 58 1HB SER 58 -10.527 -10.974 21.002 392 HG SER 58 HG SER 58 -9.860 -12.334 19.523 393 H ASN 59 H ASN 59 -9.198 -8.072 21.182 394 HA ASN 59 HA ASN 59 -11.160 -7.272 23.149 395 HB2 ASN 59 2HB ASN 59 -8.206 -6.717 22.838 396 HB3 ASN 59 1HB ASN 59 -9.175 -6.088 24.171 397 HD21 ASN 59 1HD2 ASN 59 -10.273 -7.760 25.577 398 HD22 ASN 59 2HD2 ASN 59 -9.555 -9.290 25.735 399 H SER 60 H SER 60 -12.493 -5.617 22.791 400 HA SER 60 HA SER 60 -11.887 -3.538 20.879 401 HB2 SER 60 2HB SER 60 -14.206 -4.593 21.533 402 HB3 SER 60 1HB SER 60 -14.176 -3.384 22.811 403 HG SER 60 HG SER 60 -15.120 -2.445 21.044 404 HA PRO 61 HA PRO 61 -10.143 -0.735 23.867 405 HB2 PRO 61 2HB PRO 61 -10.324 1.622 22.544 406 HB3 PRO 61 1HB PRO 61 -9.219 0.331 22.032 407 HG2 PRO 61 2HG PRO 61 -11.843 1.134 20.900 408 HG3 PRO 61 1HG PRO 61 -10.381 0.566 20.077 409 HD2 PRO 61 2HD PRO 61 -12.607 -1.016 20.631 410 HD3 PRO 61 1HD PRO 61 -10.979 -1.636 20.286 411 H THR 62 H THR 62 -10.676 0.932 25.381 412 HA THR 62 HA THR 62 -13.556 1.220 25.829 413 HB THR 62 HB THR 62 -12.737 2.220 28.032 414 HG1 THR 62 1HG THR 62 -10.685 2.709 27.822 415 HG21 THR 62 3HG2 THR 62 -11.876 -0.120 28.786 416 HG22 THR 62 1HG2 THR 62 -12.221 -0.603 27.125 417 HG23 THR 62 2HG2 THR 62 -13.518 0.009 28.153 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -31.416 3.642 0.015 2 H2 GLY 1 2HT GLY 1 -31.195 4.040 1.652 3 H3 GLY 1 3HT GLY 1 -32.621 4.492 0.850 4 HA2 GLY 1 2HA GLY 1 -31.796 1.674 1.257 5 HA3 GLY 1 1HA GLY 1 -32.876 2.541 2.349 6 H SER 2 H SER 2 -32.892 0.410 -0.112 7 HA SER 2 HA SER 2 -35.142 1.487 -1.622 8 HB2 SER 2 2HB SER 2 -33.913 -1.269 -1.802 9 HB3 SER 2 1HB SER 2 -34.923 -0.465 -3.001 10 HG SER 2 HG SER 2 -32.554 -0.403 -3.313 11 H MET 3 H MET 3 -34.520 -1.487 0.271 12 HA MET 3 HA MET 3 -37.416 -1.766 0.725 13 HB2 MET 3 2HB MET 3 -36.819 -4.037 1.567 14 HB3 MET 3 1HB MET 3 -36.327 -3.772 -0.105 15 HG2 MET 3 2HG MET 3 -34.038 -3.458 0.521 16 HG3 MET 3 1HG MET 3 -34.450 -3.338 2.231 17 HE1 MET 3 3HE MET 3 -32.859 -5.796 -0.259 18 HE2 MET 3 1HE MET 3 -34.411 -5.244 -0.902 19 HE3 MET 3 2HE MET 3 -34.175 -6.943 -0.498 20 H ALA 4 H ALA 4 -38.168 -2.330 2.898 21 HA ALA 4 HA ALA 4 -36.681 -0.823 4.951 22 HB1 ALA 4 1HB ALA 4 -39.558 -1.750 5.049 23 HB2 ALA 4 2HB ALA 4 -39.060 -0.196 4.381 24 HB3 ALA 4 3HB ALA 4 -38.777 -0.553 6.084 25 H GLN 5 H GLN 5 -35.833 -3.468 4.230 26 HA GLN 5 HA GLN 5 -36.592 -5.055 6.611 27 HB2 GLN 5 2HB GLN 5 -36.921 -6.017 4.267 28 HB3 GLN 5 1HB GLN 5 -35.161 -6.079 4.159 29 HG2 GLN 5 2HG GLN 5 -35.003 -7.583 6.006 30 HG3 GLN 5 1HG GLN 5 -36.683 -7.310 6.463 31 HE21 GLN 5 1HE2 GLN 5 -34.572 -9.064 4.257 32 HE22 GLN 5 2HE2 GLN 5 -35.800 -10.019 3.555 33 H GLU 6 H GLU 6 -33.862 -3.829 4.710 34 HA GLU 6 HA GLU 6 -31.859 -4.962 6.444 35 HB2 GLU 6 2HB GLU 6 -31.558 -4.380 3.979 36 HB3 GLU 6 1HB GLU 6 -31.473 -2.693 4.489 37 HG2 GLU 6 2HG GLU 6 -29.583 -3.217 5.970 38 HG3 GLU 6 1HG GLU 6 -29.677 -4.915 5.506 39 H THR 7 H THR 7 -30.818 -4.030 8.143 40 HA THR 7 HA THR 7 -32.014 -1.666 9.320 41 HB THR 7 HB THR 7 -30.246 -2.140 11.118 42 HG1 THR 7 1HG THR 7 -28.799 -3.490 10.441 43 HG21 THR 7 3HG2 THR 7 -32.307 -4.226 10.355 44 HG22 THR 7 1HG2 THR 7 -32.558 -2.825 11.397 45 HG23 THR 7 2HG2 THR 7 -31.511 -4.143 11.927 46 H ASN 8 H ASN 8 -30.335 -0.119 10.427 47 HA ASN 8 HA ASN 8 -28.909 1.193 8.294 48 HB2 ASN 8 2HB ASN 8 -30.153 2.318 10.226 49 HB3 ASN 8 1HB ASN 8 -28.771 1.881 11.228 50 HD21 ASN 8 1HD2 ASN 8 -26.635 2.828 10.614 51 HD22 ASN 8 2HD2 ASN 8 -26.586 4.268 9.701 52 H GLN 9 H GLN 9 -27.949 -0.249 11.419 53 HA GLN 9 HA GLN 9 -25.135 -0.103 10.730 54 HB2 GLN 9 2HB GLN 9 -26.669 -1.153 13.105 55 HB3 GLN 9 1HB GLN 9 -24.927 -1.376 12.942 56 HG2 GLN 9 2HG GLN 9 -26.258 1.332 12.728 57 HG3 GLN 9 1HG GLN 9 -25.643 0.688 14.249 58 HE21 GLN 9 1HE2 GLN 9 -23.231 -0.131 14.050 59 HE22 GLN 9 2HE2 GLN 9 -22.187 0.875 13.150 60 H THR 10 H THR 10 -24.474 -1.480 9.185 61 HA THR 10 HA THR 10 -24.660 -4.332 9.686 62 HB THR 10 HB THR 10 -25.639 -3.296 7.027 63 HG1 THR 10 1HG THR 10 -27.599 -3.196 7.805 64 HG21 THR 10 3HG2 THR 10 -25.635 -5.959 8.452 65 HG22 THR 10 1HG2 THR 10 -24.918 -5.556 6.891 66 HG23 THR 10 2HG2 THR 10 -26.672 -5.640 7.060 67 HA PRO 11 HA PRO 11 -20.630 -3.732 7.804 68 HB2 PRO 11 2HB PRO 11 -19.839 -6.336 7.551 69 HB3 PRO 11 1HB PRO 11 -19.854 -5.475 9.101 70 HG2 PRO 11 2HG PRO 11 -21.790 -7.446 8.014 71 HG3 PRO 11 1HG PRO 11 -21.212 -7.221 9.674 72 HD2 PRO 11 2HD PRO 11 -23.654 -6.316 8.763 73 HD3 PRO 11 1HD PRO 11 -22.784 -5.606 10.139 74 H GLY 12 H GLY 12 -20.288 -3.192 5.721 75 HA2 GLY 12 2HA GLY 12 -20.231 -4.852 3.523 76 HA3 GLY 12 1HA GLY 12 -21.884 -4.242 3.585 77 HA PRO 13 HA PRO 13 -20.605 -0.370 1.846 78 HB2 PRO 13 2HB PRO 13 -21.346 1.652 3.539 79 HB3 PRO 13 1HB PRO 13 -22.499 0.712 2.568 80 HG2 PRO 13 2HG PRO 13 -21.837 0.501 5.453 81 HG3 PRO 13 1HG PRO 13 -23.387 0.279 4.622 82 HD2 PRO 13 2HD PRO 13 -21.783 -1.796 5.493 83 HD3 PRO 13 1HD PRO 13 -22.981 -1.938 4.187 84 H MET 14 H MET 14 -18.341 -1.325 2.479 85 HA MET 14 HA MET 14 -16.834 0.001 4.518 86 HB2 MET 14 2HB MET 14 -16.280 -1.969 2.352 87 HB3 MET 14 1HB MET 14 -14.905 -1.044 2.952 88 HG2 MET 14 2HG MET 14 -15.746 -1.690 5.311 89 HG3 MET 14 1HG MET 14 -16.730 -2.898 4.486 90 HE1 MET 14 3HE MET 14 -13.856 -5.000 5.997 91 HE2 MET 14 1HE MET 14 -15.588 -4.980 5.639 92 HE3 MET 14 2HE MET 14 -14.874 -3.708 6.629 93 H LEU 15 H LEU 15 -17.233 2.235 4.062 94 HA LEU 15 HA LEU 15 -16.367 3.418 1.592 95 HB2 LEU 15 2HB LEU 15 -17.418 4.447 4.196 96 HB3 LEU 15 1HB LEU 15 -16.536 5.566 3.157 97 HG LEU 15 HG LEU 15 -18.814 3.848 2.143 98 HD11 LEU 15 1HD1 LEU 15 -19.024 6.775 2.807 99 HD12 LEU 15 2HD1 LEU 15 -19.355 5.547 4.030 100 HD13 LEU 15 3HD1 LEU 15 -20.319 5.605 2.554 101 HD21 LEU 15 3HD2 LEU 15 -18.822 5.654 0.372 102 HD22 LEU 15 1HD2 LEU 15 -17.353 4.680 0.390 103 HD23 LEU 15 2HD2 LEU 15 -17.350 6.294 1.101 104 H CYS 16 H CYS 16 -14.576 4.738 1.221 105 HA CYS 16 HA CYS 16 -12.103 3.841 1.942 106 HB2 CYS 16 2HB CYS 16 -12.697 5.536 0.148 107 HB3 CYS 16 1HB CYS 16 -12.600 6.766 1.410 108 H SER 17 H SER 17 -10.714 3.973 3.530 109 HA SER 17 HA SER 17 -11.402 4.851 6.117 110 HB2 SER 17 2HB SER 17 -8.561 4.494 5.191 111 HB3 SER 17 1HB SER 17 -9.250 4.170 6.784 112 HG SER 17 HG SER 17 -9.331 2.205 5.964 113 H THR 18 H THR 18 -9.778 6.524 3.487 114 HA THR 18 HA THR 18 -8.766 8.656 5.138 115 HB THR 18 HB THR 18 -8.142 9.710 3.010 116 HG1 THR 18 1HG THR 18 -9.608 9.260 1.550 117 HG21 THR 18 3HG2 THR 18 -7.218 7.203 3.979 118 HG22 THR 18 1HG2 THR 18 -6.353 8.341 2.946 119 HG23 THR 18 2HG2 THR 18 -7.316 7.054 2.225 120 H GLY 19 H GLY 19 -11.887 7.965 3.946 121 HA2 GLY 19 2HA GLY 19 -13.841 9.171 4.081 122 HA3 GLY 19 1HA GLY 19 -12.929 10.466 4.857 123 H CYS 20 H CYS 20 -12.139 9.111 1.694 124 HA CYS 20 HA CYS 20 -12.146 11.706 0.503 125 HB2 CYS 20 2HB CYS 20 -11.476 10.576 -1.553 126 HB3 CYS 20 1HB CYS 20 -10.556 9.950 -0.184 127 H GLY 21 H GLY 21 -14.626 9.328 0.921 128 HA2 GLY 21 2HA GLY 21 -16.914 9.909 0.580 129 HA3 GLY 21 1HA GLY 21 -16.424 10.971 -0.733 130 H PHE 22 H PHE 22 -14.771 8.044 -1.092 131 HA PHE 22 HA PHE 22 -16.821 7.030 -2.962 132 HB2 PHE 22 2HB PHE 22 -13.804 7.023 -3.145 133 HB3 PHE 22 1HB PHE 22 -14.834 6.019 -4.174 134 HD1 PHE 22 2HD PHE 22 -16.563 7.113 -5.645 135 HD2 PHE 22 1HD PHE 22 -13.562 9.356 -3.546 136 HE1 PHE 22 2HE PHE 22 -16.982 9.058 -7.125 137 HE2 PHE 22 1HE PHE 22 -13.978 11.301 -5.025 138 HZ PHE 22 HZ PHE 22 -15.690 11.151 -6.811 139 H TYR 23 H TYR 23 -16.691 4.690 -3.391 140 HA TYR 23 HA TYR 23 -16.802 3.214 -0.963 141 HB2 TYR 23 2HB TYR 23 -18.182 2.784 -3.032 142 HB3 TYR 23 1HB TYR 23 -16.734 2.081 -3.761 143 HD1 TYR 23 2HD TYR 23 -18.501 1.890 -0.433 144 HD2 TYR 23 1HD TYR 23 -16.605 -0.217 -3.661 145 HE1 TYR 23 2HE TYR 23 -18.940 -0.266 0.709 146 HE2 TYR 23 1HE TYR 23 -17.042 -2.370 -2.514 147 HH TYR 23 HH TYR 23 -19.116 -2.983 -0.493 148 H GLY 24 H GLY 24 -15.518 1.566 -0.192 149 HA2 GLY 24 2HA GLY 24 -12.737 1.495 -1.228 150 HA3 GLY 24 1HA GLY 24 -13.190 1.213 0.457 151 H ASN 25 H ASN 25 -11.626 -0.650 -0.832 152 HA ASN 25 HA ASN 25 -13.501 -2.886 -1.373 153 HB2 ASN 25 2HB ASN 25 -11.713 -2.073 -3.150 154 HB3 ASN 25 1HB ASN 25 -10.610 -3.030 -2.158 155 HD21 ASN 25 1HD2 ASN 25 -13.469 -3.217 -4.256 156 HD22 ASN 25 2HD2 ASN 25 -13.437 -4.914 -4.432 157 HA PRO 26 HA PRO 26 -11.796 -4.509 2.433 158 HB2 PRO 26 2HB PRO 26 -12.823 -7.013 2.396 159 HB3 PRO 26 1HB PRO 26 -13.807 -5.570 2.703 160 HG2 PRO 26 2HG PRO 26 -13.507 -7.153 0.197 161 HG3 PRO 26 1HG PRO 26 -14.968 -6.450 0.922 162 HD2 PRO 26 2HD PRO 26 -13.600 -5.279 -1.156 163 HD3 PRO 26 1HD PRO 26 -14.580 -4.368 0.013 164 H ARG 27 H ARG 27 -11.208 -6.036 -0.673 165 HA ARG 27 HA ARG 27 -9.226 -7.895 0.284 166 HB2 ARG 27 2HB ARG 27 -9.907 -6.879 -2.483 167 HB3 ARG 27 1HB ARG 27 -8.695 -8.120 -2.157 168 HG2 ARG 27 2HG ARG 27 -10.417 -9.521 -1.080 169 HG3 ARG 27 1HG ARG 27 -11.630 -8.281 -1.412 170 HD2 ARG 27 2HD ARG 27 -11.147 -8.499 -3.840 171 HD3 ARG 27 1HD ARG 27 -10.009 -9.792 -3.477 172 HE ARG 27 HE ARG 27 -12.507 -10.433 -2.328 173 HH11 ARG 27 1HH2 ARG 27 -11.005 -10.142 -5.498 174 HH12 ARG 27 2HH2 ARG 27 -12.091 -11.270 -6.228 175 HH21 ARG 27 1HH1 ARG 27 -13.876 -11.902 -3.333 176 HH22 ARG 27 2HH1 ARG 27 -13.699 -12.258 -5.018 177 H THR 28 H THR 28 -9.307 -4.640 -1.078 178 HA THR 28 HA THR 28 -6.450 -4.339 -1.297 179 HB THR 28 HB THR 28 -6.982 -1.950 -1.645 180 HG1 THR 28 1HG THR 28 -8.577 -1.402 -0.367 181 HG21 THR 28 3HG2 THR 28 -8.482 -4.084 -3.074 182 HG22 THR 28 1HG2 THR 28 -7.347 -2.887 -3.701 183 HG23 THR 28 2HG2 THR 28 -9.014 -2.428 -3.354 184 H ASN 29 H ASN 29 -6.265 -1.755 0.198 185 HA ASN 29 HA ASN 29 -5.919 -2.887 2.860 186 HB2 ASN 29 2HB ASN 29 -4.839 -0.551 1.365 187 HB3 ASN 29 1HB ASN 29 -4.968 -0.374 3.115 188 HD21 ASN 29 1HD2 ASN 29 -4.109 -3.218 1.055 189 HD22 ASN 29 2HD2 ASN 29 -2.617 -3.503 1.827 190 H GLY 30 H GLY 30 -8.684 -2.313 1.856 191 HA2 GLY 30 2HA GLY 30 -10.614 -1.659 2.901 192 HA3 GLY 30 1HA GLY 30 -9.641 -0.925 4.174 193 H MET 31 H MET 31 -8.800 0.081 0.967 194 HA MET 31 HA MET 31 -10.446 2.520 1.245 195 HB2 MET 31 2HB MET 31 -7.521 2.422 0.460 196 HB3 MET 31 1HB MET 31 -8.527 3.872 0.578 197 HG2 MET 31 2HG MET 31 -8.978 3.080 3.018 198 HG3 MET 31 1HG MET 31 -7.560 2.065 2.788 199 HE1 MET 31 3HE MET 31 -6.216 3.718 4.973 200 HE2 MET 31 1HE MET 31 -4.873 3.979 3.852 201 HE3 MET 31 2HE MET 31 -5.841 2.512 3.748 202 H CYS 32 H CYS 32 -10.158 3.877 -0.868 203 HA CYS 32 HA CYS 32 -11.146 2.230 -2.985 204 HB2 CYS 32 2HB CYS 32 -11.680 4.290 -4.107 205 HB3 CYS 32 1HB CYS 32 -12.075 4.488 -2.412 206 H SER 33 H SER 33 -10.222 3.447 -5.265 207 HA SER 33 HA SER 33 -7.759 2.054 -5.645 208 HB2 SER 33 2HB SER 33 -8.033 3.498 -7.943 209 HB3 SER 33 1HB SER 33 -8.841 1.972 -7.613 210 HG SER 33 HG SER 33 -10.018 4.148 -8.198 211 H VAL 34 H VAL 34 -8.550 5.543 -5.733 212 HA VAL 34 HA VAL 34 -5.933 6.402 -6.350 213 HB VAL 34 HB VAL 34 -7.931 8.087 -4.839 214 HG11 VAL 34 1HG1 VAL 34 -6.870 9.804 -6.444 215 HG12 VAL 34 2HG1 VAL 34 -5.636 8.577 -6.736 216 HG13 VAL 34 3HG1 VAL 34 -5.871 9.221 -5.111 217 HG21 VAL 34 3HG2 VAL 34 -7.870 7.356 -7.783 218 HG22 VAL 34 1HG2 VAL 34 -8.710 8.777 -7.164 219 HG23 VAL 34 2HG2 VAL 34 -9.218 7.169 -6.660 220 H CYS 35 H CYS 35 -7.617 6.595 -3.193 221 HA CYS 35 HA CYS 35 -5.466 7.564 -1.706 222 HB2 CYS 35 2HB CYS 35 -7.715 5.772 -0.756 223 HB3 CYS 35 1HB CYS 35 -6.670 6.749 0.277 224 H TYR 36 H TYR 36 -6.313 4.245 -2.572 225 HA TYR 36 HA TYR 36 -4.629 2.851 -0.830 226 HB2 TYR 36 2HB TYR 36 -6.320 1.702 -2.141 227 HB3 TYR 36 1HB TYR 36 -5.494 2.133 -3.640 228 HD1 TYR 36 2HD TYR 36 -4.506 0.618 -0.326 229 HD2 TYR 36 1HD TYR 36 -4.341 0.372 -4.614 230 HE1 TYR 36 2HE TYR 36 -3.110 -1.422 -0.157 231 HE2 TYR 36 1HE TYR 36 -2.940 -1.665 -4.443 232 HH TYR 36 HH TYR 36 -1.262 -2.534 -1.963 233 H LYS 37 H LYS 37 -3.909 4.274 -3.998 234 HA LYS 37 HA LYS 37 -1.224 3.270 -4.068 235 HB2 LYS 37 2HB LYS 37 -2.795 4.105 -6.022 236 HB3 LYS 37 1HB LYS 37 -2.084 5.673 -5.644 237 HG2 LYS 37 2HG LYS 37 0.146 4.835 -6.039 238 HG3 LYS 37 1HG LYS 37 -0.447 3.179 -6.167 239 HD2 LYS 37 2HD LYS 37 -0.240 3.778 -8.420 240 HD3 LYS 37 1HD LYS 37 -1.935 4.135 -8.107 241 HE2 LYS 37 2HE LYS 37 -0.428 6.463 -7.394 242 HE3 LYS 37 1HE LYS 37 0.132 5.927 -8.976 243 HZ1 LYS 37 3HZ LYS 37 -2.707 6.350 -8.225 244 HZ2 LYS 37 1HZ LYS 37 -2.136 5.898 -9.756 245 HZ3 LYS 37 2HZ LYS 37 -1.763 7.433 -9.129 246 H GLU 38 H GLU 38 -2.751 6.390 -3.314 247 HA GLU 38 HA GLU 38 -0.468 7.912 -2.862 248 HB2 GLU 38 2HB GLU 38 -3.262 8.061 -1.777 249 HB3 GLU 38 1HB GLU 38 -2.024 9.186 -1.222 250 HG2 GLU 38 2HG GLU 38 -2.552 8.719 -4.159 251 HG3 GLU 38 1HG GLU 38 -3.435 9.936 -3.233 252 H HIS 39 H HIS 39 -2.160 5.747 -0.544 253 HA HIS 39 HA HIS 39 -0.300 6.567 1.543 254 HB2 HIS 39 2HB HIS 39 -1.564 5.339 3.092 255 HB3 HIS 39 1HB HIS 39 -2.729 6.076 2.002 256 HD1 HIS 39 1HD HIS 39 -4.576 4.513 1.561 257 HD2 HIS 39 2HD HIS 39 -0.984 2.465 1.934 258 HE1 HIS 39 1HE HIS 39 -5.142 2.047 1.440 259 HE2 HIS 39 2HE HIS 39 -2.950 0.788 1.628 260 H LEU 40 H LEU 40 -0.685 3.844 -0.621 261 HA LEU 40 HA LEU 40 1.115 2.045 0.620 262 HB2 LEU 40 2HB LEU 40 -0.483 1.493 -1.233 263 HB3 LEU 40 1HB LEU 40 0.597 2.331 -2.348 264 HG LEU 40 HG LEU 40 2.441 0.758 -1.444 265 HD11 LEU 40 1HD1 LEU 40 -0.043 -0.747 -0.562 266 HD12 LEU 40 2HD1 LEU 40 1.164 -0.045 0.512 267 HD13 LEU 40 3HD1 LEU 40 1.601 -1.386 -0.547 268 HD21 LEU 40 3HD2 LEU 40 1.041 0.659 -3.663 269 HD22 LEU 40 1HD2 LEU 40 0.261 -0.725 -2.898 270 HD23 LEU 40 2HD2 LEU 40 2.001 -0.745 -3.193 271 H GLN 41 H GLN 41 1.662 4.844 -1.434 272 HA GLN 41 HA GLN 41 4.350 4.310 -2.187 273 HB2 GLN 41 2HB GLN 41 2.713 6.092 -3.103 274 HB3 GLN 41 1HB GLN 41 3.278 7.088 -1.763 275 HG2 GLN 41 2HG GLN 41 5.628 6.721 -2.533 276 HG3 GLN 41 1HG GLN 41 4.998 5.836 -3.926 277 HE21 GLN 41 1HE2 GLN 41 2.838 7.399 -4.734 278 HE22 GLN 41 2HE2 GLN 41 3.380 8.960 -5.162 279 H ARG 42 H ARG 42 2.927 5.961 0.598 280 HA ARG 42 HA ARG 42 5.453 6.802 1.687 281 HB2 ARG 42 2HB ARG 42 2.696 6.640 2.927 282 HB3 ARG 42 1HB ARG 42 4.095 7.420 3.668 283 HG2 ARG 42 2HG ARG 42 4.253 8.795 1.490 284 HG3 ARG 42 1HG ARG 42 2.618 8.218 1.158 285 HD2 ARG 42 2HD ARG 42 3.431 9.643 3.708 286 HD3 ARG 42 1HD ARG 42 2.676 10.437 2.329 287 HE ARG 42 HE ARG 42 1.114 8.203 3.156 288 HH11 ARG 42 1HH2 ARG 42 1.924 11.485 4.145 289 HH12 ARG 42 2HH2 ARG 42 0.423 11.714 4.973 290 HH21 ARG 42 1HH1 ARG 42 -0.821 8.575 4.251 291 HH22 ARG 42 2HH1 ARG 42 -1.106 10.096 5.029 292 H GLN 43 H GLN 43 3.375 3.992 2.038 293 HA GLN 43 HA GLN 43 4.672 3.003 4.412 294 HB2 GLN 43 2HB GLN 43 2.354 2.353 2.847 295 HB3 GLN 43 1HB GLN 43 3.323 0.893 3.007 296 HG2 GLN 43 2HG GLN 43 1.941 0.871 4.920 297 HG3 GLN 43 1HG GLN 43 3.473 1.508 5.519 298 HE21 GLN 43 1HE2 GLN 43 3.347 3.474 6.622 299 HE22 GLN 43 2HE2 GLN 43 2.033 4.539 6.544 300 H GLN 44 H GLN 44 4.947 2.412 0.930 301 HA GLN 44 HA GLN 44 6.822 0.249 1.207 302 HB2 GLN 44 2HB GLN 44 5.918 1.944 -1.117 303 HB3 GLN 44 1HB GLN 44 7.170 0.713 -1.282 304 HG2 GLN 44 2HG GLN 44 4.543 0.031 0.015 305 HG3 GLN 44 1HG GLN 44 4.685 0.049 -1.740 306 HE21 GLN 44 1HE2 GLN 44 5.754 -1.613 1.202 307 HE22 GLN 44 2HE2 GLN 44 6.457 -2.943 0.396 308 H ASN 45 H ASN 45 7.031 3.742 0.851 309 HA ASN 45 HA ASN 45 9.688 4.063 0.055 310 HB2 ASN 45 2HB ASN 45 7.921 5.856 0.333 311 HB3 ASN 45 1HB ASN 45 8.270 5.822 2.060 312 HD21 ASN 45 1HD2 ASN 45 10.113 6.071 -1.053 313 HD22 ASN 45 2HD2 ASN 45 11.215 7.228 -0.456 314 H SER 46 H SER 46 8.395 3.184 3.201 315 HA SER 46 HA SER 46 10.608 3.791 4.834 316 HB2 SER 46 2HB SER 46 8.418 1.737 5.049 317 HB3 SER 46 1HB SER 46 9.682 1.869 6.267 318 HG SER 46 HG SER 46 7.705 3.728 5.507 319 H GLY 47 H GLY 47 9.696 0.539 3.643 320 HA2 GLY 47 2HA GLY 47 10.981 -1.249 2.972 321 HA3 GLY 47 1HA GLY 47 12.305 -0.117 2.719 322 H ARG 48 H ARG 48 10.480 -1.492 5.473 323 HA ARG 48 HA ARG 48 12.707 -1.302 7.268 324 HB2 ARG 48 2HB ARG 48 10.034 -2.697 7.411 325 HB3 ARG 48 1HB ARG 48 11.224 -2.807 8.709 326 HG2 ARG 48 2HG ARG 48 11.199 -0.422 9.037 327 HG3 ARG 48 1HG ARG 48 10.225 -0.177 7.588 328 HD2 ARG 48 2HD ARG 48 8.490 -1.712 8.758 329 HD3 ARG 48 1HD ARG 48 9.401 -1.374 10.226 330 HE ARG 48 HE ARG 48 8.739 1.033 8.812 331 HH11 ARG 48 1HH2 ARG 48 7.398 -1.382 10.992 332 HH12 ARG 48 2HH2 ARG 48 6.230 -0.289 11.645 333 HH21 ARG 48 1HH1 ARG 48 7.198 2.399 9.696 334 HH22 ARG 48 2HH1 ARG 48 6.116 1.827 10.922 335 H MET 49 H MET 49 13.864 -3.065 8.235 336 HA MET 49 HA MET 49 14.153 -5.389 6.422 337 HB2 MET 49 2HB MET 49 16.129 -3.861 8.100 338 HB3 MET 49 1HB MET 49 16.468 -5.509 7.569 339 HG2 MET 49 2HG MET 49 15.970 -4.776 5.213 340 HG3 MET 49 1HG MET 49 15.853 -3.119 5.808 341 HE1 MET 49 3HE MET 49 17.992 -5.618 4.189 342 HE2 MET 49 1HE MET 49 19.356 -4.521 3.922 343 HE3 MET 49 2HE MET 49 17.719 -4.012 3.516 344 H SER 50 H SER 50 12.744 -6.828 7.339 345 HA SER 50 HA SER 50 13.600 -8.135 9.765 346 HB2 SER 50 2HB SER 50 11.996 -6.077 10.305 347 HB3 SER 50 1HB SER 50 10.749 -7.238 9.866 348 HG SER 50 HG SER 50 11.446 -7.193 12.137 349 HA PRO 51 HA PRO 51 11.874 -11.686 7.738 350 HB2 PRO 51 2HB PRO 51 10.453 -12.466 10.236 351 HB3 PRO 51 1HB PRO 51 11.644 -13.371 9.285 352 HG2 PRO 51 2HG PRO 51 12.263 -12.278 11.632 353 HG3 PRO 51 1HG PRO 51 13.427 -12.347 10.296 354 HD2 PRO 51 2HD PRO 51 11.853 -10.010 11.307 355 HD3 PRO 51 1HD PRO 51 13.503 -10.058 10.645 356 H MET 52 H MET 52 9.565 -13.029 7.800 357 HA MET 52 HA MET 52 7.480 -10.965 7.367 358 HB2 MET 52 2HB MET 52 6.456 -12.599 5.793 359 HB3 MET 52 1HB MET 52 8.065 -12.089 5.295 360 HG2 MET 52 2HG MET 52 9.047 -14.146 6.056 361 HG3 MET 52 1HG MET 52 7.561 -14.619 6.881 362 HE1 MET 52 3HE MET 52 8.930 -13.332 3.574 363 HE2 MET 52 1HE MET 52 8.473 -14.574 2.399 364 HE3 MET 52 2HE MET 52 9.630 -14.947 3.674 365 H GLY 53 H GLY 53 5.340 -11.405 8.027 366 HA2 GLY 53 2HA GLY 53 3.646 -12.401 9.262 367 HA3 GLY 53 1HA GLY 53 4.686 -13.801 9.498 368 H THR 54 H THR 54 5.516 -10.453 10.287 369 HA THR 54 HA THR 54 5.860 -11.255 13.106 370 HB THR 54 HB THR 54 6.846 -8.693 11.863 371 HG1 THR 54 1HG THR 54 7.696 -10.317 10.610 372 HG21 THR 54 3HG2 THR 54 6.871 -8.937 14.333 373 HG22 THR 54 1HG2 THR 54 8.499 -8.847 13.666 374 HG23 THR 54 2HG2 THR 54 7.835 -10.403 14.164 375 H ALA 55 H ALA 55 4.610 -10.438 14.683 376 HA ALA 55 HA ALA 55 2.380 -8.734 13.975 377 HB1 ALA 55 1HB ALA 55 1.902 -10.507 15.504 378 HB2 ALA 55 2HB ALA 55 1.823 -9.010 16.434 379 HB3 ALA 55 3HB ALA 55 3.243 -10.049 16.555 380 H SER 56 H SER 56 3.367 -6.759 13.419 381 HA SER 56 HA SER 56 3.962 -5.057 15.705 382 HB2 SER 56 2HB SER 56 6.156 -6.103 14.865 383 HB3 SER 56 1HB SER 56 5.933 -5.116 13.425 384 HG SER 56 HG SER 56 7.128 -3.939 14.891 385 H GLY 57 H GLY 57 4.621 -2.752 14.638 386 HA2 GLY 57 2HA GLY 57 4.123 -1.095 13.035 387 HA3 GLY 57 1HA GLY 57 3.036 -2.226 12.233 388 H SER 58 H SER 58 3.402 -0.153 15.084 389 HA SER 58 HA SER 58 0.515 0.358 15.043 390 HB2 SER 58 2HB SER 58 1.088 -1.528 16.686 391 HB3 SER 58 1HB SER 58 1.899 -0.292 17.643 392 HG SER 58 HG SER 58 -0.040 0.051 18.388 393 H ASN 59 H ASN 59 2.850 1.935 14.283 394 HA ASN 59 HA ASN 59 2.980 3.987 16.395 395 HB2 ASN 59 2HB ASN 59 5.063 3.033 15.218 396 HB3 ASN 59 1HB ASN 59 4.552 3.990 13.828 397 HD21 ASN 59 1HD2 ASN 59 5.869 4.174 17.092 398 HD22 ASN 59 2HD2 ASN 59 6.169 5.845 17.070 399 H SER 60 H SER 60 2.415 6.132 16.011 400 HA SER 60 HA SER 60 1.266 6.870 13.429 401 HB2 SER 60 2HB SER 60 -0.868 7.541 14.356 402 HB3 SER 60 1HB SER 60 -0.598 5.844 14.743 403 HG SER 60 HG SER 60 -0.470 8.119 16.391 404 HA PRO 61 HA PRO 61 3.008 10.760 14.675 405 HB2 PRO 61 2HB PRO 61 1.681 12.513 13.083 406 HB3 PRO 61 1HB PRO 61 2.863 11.354 12.444 407 HG2 PRO 61 2HG PRO 61 -0.106 11.248 12.399 408 HG3 PRO 61 1HG PRO 61 1.062 10.755 11.163 409 HD2 PRO 61 2HD PRO 61 -0.217 9.000 12.883 410 HD3 PRO 61 1HD PRO 61 1.326 8.661 12.070 411 H THR 62 H THR 62 2.694 12.385 16.170 412 HA THR 62 HA THR 62 -0.033 13.183 16.896 413 HB THR 62 HB THR 62 0.421 12.769 19.297 414 HG1 THR 62 1HG THR 62 2.703 11.437 18.268 415 HG21 THR 62 3HG2 THR 62 -0.692 11.084 17.708 416 HG22 THR 62 1HG2 THR 62 -0.073 10.451 19.234 417 HG23 THR 62 2HG2 THR 62 0.843 10.216 17.745 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -36.765 -19.213 14.509 2 H2 GLY 1 2HT GLY 1 -36.291 -19.820 12.995 3 H3 GLY 1 3HT GLY 1 -37.757 -18.975 13.155 4 HA2 GLY 1 2HA GLY 1 -35.060 -17.807 13.582 5 HA3 GLY 1 1HA GLY 1 -36.032 -17.602 12.125 6 H SER 2 H SER 2 -35.084 -15.671 14.258 7 HA SER 2 HA SER 2 -37.626 -14.726 15.378 8 HB2 SER 2 2HB SER 2 -36.034 -12.989 16.430 9 HB3 SER 2 1HB SER 2 -35.922 -14.653 16.996 10 HG SER 2 HG SER 2 -33.877 -14.244 16.510 11 H MET 3 H MET 3 -34.917 -13.490 13.402 12 HA MET 3 HA MET 3 -36.805 -11.804 11.928 13 HB2 MET 3 2HB MET 3 -35.192 -9.854 12.112 14 HB3 MET 3 1HB MET 3 -36.114 -10.216 13.566 15 HG2 MET 3 2HG MET 3 -33.470 -11.584 13.283 16 HG3 MET 3 1HG MET 3 -33.431 -9.849 13.585 17 HE1 MET 3 3HE MET 3 -32.616 -9.421 15.611 18 HE2 MET 3 1HE MET 3 -32.019 -11.060 15.911 19 HE3 MET 3 2HE MET 3 -32.926 -10.207 17.157 20 H ALA 4 H ALA 4 -36.413 -13.217 10.186 21 HA ALA 4 HA ALA 4 -33.682 -13.398 9.141 22 HB1 ALA 4 1HB ALA 4 -34.700 -14.947 7.484 23 HB2 ALA 4 2HB ALA 4 -36.273 -14.670 8.230 24 HB3 ALA 4 3HB ALA 4 -34.985 -15.452 9.149 25 H GLN 5 H GLN 5 -36.850 -12.057 8.312 26 HA GLN 5 HA GLN 5 -35.889 -10.986 5.784 27 HB2 GLN 5 2HB GLN 5 -38.519 -10.967 7.241 28 HB3 GLN 5 1HB GLN 5 -38.244 -9.892 5.871 29 HG2 GLN 5 2HG GLN 5 -39.191 -11.857 4.927 30 HG3 GLN 5 1HG GLN 5 -37.464 -11.973 4.594 31 HE21 GLN 5 1HE2 GLN 5 -39.687 -12.864 7.310 32 HE22 GLN 5 2HE2 GLN 5 -38.983 -14.397 7.561 33 H GLU 6 H GLU 6 -37.164 -9.636 8.841 34 HA GLU 6 HA GLU 6 -36.351 -6.956 8.124 35 HB2 GLU 6 2HB GLU 6 -37.489 -8.123 10.672 36 HB3 GLU 6 1HB GLU 6 -37.153 -6.408 10.432 37 HG2 GLU 6 2HG GLU 6 -38.887 -7.968 8.515 38 HG3 GLU 6 1HG GLU 6 -39.554 -7.200 9.954 39 H THR 7 H THR 7 -34.127 -6.905 7.922 40 HA THR 7 HA THR 7 -32.521 -7.665 10.285 41 HB THR 7 HB THR 7 -30.585 -7.481 8.708 42 HG1 THR 7 1HG THR 7 -31.060 -6.376 6.990 43 HG21 THR 7 3HG2 THR 7 -31.057 -9.567 7.541 44 HG22 THR 7 1HG2 THR 7 -32.790 -9.334 7.768 45 HG23 THR 7 2HG2 THR 7 -31.752 -9.639 9.160 46 H ASN 8 H ASN 8 -31.367 -6.157 11.395 47 HA ASN 8 HA ASN 8 -31.934 -3.354 10.808 48 HB2 ASN 8 2HB ASN 8 -30.719 -4.802 13.155 49 HB3 ASN 8 1HB ASN 8 -30.689 -3.043 13.027 50 HD21 ASN 8 1HD2 ASN 8 -32.362 -2.190 14.258 51 HD22 ASN 8 2HD2 ASN 8 -33.936 -2.840 14.353 52 H GLN 9 H GLN 9 -28.974 -5.093 11.829 53 HA GLN 9 HA GLN 9 -27.345 -3.132 10.389 54 HB2 GLN 9 2HB GLN 9 -26.688 -5.358 12.323 55 HB3 GLN 9 1HB GLN 9 -25.446 -4.460 11.452 56 HG2 GLN 9 2HG GLN 9 -26.703 -2.350 12.361 57 HG3 GLN 9 1HG GLN 9 -27.370 -3.477 13.542 58 HE21 GLN 9 1HE2 GLN 9 -24.244 -2.279 12.240 59 HE22 GLN 9 2HE2 GLN 9 -23.360 -2.596 13.664 60 H THR 10 H THR 10 -25.832 -3.705 8.786 61 HA THR 10 HA THR 10 -25.577 -6.375 7.796 62 HB THR 10 HB THR 10 -27.775 -6.025 6.873 63 HG1 THR 10 1HG THR 10 -27.213 -6.617 4.917 64 HG21 THR 10 3HG2 THR 10 -27.431 -3.413 6.971 65 HG22 THR 10 1HG2 THR 10 -28.492 -4.114 5.750 66 HG23 THR 10 2HG2 THR 10 -26.854 -3.627 5.318 67 HA PRO 11 HA PRO 11 -22.092 -3.673 6.580 68 HB2 PRO 11 2HB PRO 11 -20.157 -5.606 6.596 69 HB3 PRO 11 1HB PRO 11 -20.701 -4.761 8.056 70 HG2 PRO 11 2HG PRO 11 -21.354 -7.485 7.092 71 HG3 PRO 11 1HG PRO 11 -21.152 -6.882 8.744 72 HD2 PRO 11 2HD PRO 11 -23.606 -7.345 7.528 73 HD3 PRO 11 1HD PRO 11 -23.354 -6.270 8.919 74 H GLY 12 H GLY 12 -20.595 -3.697 4.699 75 HA2 GLY 12 2HA GLY 12 -20.285 -5.439 2.673 76 HA3 GLY 12 1HA GLY 12 -21.915 -4.835 2.373 77 HA PRO 13 HA PRO 13 -20.252 -1.122 0.629 78 HB2 PRO 13 2HB PRO 13 -21.312 1.037 1.892 79 HB3 PRO 13 1HB PRO 13 -22.285 -0.058 0.889 80 HG2 PRO 13 2HG PRO 13 -22.060 0.104 3.849 81 HG3 PRO 13 1HG PRO 13 -23.476 -0.230 2.835 82 HD2 PRO 13 2HD PRO 13 -22.011 -2.171 4.159 83 HD3 PRO 13 1HD PRO 13 -23.027 -2.479 2.732 84 H MET 14 H MET 14 -18.055 -1.671 1.393 85 HA MET 14 HA MET 14 -16.943 -0.437 3.725 86 HB2 MET 14 2HB MET 14 -15.702 -1.749 1.301 87 HB3 MET 14 1HB MET 14 -14.743 -1.079 2.618 88 HG2 MET 14 2HG MET 14 -16.946 -3.097 3.081 89 HG3 MET 14 1HG MET 14 -15.272 -3.567 2.784 90 HE1 MET 14 3HE MET 14 -16.713 -4.426 5.614 91 HE2 MET 14 1HE MET 14 -15.137 -4.302 6.409 92 HE3 MET 14 2HE MET 14 -15.246 -4.851 4.738 93 H LEU 15 H LEU 15 -17.301 1.790 3.664 94 HA LEU 15 HA LEU 15 -16.509 3.347 1.356 95 HB2 LEU 15 2HB LEU 15 -17.888 3.848 3.920 96 HB3 LEU 15 1HB LEU 15 -16.853 5.175 3.401 97 HG LEU 15 HG LEU 15 -19.143 5.470 2.548 98 HD11 LEU 15 1HD1 LEU 15 -18.573 6.076 0.365 99 HD12 LEU 15 2HD1 LEU 15 -17.526 4.675 0.142 100 HD13 LEU 15 3HD1 LEU 15 -17.000 6.017 1.158 101 HD21 LEU 15 3HD2 LEU 15 -19.445 2.867 2.415 102 HD22 LEU 15 1HD2 LEU 15 -18.812 3.065 0.779 103 HD23 LEU 15 2HD2 LEU 15 -20.288 3.902 1.262 104 H CYS 16 H CYS 16 -14.669 4.539 1.089 105 HA CYS 16 HA CYS 16 -12.238 3.753 1.988 106 HB2 CYS 16 2HB CYS 16 -12.836 5.510 0.215 107 HB3 CYS 16 1HB CYS 16 -12.768 6.678 1.536 108 H SER 17 H SER 17 -11.235 3.636 3.851 109 HA SER 17 HA SER 17 -12.171 4.615 6.290 110 HB2 SER 17 2HB SER 17 -9.282 3.988 5.662 111 HB3 SER 17 1HB SER 17 -10.071 3.937 7.239 112 HG SER 17 HG SER 17 -9.850 1.881 6.058 113 H THR 18 H THR 18 -10.314 6.305 3.859 114 HA THR 18 HA THR 18 -9.348 8.342 5.677 115 HB THR 18 HB THR 18 -8.513 9.459 3.688 116 HG1 THR 18 1HG THR 18 -9.327 9.074 1.799 117 HG21 THR 18 3HG2 THR 18 -7.399 7.331 4.644 118 HG22 THR 18 1HG2 THR 18 -6.920 7.843 3.026 119 HG23 THR 18 2HG2 THR 18 -8.060 6.514 3.228 120 H GLY 19 H GLY 19 -12.384 7.748 4.226 121 HA2 GLY 19 2HA GLY 19 -14.318 8.981 4.307 122 HA3 GLY 19 1HA GLY 19 -13.421 10.250 5.132 123 H CYS 20 H CYS 20 -12.766 8.871 1.909 124 HA CYS 20 HA CYS 20 -12.812 11.573 0.813 125 HB2 CYS 20 2HB CYS 20 -11.794 10.644 -1.180 126 HB3 CYS 20 1HB CYS 20 -10.944 10.043 0.241 127 H GLY 21 H GLY 21 -15.125 9.121 1.181 128 HA2 GLY 21 2HA GLY 21 -17.374 9.287 0.575 129 HA3 GLY 21 1HA GLY 21 -16.948 10.505 -0.613 130 H PHE 22 H PHE 22 -14.812 8.057 -1.205 131 HA PHE 22 HA PHE 22 -16.508 6.965 -3.331 132 HB2 PHE 22 2HB PHE 22 -13.522 7.156 -2.961 133 HB3 PHE 22 1HB PHE 22 -14.251 6.127 -4.197 134 HD1 PHE 22 2HD PHE 22 -15.671 7.135 -5.990 135 HD2 PHE 22 1HD PHE 22 -13.482 9.543 -3.185 136 HE1 PHE 22 2HE PHE 22 -15.937 9.104 -7.474 137 HE2 PHE 22 1HE PHE 22 -13.749 11.514 -4.668 138 HZ PHE 22 HZ PHE 22 -14.976 11.295 -6.813 139 H TYR 23 H TYR 23 -15.904 4.640 -3.930 140 HA TYR 23 HA TYR 23 -16.421 2.989 -1.615 141 HB2 TYR 23 2HB TYR 23 -17.357 2.750 -4.036 142 HB3 TYR 23 1HB TYR 23 -15.837 1.908 -4.355 143 HD1 TYR 23 1HD TYR 23 -18.771 1.961 -2.050 144 HD2 TYR 23 2HD TYR 23 -15.560 -0.349 -3.719 145 HE1 TYR 23 1HE TYR 23 -19.699 -0.083 -1.005 146 HE2 TYR 23 2HE TYR 23 -16.487 -2.396 -2.673 147 HH TYR 23 HH TYR 23 -17.979 -2.912 -0.655 148 H GLY 24 H GLY 24 -15.114 1.547 -0.633 149 HA2 GLY 24 2HA GLY 24 -12.271 1.468 -1.486 150 HA3 GLY 24 1HA GLY 24 -12.819 1.315 0.188 151 H ASN 25 H ASN 25 -11.179 -0.580 -1.260 152 HA ASN 25 HA ASN 25 -13.007 -2.866 -1.647 153 HB2 ASN 25 2HB ASN 25 -11.037 -2.151 -3.278 154 HB3 ASN 25 1HB ASN 25 -10.072 -3.102 -2.152 155 HD21 ASN 25 1HD2 ASN 25 -13.083 -3.348 -4.128 156 HD22 ASN 25 2HD2 ASN 25 -12.935 -5.027 -4.402 157 HA PRO 26 HA PRO 26 -11.691 -4.381 2.344 158 HB2 PRO 26 2HB PRO 26 -12.646 -6.937 2.216 159 HB3 PRO 26 1HB PRO 26 -13.666 -5.512 2.485 160 HG2 PRO 26 2HG PRO 26 -13.249 -7.098 0.014 161 HG3 PRO 26 1HG PRO 26 -14.717 -6.318 0.624 162 HD2 PRO 26 2HD PRO 26 -13.115 -5.267 -1.379 163 HD3 PRO 26 1HD PRO 26 -14.207 -4.307 -0.360 164 H ARG 27 H ARG 27 -10.823 -6.041 -0.641 165 HA ARG 27 HA ARG 27 -8.840 -7.757 0.546 166 HB2 ARG 27 2HB ARG 27 -9.608 -7.003 -2.256 167 HB3 ARG 27 1HB ARG 27 -8.076 -7.826 -1.967 168 HG2 ARG 27 2HG ARG 27 -10.587 -8.907 -0.718 169 HG3 ARG 27 1HG ARG 27 -10.246 -9.245 -2.415 170 HD2 ARG 27 2HD ARG 27 -8.217 -10.363 -1.897 171 HD3 ARG 27 1HD ARG 27 -8.182 -9.717 -0.260 172 HE ARG 27 HE ARG 27 -10.511 -11.334 -0.737 173 HH11 ARG 27 1HH2 ARG 27 -7.093 -11.486 0.091 174 HH12 ARG 27 2HH2 ARG 27 -7.242 -13.039 0.836 175 HH21 ARG 27 1HH1 ARG 27 -10.632 -13.348 0.246 176 HH22 ARG 27 2HH1 ARG 27 -9.218 -14.081 0.926 177 H THR 28 H THR 28 -8.928 -4.475 -0.637 178 HA THR 28 HA THR 28 -6.031 -4.200 -0.762 179 HB THR 28 HB THR 28 -6.506 -1.859 -1.334 180 HG1 THR 28 1HG THR 28 -8.296 -0.980 -0.723 181 HG21 THR 28 3HG2 THR 28 -6.681 -3.272 -3.228 182 HG22 THR 28 1HG2 THR 28 -8.138 -2.279 -3.272 183 HG23 THR 28 2HG2 THR 28 -8.220 -3.940 -2.688 184 H ASN 29 H ASN 29 -6.139 -1.478 0.565 185 HA ASN 29 HA ASN 29 -5.892 -2.425 3.322 186 HB2 ASN 29 2HB ASN 29 -4.916 -0.026 1.812 187 HB3 ASN 29 1HB ASN 29 -5.068 0.072 3.569 188 HD21 ASN 29 1HD2 ASN 29 -2.547 0.021 1.932 189 HD22 ASN 29 2HD2 ASN 29 -1.669 -1.326 2.503 190 H GLY 30 H GLY 30 -8.601 -2.049 2.049 191 HA2 GLY 30 2HA GLY 30 -10.651 -1.379 2.851 192 HA3 GLY 30 1HA GLY 30 -9.827 -0.607 4.207 193 H MET 31 H MET 31 -8.672 0.298 1.055 194 HA MET 31 HA MET 31 -10.218 2.822 1.190 195 HB2 MET 31 2HB MET 31 -7.345 2.456 0.303 196 HB3 MET 31 1HB MET 31 -8.246 3.975 0.307 197 HG2 MET 31 2HG MET 31 -8.522 3.801 2.755 198 HG3 MET 31 1HG MET 31 -7.600 2.297 2.750 199 HE1 MET 31 3HE MET 31 -6.468 4.131 4.700 200 HE2 MET 31 1HE MET 31 -4.760 4.174 4.238 201 HE3 MET 31 2HE MET 31 -5.677 2.675 4.099 202 H CYS 32 H CYS 32 -10.134 4.019 -0.921 203 HA CYS 32 HA CYS 32 -11.090 2.301 -3.018 204 HB2 CYS 32 2HB CYS 32 -11.656 4.380 -4.164 205 HB3 CYS 32 1HB CYS 32 -12.162 4.473 -2.481 206 H SER 33 H SER 33 -10.203 3.529 -5.347 207 HA SER 33 HA SER 33 -7.641 2.285 -5.636 208 HB2 SER 33 2HB SER 33 -9.688 2.852 -7.345 209 HB3 SER 33 1HB SER 33 -8.508 4.072 -7.816 210 HG SER 33 HG SER 33 -7.091 2.511 -8.331 211 H VAL 34 H VAL 34 -8.689 5.693 -5.669 212 HA VAL 34 HA VAL 34 -6.196 6.837 -6.321 213 HB VAL 34 HB VAL 34 -8.348 8.111 -4.607 214 HG11 VAL 34 1HG1 VAL 34 -6.223 9.230 -6.462 215 HG12 VAL 34 2HG1 VAL 34 -6.292 9.412 -4.709 216 HG13 VAL 34 3HG1 VAL 34 -7.506 10.190 -5.725 217 HG21 VAL 34 3HG2 VAL 34 -8.134 7.781 -7.609 218 HG22 VAL 34 1HG2 VAL 34 -9.158 9.001 -6.853 219 HG23 VAL 34 2HG2 VAL 34 -9.469 7.291 -6.567 220 H CYS 35 H CYS 35 -7.703 6.404 -3.121 221 HA CYS 35 HA CYS 35 -5.506 7.448 -1.658 222 HB2 CYS 35 2HB CYS 35 -7.764 5.663 -0.718 223 HB3 CYS 35 1HB CYS 35 -6.677 6.586 0.320 224 H TYR 36 H TYR 36 -6.419 4.177 -2.658 225 HA TYR 36 HA TYR 36 -4.661 2.797 -0.926 226 HB2 TYR 36 2HB TYR 36 -6.537 1.699 -2.067 227 HB3 TYR 36 1HB TYR 36 -5.715 1.893 -3.616 228 HD1 TYR 36 2HD TYR 36 -4.758 0.726 -0.156 229 HD2 TYR 36 1HD TYR 36 -4.719 -0.062 -4.383 230 HE1 TYR 36 2HE TYR 36 -3.539 -1.395 0.247 231 HE2 TYR 36 1HE TYR 36 -3.497 -2.180 -3.976 232 HH TYR 36 HH TYR 36 -3.341 -3.685 -1.111 233 H LYS 37 H LYS 37 -4.066 4.300 -4.112 234 HA LYS 37 HA LYS 37 -1.512 3.003 -4.377 235 HB2 LYS 37 2HB LYS 37 -1.182 4.534 -6.308 236 HB3 LYS 37 1HB LYS 37 -2.666 3.596 -6.409 237 HG2 LYS 37 2HG LYS 37 -3.985 5.507 -5.683 238 HG3 LYS 37 1HG LYS 37 -2.526 6.454 -5.402 239 HD2 LYS 37 2HD LYS 37 -3.231 7.172 -7.529 240 HD3 LYS 37 1HD LYS 37 -1.995 5.967 -7.896 241 HE2 LYS 37 2HE LYS 37 -3.808 4.247 -8.097 242 HE3 LYS 37 1HE LYS 37 -4.997 5.534 -7.895 243 HZ1 LYS 37 3HZ LYS 37 -4.438 4.915 -10.243 244 HZ2 LYS 37 1HZ LYS 37 -2.905 5.592 -9.989 245 HZ3 LYS 37 2HZ LYS 37 -4.292 6.565 -9.873 246 H GLU 38 H GLU 38 -2.641 6.239 -3.400 247 HA GLU 38 HA GLU 38 -0.076 7.400 -3.080 248 HB2 GLU 38 2HB GLU 38 -2.650 8.035 -1.615 249 HB3 GLU 38 1HB GLU 38 -1.214 9.053 -1.652 250 HG2 GLU 38 2HG GLU 38 -1.533 8.792 -4.292 251 HG3 GLU 38 1HG GLU 38 -3.204 8.494 -3.815 252 H HIS 39 H HIS 39 -2.243 5.725 -0.809 253 HA HIS 39 HA HIS 39 -0.717 5.991 1.528 254 HB2 HIS 39 2HB HIS 39 -3.120 5.141 1.200 255 HB3 HIS 39 1HB HIS 39 -2.389 3.577 0.837 256 HD1 HIS 39 1HD HIS 39 -2.410 6.185 3.613 257 HD2 HIS 39 2HD HIS 39 -1.785 2.097 3.081 258 HE1 HIS 39 1HE HIS 39 -2.189 5.189 5.926 259 HE2 HIS 39 2HE HIS 39 -1.751 2.707 5.624 260 H LEU 40 H LEU 40 -0.703 3.415 -0.938 261 HA LEU 40 HA LEU 40 1.170 1.748 0.376 262 HB2 LEU 40 2HB LEU 40 -0.309 1.734 -2.089 263 HB3 LEU 40 1HB LEU 40 1.371 1.331 -2.447 264 HG LEU 40 HG LEU 40 1.265 -0.350 -0.550 265 HD11 LEU 40 1HD1 LEU 40 -1.119 -1.080 0.006 266 HD12 LEU 40 2HD1 LEU 40 -1.657 0.437 -0.711 267 HD13 LEU 40 3HD1 LEU 40 -0.617 0.457 0.713 268 HD21 LEU 40 3HD2 LEU 40 -0.559 -0.612 -2.953 269 HD22 LEU 40 1HD2 LEU 40 -0.158 -1.970 -1.899 270 HD23 LEU 40 2HD2 LEU 40 1.113 -1.155 -2.812 271 H GLN 41 H GLN 41 1.611 4.540 -1.705 272 HA GLN 41 HA GLN 41 4.383 4.038 -2.268 273 HB2 GLN 41 2HB GLN 41 2.417 6.084 -2.919 274 HB3 GLN 41 1HB GLN 41 3.948 6.827 -2.460 275 HG2 GLN 41 2HG GLN 41 5.126 5.366 -4.083 276 HG3 GLN 41 1HG GLN 41 3.577 4.675 -4.568 277 HE21 GLN 41 1HE2 GLN 41 5.553 7.626 -4.692 278 HE22 GLN 41 2HE2 GLN 41 4.624 8.391 -5.901 279 H ARG 42 H ARG 42 2.615 5.631 0.315 280 HA ARG 42 HA ARG 42 4.889 6.933 1.489 281 HB2 ARG 42 2HB ARG 42 2.401 7.528 1.764 282 HB3 ARG 42 1HB ARG 42 2.357 6.221 2.948 283 HG2 ARG 42 2HG ARG 42 3.911 7.301 4.369 284 HG3 ARG 42 1HG ARG 42 4.447 8.395 3.095 285 HD2 ARG 42 2HD ARG 42 2.385 9.611 3.149 286 HD3 ARG 42 1HD ARG 42 1.621 8.392 4.165 287 HE ARG 42 HE ARG 42 3.394 10.508 5.036 288 HH11 ARG 42 1HH2 ARG 42 2.062 7.352 5.846 289 HH12 ARG 42 2HH2 ARG 42 2.402 7.527 7.528 290 HH21 ARG 42 1HH1 ARG 42 3.840 10.655 7.235 291 HH22 ARG 42 2HH1 ARG 42 3.397 9.366 8.306 292 H GLN 43 H GLN 43 3.338 3.798 1.847 293 HA GLN 43 HA GLN 43 4.670 3.088 4.285 294 HB2 GLN 43 2HB GLN 43 2.505 2.079 3.300 295 HB3 GLN 43 1HB GLN 43 3.586 1.089 2.316 296 HG2 GLN 43 2HG GLN 43 3.124 -0.178 4.304 297 HG3 GLN 43 1HG GLN 43 4.764 0.437 4.471 298 HE21 GLN 43 1HE2 GLN 43 1.382 1.320 5.354 299 HE22 GLN 43 2HE2 GLN 43 1.806 2.062 6.822 300 H GLN 44 H GLN 44 5.520 2.965 0.899 301 HA GLN 44 HA GLN 44 7.637 1.034 1.202 302 HB2 GLN 44 2HB GLN 44 6.950 2.948 -1.042 303 HB3 GLN 44 1HB GLN 44 8.180 1.689 -1.140 304 HG2 GLN 44 2HG GLN 44 5.518 0.752 -0.212 305 HG3 GLN 44 1HG GLN 44 5.558 1.353 -1.867 306 HE21 GLN 44 1HE2 GLN 44 6.172 -1.388 0.056 307 HE22 GLN 44 2HE2 GLN 44 7.068 -2.274 -1.086 308 H ASN 45 H ASN 45 7.336 4.485 1.590 309 HA ASN 45 HA ASN 45 9.997 5.260 1.046 310 HB2 ASN 45 2HB ASN 45 7.627 6.444 2.346 311 HB3 ASN 45 1HB ASN 45 9.163 7.087 2.918 312 HD21 ASN 45 1HD2 ASN 45 10.412 8.387 1.462 313 HD22 ASN 45 2HD2 ASN 45 9.835 8.844 -0.075 314 H SER 46 H SER 46 8.490 4.009 4.004 315 HA SER 46 HA SER 46 10.777 4.552 5.657 316 HB2 SER 46 2HB SER 46 9.637 3.164 7.328 317 HB3 SER 46 1HB SER 46 8.517 4.317 6.613 318 HG SER 46 HG SER 46 8.219 1.746 6.752 319 H GLY 47 H GLY 47 9.374 1.452 4.547 320 HA2 GLY 47 2HA GLY 47 10.333 -0.564 4.016 321 HA3 GLY 47 1HA GLY 47 11.715 0.373 3.467 322 H ARG 48 H ARG 48 10.262 -0.437 6.650 323 HA ARG 48 HA ARG 48 12.908 -0.713 7.823 324 HB2 ARG 48 2HB ARG 48 10.122 -0.546 8.810 325 HB3 ARG 48 1HB ARG 48 11.159 -1.618 9.746 326 HG2 ARG 48 2HG ARG 48 11.778 0.292 10.825 327 HG3 ARG 48 1HG ARG 48 12.825 0.537 9.431 328 HD2 ARG 48 2HD ARG 48 11.633 2.574 9.661 329 HD3 ARG 48 1HD ARG 48 10.823 1.728 8.345 330 HE ARG 48 HE ARG 48 9.402 0.926 10.502 331 HH11 ARG 48 1HH2 ARG 48 10.360 4.127 9.391 332 HH12 ARG 48 2HH2 ARG 48 8.997 4.897 10.124 333 HH21 ARG 48 1HH1 ARG 48 7.656 1.987 11.424 334 HH22 ARG 48 2HH1 ARG 48 7.484 3.703 11.260 335 H MET 49 H MET 49 13.252 -2.734 9.259 336 HA MET 49 HA MET 49 12.645 -5.114 7.608 337 HB2 MET 49 2HB MET 49 14.969 -4.477 9.434 338 HB3 MET 49 1HB MET 49 14.688 -6.072 8.735 339 HG2 MET 49 2HG MET 49 14.930 -5.244 6.507 340 HG3 MET 49 1HG MET 49 14.855 -3.566 7.051 341 HE1 MET 49 3HE MET 49 16.780 -5.428 5.295 342 HE2 MET 49 1HE MET 49 18.453 -4.989 5.667 343 HE3 MET 49 2HE MET 49 17.276 -3.738 5.277 344 H SER 50 H SER 50 10.714 -4.195 9.457 345 HA SER 50 HA SER 50 10.944 -6.029 11.753 346 HB2 SER 50 2HB SER 50 9.068 -3.745 11.134 347 HB3 SER 50 1HB SER 50 8.811 -4.853 12.478 348 HG SER 50 HG SER 50 11.099 -3.236 12.000 349 HA PRO 51 HA PRO 51 8.061 -8.806 9.834 350 HB2 PRO 51 2HB PRO 51 7.098 -10.175 11.956 351 HB3 PRO 51 1HB PRO 51 8.788 -10.317 11.436 352 HG2 PRO 51 2HG PRO 51 7.630 -8.811 13.715 353 HG3 PRO 51 1HG PRO 51 9.173 -9.671 13.593 354 HD2 PRO 51 2HD PRO 51 8.844 -6.899 13.340 355 HD3 PRO 51 1HD PRO 51 10.263 -7.822 12.799 356 H MET 52 H MET 52 5.689 -9.643 10.093 357 HA MET 52 HA MET 52 3.978 -7.291 10.344 358 HB2 MET 52 2HB MET 52 3.650 -10.044 9.182 359 HB3 MET 52 1HB MET 52 2.237 -9.042 9.512 360 HG2 MET 52 2HG MET 52 2.777 -8.479 7.291 361 HG3 MET 52 1HG MET 52 3.527 -7.186 8.226 362 HE1 MET 52 3HE MET 52 5.550 -8.816 4.973 363 HE2 MET 52 1HE MET 52 4.066 -7.931 5.349 364 HE3 MET 52 2HE MET 52 4.093 -9.690 5.439 365 H GLY 53 H GLY 53 1.655 -7.921 11.215 366 HA2 GLY 53 2HA GLY 53 0.321 -8.768 12.934 367 HA3 GLY 53 1HA GLY 53 1.704 -9.682 13.529 368 H THR 54 H THR 54 1.673 -6.214 12.845 369 HA THR 54 HA THR 54 2.048 -5.681 15.740 370 HB THR 54 HB THR 54 3.127 -3.973 13.498 371 HG1 THR 54 1HG THR 54 4.773 -5.264 13.347 372 HG21 THR 54 3HG2 THR 54 2.871 -3.035 15.816 373 HG22 THR 54 1HG2 THR 54 4.539 -3.074 15.246 374 HG23 THR 54 2HG2 THR 54 3.971 -4.289 16.390 375 H ALA 55 H ALA 55 0.191 -4.860 16.501 376 HA ALA 55 HA ALA 55 -1.443 -3.108 14.802 377 HB1 ALA 55 1HB ALA 55 -3.169 -3.400 16.496 378 HB2 ALA 55 2HB ALA 55 -2.030 -4.242 17.547 379 HB3 ALA 55 3HB ALA 55 -2.531 -4.976 16.024 380 H SER 56 H SER 56 0.211 -3.125 17.950 381 HA SER 56 HA SER 56 -0.449 -0.377 18.521 382 HB2 SER 56 2HB SER 56 1.714 -2.027 19.827 383 HB3 SER 56 1HB SER 56 0.848 -0.650 20.500 384 HG SER 56 HG SER 56 0.105 -2.786 21.178 385 H GLY 57 H GLY 57 1.116 1.344 18.732 386 HA2 GLY 57 2HA GLY 57 3.076 2.504 18.206 387 HA3 GLY 57 1HA GLY 57 3.693 1.060 17.407 388 H SER 58 H SER 58 0.882 3.240 17.003 389 HA SER 58 HA SER 58 1.719 3.891 14.290 390 HB2 SER 58 2HB SER 58 -0.985 2.624 14.758 391 HB3 SER 58 1HB SER 58 -0.279 3.101 13.216 392 HG SER 58 HG SER 58 0.110 0.849 14.721 393 H ASN 59 H ASN 59 -1.220 4.004 16.334 394 HA ASN 59 HA ASN 59 -1.687 6.768 15.543 395 HB2 ASN 59 2HB ASN 59 -3.753 6.548 16.922 396 HB3 ASN 59 1HB ASN 59 -3.629 5.324 15.663 397 HD21 ASN 59 1HD2 ASN 59 -4.376 5.698 18.906 398 HD22 ASN 59 2HD2 ASN 59 -4.048 4.120 19.438 399 H SER 60 H SER 60 -1.221 8.530 16.726 400 HA SER 60 HA SER 60 -0.907 8.430 19.590 401 HB2 SER 60 2HB SER 60 1.283 7.556 18.897 402 HB3 SER 60 1HB SER 60 1.525 8.960 17.860 403 HG SER 60 HG SER 60 2.304 8.829 20.252 404 HA PRO 61 HA PRO 61 -2.442 12.467 17.871 405 HB2 PRO 61 2HB PRO 61 -3.693 12.586 20.566 406 HB3 PRO 61 1HB PRO 61 -4.422 12.833 18.970 407 HG2 PRO 61 2HG PRO 61 -4.890 10.636 20.408 408 HG3 PRO 61 1HG PRO 61 -4.781 10.596 18.638 409 HD2 PRO 61 2HD PRO 61 -2.763 9.713 20.672 410 HD3 PRO 61 1HD PRO 61 -3.157 9.002 19.090 411 H THR 62 H THR 62 -2.074 14.686 18.626 412 HA THR 62 HA THR 62 -0.554 15.189 21.007 413 HB THR 62 HB THR 62 1.248 14.231 19.685 414 HG1 THR 62 1HG THR 62 1.458 17.059 19.661 415 HG21 THR 62 3HG2 THR 62 0.746 16.377 17.612 416 HG22 THR 62 1HG2 THR 62 0.126 14.732 17.455 417 HG23 THR 62 2HG2 THR 62 1.865 15.018 17.510 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -19.210 -30.915 -14.549 2 H2 GLY 1 2HT GLY 1 -17.558 -30.850 -14.937 3 H3 GLY 1 3HT GLY 1 -18.661 -31.552 -16.022 4 HA2 GLY 1 2HA GLY 1 -17.860 -29.225 -16.565 5 HA3 GLY 1 1HA GLY 1 -19.600 -29.513 -16.608 6 H SER 2 H SER 2 -17.008 -28.516 -14.360 7 HA SER 2 HA SER 2 -18.954 -26.742 -12.995 8 HB2 SER 2 2HB SER 2 -17.991 -28.536 -11.572 9 HB3 SER 2 1HB SER 2 -16.380 -27.909 -11.907 10 HG SER 2 HG SER 2 -17.611 -27.168 -9.934 11 H MET 3 H MET 3 -18.669 -24.630 -13.326 12 HA MET 3 HA MET 3 -16.193 -23.663 -14.539 13 HB2 MET 3 2HB MET 3 -18.855 -22.344 -13.973 14 HB3 MET 3 1HB MET 3 -17.477 -21.498 -14.675 15 HG2 MET 3 2HG MET 3 -17.439 -23.052 -16.563 16 HG3 MET 3 1HG MET 3 -18.755 -23.985 -15.848 17 HE1 MET 3 3HE MET 3 -18.862 -22.425 -18.966 18 HE2 MET 3 1HE MET 3 -20.613 -22.557 -18.761 19 HE3 MET 3 2HE MET 3 -19.553 -23.823 -18.149 20 H ALA 4 H ALA 4 -15.673 -21.270 -13.694 21 HA ALA 4 HA ALA 4 -15.648 -21.243 -10.748 22 HB1 ALA 4 1HB ALA 4 -13.528 -22.144 -11.067 23 HB2 ALA 4 2HB ALA 4 -13.179 -20.415 -11.058 24 HB3 ALA 4 3HB ALA 4 -13.279 -21.287 -12.587 25 H GLN 5 H GLN 5 -17.199 -19.704 -12.660 26 HA GLN 5 HA GLN 5 -16.092 -16.992 -12.180 27 HB2 GLN 5 2HB GLN 5 -17.739 -18.054 -14.483 28 HB3 GLN 5 1HB GLN 5 -17.530 -16.331 -14.168 29 HG2 GLN 5 2HG GLN 5 -15.803 -16.817 -15.693 30 HG3 GLN 5 1HG GLN 5 -14.993 -16.861 -14.128 31 HE21 GLN 5 1HE2 GLN 5 -16.796 -19.143 -16.279 32 HE22 GLN 5 2HE2 GLN 5 -15.739 -20.453 -15.999 33 H GLU 6 H GLU 6 -17.677 -18.507 -10.302 34 HA GLU 6 HA GLU 6 -20.411 -17.630 -10.419 35 HB2 GLU 6 2HB GLU 6 -18.761 -18.802 -8.169 36 HB3 GLU 6 1HB GLU 6 -20.490 -18.475 -8.063 37 HG2 GLU 6 2HG GLU 6 -21.001 -20.060 -9.765 38 HG3 GLU 6 1HG GLU 6 -19.312 -20.181 -10.261 39 H THR 7 H THR 7 -21.432 -16.059 -9.145 40 HA THR 7 HA THR 7 -19.836 -13.718 -8.609 41 HB THR 7 HB THR 7 -22.053 -13.457 -9.586 42 HG1 THR 7 1HG THR 7 -22.641 -11.815 -8.311 43 HG21 THR 7 3HG2 THR 7 -22.940 -14.919 -7.096 44 HG22 THR 7 1HG2 THR 7 -23.301 -15.305 -8.779 45 HG23 THR 7 2HG2 THR 7 -24.048 -13.902 -8.016 46 H ASN 8 H ASN 8 -19.620 -12.644 -6.598 47 HA ASN 8 HA ASN 8 -20.159 -14.289 -4.196 48 HB2 ASN 8 2HB ASN 8 -17.732 -14.348 -5.021 49 HB3 ASN 8 1HB ASN 8 -17.649 -12.651 -4.554 50 HD21 ASN 8 1HD2 ASN 8 -17.376 -12.177 -2.332 51 HD22 ASN 8 2HD2 ASN 8 -17.361 -13.369 -1.110 52 H GLN 9 H GLN 9 -21.709 -12.102 -5.279 53 HA GLN 9 HA GLN 9 -21.112 -9.679 -3.871 54 HB2 GLN 9 2HB GLN 9 -23.650 -10.655 -5.199 55 HB3 GLN 9 1HB GLN 9 -23.435 -9.034 -4.538 56 HG2 GLN 9 2HG GLN 9 -21.455 -10.150 -6.514 57 HG3 GLN 9 1HG GLN 9 -22.957 -9.413 -7.071 58 HE21 GLN 9 1HE2 GLN 9 -23.383 -7.162 -5.843 59 HE22 GLN 9 2HE2 GLN 9 -22.022 -6.137 -5.760 60 H THR 10 H THR 10 -21.380 -9.283 -1.785 61 HA THR 10 HA THR 10 -23.660 -10.386 -0.332 62 HB THR 10 HB THR 10 -21.973 -11.021 1.550 63 HG1 THR 10 1HG THR 10 -19.959 -11.598 0.764 64 HG21 THR 10 3HG2 THR 10 -23.347 -12.496 -0.246 65 HG22 THR 10 1HG2 THR 10 -22.243 -13.215 0.926 66 HG23 THR 10 2HG2 THR 10 -21.704 -12.921 -0.726 67 HA PRO 11 HA PRO 11 -23.639 -6.461 1.720 68 HB2 PRO 11 2HB PRO 11 -23.755 -7.173 4.437 69 HB3 PRO 11 1HB PRO 11 -25.141 -6.986 3.349 70 HG2 PRO 11 2HG PRO 11 -23.762 -9.448 4.246 71 HG3 PRO 11 1HG PRO 11 -25.471 -9.176 3.869 72 HD2 PRO 11 2HD PRO 11 -23.810 -10.502 2.182 73 HD3 PRO 11 1HD PRO 11 -25.164 -9.513 1.595 74 H GLY 12 H GLY 12 -21.657 -5.519 1.383 75 HA2 GLY 12 2HA GLY 12 -19.747 -5.530 3.563 76 HA3 GLY 12 1HA GLY 12 -19.142 -6.250 2.073 77 HA PRO 13 HA PRO 13 -19.914 -1.808 0.507 78 HB2 PRO 13 2HB PRO 13 -21.308 -0.007 2.024 79 HB3 PRO 13 1HB PRO 13 -22.075 -1.111 0.862 80 HG2 PRO 13 2HG PRO 13 -21.832 -1.352 3.826 81 HG3 PRO 13 1HG PRO 13 -23.219 -1.696 2.775 82 HD2 PRO 13 2HD PRO 13 -21.612 -3.667 3.745 83 HD3 PRO 13 1HD PRO 13 -22.411 -3.783 2.159 84 H MET 14 H MET 14 -17.652 -2.250 1.431 85 HA MET 14 HA MET 14 -16.800 -0.838 3.769 86 HB2 MET 14 2HB MET 14 -15.384 -2.242 1.521 87 HB3 MET 14 1HB MET 14 -14.484 -1.323 2.728 88 HG2 MET 14 2HG MET 14 -16.541 -3.375 3.526 89 HG3 MET 14 1HG MET 14 -14.867 -3.832 3.210 90 HE1 MET 14 3HE MET 14 -15.341 -3.841 7.114 91 HE2 MET 14 1HE MET 14 -14.600 -4.737 5.782 92 HE3 MET 14 2HE MET 14 -16.329 -4.404 5.768 93 H LEU 15 H LEU 15 -17.219 1.342 3.678 94 HA LEU 15 HA LEU 15 -16.557 2.940 1.367 95 HB2 LEU 15 2HB LEU 15 -18.032 3.268 3.819 96 HB3 LEU 15 1HB LEU 15 -16.865 4.581 3.695 97 HG LEU 15 HG LEU 15 -17.702 5.061 1.387 98 HD11 LEU 15 1HD1 LEU 15 -19.940 4.017 0.803 99 HD12 LEU 15 2HD1 LEU 15 -19.656 2.862 2.105 100 HD13 LEU 15 3HD1 LEU 15 -18.562 2.918 0.722 101 HD21 LEU 15 3HD2 LEU 15 -19.975 4.993 3.383 102 HD22 LEU 15 1HD2 LEU 15 -19.702 6.172 2.100 103 HD23 LEU 15 2HD2 LEU 15 -18.635 6.132 3.503 104 H CYS 16 H CYS 16 -14.805 4.339 1.105 105 HA CYS 16 HA CYS 16 -12.307 3.570 1.953 106 HB2 CYS 16 2HB CYS 16 -12.950 5.259 0.132 107 HB3 CYS 16 1HB CYS 16 -12.926 6.467 1.422 108 H SER 17 H SER 17 -11.238 3.583 3.786 109 HA SER 17 HA SER 17 -12.242 4.657 6.204 110 HB2 SER 17 2HB SER 17 -9.373 3.888 5.694 111 HB3 SER 17 1HB SER 17 -10.263 3.816 7.215 112 HG SER 17 HG SER 17 -9.978 1.889 5.533 113 H THR 18 H THR 18 -9.989 5.946 3.823 114 HA THR 18 HA THR 18 -8.806 7.939 5.441 115 HB THR 18 HB THR 18 -8.064 8.963 3.373 116 HG1 THR 18 1HG THR 18 -9.427 8.902 1.798 117 HG21 THR 18 3HG2 THR 18 -7.295 6.557 4.218 118 HG22 THR 18 1HG2 THR 18 -6.701 7.221 2.694 119 HG23 THR 18 2HG2 THR 18 -8.024 6.056 2.693 120 H GLY 19 H GLY 19 -11.950 7.821 3.935 121 HA2 GLY 19 2HA GLY 19 -13.716 9.256 4.483 122 HA3 GLY 19 1HA GLY 19 -12.549 10.422 5.105 123 H CYS 20 H CYS 20 -12.466 8.890 1.893 124 HA CYS 20 HA CYS 20 -12.435 11.547 0.687 125 HB2 CYS 20 2HB CYS 20 -11.840 10.445 -1.400 126 HB3 CYS 20 1HB CYS 20 -10.822 9.832 -0.098 127 H GLY 21 H GLY 21 -14.786 9.137 1.383 128 HA2 GLY 21 2HA GLY 21 -17.088 9.374 1.191 129 HA3 GLY 21 1HA GLY 21 -16.845 10.687 0.050 130 H PHE 22 H PHE 22 -15.023 7.885 -0.750 131 HA PHE 22 HA PHE 22 -17.024 7.159 -2.790 132 HB2 PHE 22 2HB PHE 22 -14.007 7.173 -2.848 133 HB3 PHE 22 1HB PHE 22 -14.982 6.335 -4.063 134 HD1 PHE 22 2HD PHE 22 -16.823 7.692 -5.257 135 HD2 PHE 22 1HD PHE 22 -13.618 9.493 -3.033 136 HE1 PHE 22 2HE PHE 22 -17.223 9.840 -6.426 137 HE2 PHE 22 1HE PHE 22 -14.019 11.646 -4.203 138 HZ PHE 22 HZ PHE 22 -15.824 11.817 -5.896 139 H TYR 23 H TYR 23 -16.483 4.915 -3.705 140 HA TYR 23 HA TYR 23 -16.856 3.014 -1.555 141 HB2 TYR 23 2HB TYR 23 -18.009 3.104 -3.899 142 HB3 TYR 23 1HB TYR 23 -16.563 2.253 -4.447 143 HD1 TYR 23 2HD TYR 23 -18.903 2.115 -1.502 144 HD2 TYR 23 1HD TYR 23 -16.727 -0.058 -4.503 145 HE1 TYR 23 2HE TYR 23 -19.824 -0.006 -0.622 146 HE2 TYR 23 1HE TYR 23 -17.653 -2.186 -3.627 147 HH TYR 23 HH TYR 23 -19.975 -2.729 -2.207 148 H GLY 24 H GLY 24 -15.486 1.388 -0.893 149 HA2 GLY 24 2HA GLY 24 -12.782 1.324 -2.128 150 HA3 GLY 24 1HA GLY 24 -13.030 1.264 -0.379 151 H ASN 25 H ASN 25 -11.619 -0.769 -1.019 152 HA ASN 25 HA ASN 25 -13.481 -3.056 -1.289 153 HB2 ASN 25 2HB ASN 25 -11.818 -2.468 -3.280 154 HB3 ASN 25 1HB ASN 25 -10.669 -3.332 -2.272 155 HD21 ASN 25 1HD2 ASN 25 -14.167 -3.857 -3.037 156 HD22 ASN 25 2HD2 ASN 25 -13.962 -5.491 -3.479 157 HA PRO 26 HA PRO 26 -11.394 -4.288 2.465 158 HB2 PRO 26 2HB PRO 26 -12.414 -6.805 2.752 159 HB3 PRO 26 1HB PRO 26 -13.311 -5.322 3.118 160 HG2 PRO 26 2HG PRO 26 -13.542 -7.147 0.810 161 HG3 PRO 26 1HG PRO 26 -14.769 -6.133 1.582 162 HD2 PRO 26 2HD PRO 26 -13.422 -5.540 -0.814 163 HD3 PRO 26 1HD PRO 26 -14.376 -4.403 0.156 164 H ARG 27 H ARG 27 -10.922 -5.892 -0.586 165 HA ARG 27 HA ARG 27 -8.965 -7.810 0.344 166 HB2 ARG 27 2HB ARG 27 -9.614 -6.786 -2.432 167 HB3 ARG 27 1HB ARG 27 -8.507 -8.109 -2.079 168 HG2 ARG 27 2HG ARG 27 -10.247 -9.491 -1.252 169 HG3 ARG 27 1HG ARG 27 -11.368 -8.136 -1.118 170 HD2 ARG 27 2HD ARG 27 -11.226 -7.873 -3.619 171 HD3 ARG 27 1HD ARG 27 -10.289 -9.362 -3.668 172 HE ARG 27 HE ARG 27 -12.605 -9.977 -2.276 173 HH11 ARG 27 1HH2 ARG 27 -11.793 -8.844 -5.508 174 HH12 ARG 27 2HH2 ARG 27 -13.236 -9.493 -6.207 175 HH21 ARG 27 1HH1 ARG 27 -14.447 -10.813 -3.250 176 HH22 ARG 27 2HH1 ARG 27 -14.717 -10.596 -4.948 177 H THR 28 H THR 28 -9.032 -4.567 -1.010 178 HA THR 28 HA THR 28 -6.155 -4.328 -1.298 179 HB THR 28 HB THR 28 -6.617 -1.948 -1.717 180 HG1 THR 28 1HG THR 28 -8.288 -1.085 -0.828 181 HG21 THR 28 3HG2 THR 28 -8.560 -2.336 -3.460 182 HG22 THR 28 1HG2 THR 28 -8.323 -4.028 -3.030 183 HG23 THR 28 2HG2 THR 28 -6.986 -3.095 -3.695 184 H ASN 29 H ASN 29 -5.922 -1.719 0.135 185 HA ASN 29 HA ASN 29 -5.560 -2.823 2.819 186 HB2 ASN 29 2HB ASN 29 -4.555 -0.375 1.400 187 HB3 ASN 29 1HB ASN 29 -4.445 -0.509 3.157 188 HD21 ASN 29 1HD2 ASN 29 -2.258 -1.011 3.517 189 HD22 ASN 29 2HD2 ASN 29 -1.439 -2.304 2.760 190 H GLY 30 H GLY 30 -8.314 -2.070 1.774 191 HA2 GLY 30 2HA GLY 30 -10.200 -1.354 2.895 192 HA3 GLY 30 1HA GLY 30 -9.166 -0.600 4.109 193 H MET 31 H MET 31 -8.144 0.288 0.993 194 HA MET 31 HA MET 31 -9.622 2.841 1.145 195 HB2 MET 31 2HB MET 31 -6.785 2.127 0.492 196 HB3 MET 31 1HB MET 31 -7.496 3.570 -0.236 197 HG2 MET 31 2HG MET 31 -6.553 4.365 1.754 198 HG3 MET 31 1HG MET 31 -8.247 4.153 2.172 199 HE1 MET 31 3HE MET 31 -5.476 4.456 3.456 200 HE2 MET 31 1HE MET 31 -4.612 2.980 3.904 201 HE3 MET 31 2HE MET 31 -5.786 3.688 5.009 202 H CYS 32 H CYS 32 -9.898 3.938 -0.945 203 HA CYS 32 HA CYS 32 -10.948 2.140 -2.916 204 HB2 CYS 32 2HB CYS 32 -11.738 4.158 -4.041 205 HB3 CYS 32 1HB CYS 32 -12.076 4.270 -2.316 206 H SER 33 H SER 33 -10.242 3.691 -5.308 207 HA SER 33 HA SER 33 -7.765 2.369 -5.897 208 HB2 SER 33 2HB SER 33 -9.892 3.199 -7.406 209 HB3 SER 33 1HB SER 33 -8.673 4.395 -7.831 210 HG SER 33 HG SER 33 -8.534 2.523 -9.133 211 H VAL 34 H VAL 34 -8.673 5.825 -5.654 212 HA VAL 34 HA VAL 34 -6.066 6.791 -6.237 213 HB VAL 34 HB VAL 34 -8.176 8.280 -4.663 214 HG11 VAL 34 1HG1 VAL 34 -5.865 9.098 -6.444 215 HG12 VAL 34 2HG1 VAL 34 -6.078 9.446 -4.727 216 HG13 VAL 34 3HG1 VAL 34 -7.122 10.220 -5.919 217 HG21 VAL 34 3HG2 VAL 34 -8.072 7.509 -7.553 218 HG22 VAL 34 1HG2 VAL 34 -8.607 9.146 -7.169 219 HG23 VAL 34 2HG2 VAL 34 -9.467 7.759 -6.507 220 H CYS 35 H CYS 35 -7.810 6.667 -3.112 221 HA CYS 35 HA CYS 35 -5.744 7.619 -1.504 222 HB2 CYS 35 2HB CYS 35 -7.941 5.669 -0.777 223 HB3 CYS 35 1HB CYS 35 -6.941 6.553 0.376 224 H TYR 36 H TYR 36 -6.361 4.320 -2.624 225 HA TYR 36 HA TYR 36 -4.627 2.943 -0.919 226 HB2 TYR 36 2HB TYR 36 -6.222 1.769 -2.327 227 HB3 TYR 36 1HB TYR 36 -5.384 2.310 -3.780 228 HD1 TYR 36 2HD TYR 36 -4.237 0.806 -0.514 229 HD2 TYR 36 1HD TYR 36 -4.266 0.546 -4.803 230 HE1 TYR 36 2HE TYR 36 -2.748 -1.171 -0.404 231 HE2 TYR 36 1HE TYR 36 -2.777 -1.435 -4.692 232 HH TYR 36 HH TYR 36 -1.058 -2.351 -3.007 233 H LYS 37 H LYS 37 -3.910 4.584 -3.987 234 HA LYS 37 HA LYS 37 -1.190 3.684 -4.086 235 HB2 LYS 37 2HB LYS 37 -2.665 4.480 -6.040 236 HB3 LYS 37 1HB LYS 37 -2.274 6.114 -5.505 237 HG2 LYS 37 2HG LYS 37 0.112 5.665 -5.755 238 HG3 LYS 37 1HG LYS 37 -0.217 3.987 -6.175 239 HD2 LYS 37 2HD LYS 37 -1.336 4.642 -8.211 240 HD3 LYS 37 1HD LYS 37 -1.275 6.343 -7.758 241 HE2 LYS 37 2HE LYS 37 1.357 4.977 -7.812 242 HE3 LYS 37 1HE LYS 37 0.563 5.134 -9.379 243 HZ1 LYS 37 3HZ LYS 37 1.007 7.368 -7.472 244 HZ2 LYS 37 1HZ LYS 37 0.327 7.489 -9.021 245 HZ3 LYS 37 2HZ LYS 37 1.960 7.054 -8.842 246 H GLU 38 H GLU 38 -2.804 6.709 -3.166 247 HA GLU 38 HA GLU 38 -0.578 8.276 -2.634 248 HB2 GLU 38 2HB GLU 38 -3.287 8.280 -1.297 249 HB3 GLU 38 1HB GLU 38 -2.075 9.547 -1.086 250 HG2 GLU 38 2HG GLU 38 -3.004 8.696 -3.827 251 HG3 GLU 38 1HG GLU 38 -3.869 9.925 -2.899 252 H HIS 39 H HIS 39 -2.153 5.916 -0.450 253 HA HIS 39 HA HIS 39 -0.322 6.697 1.690 254 HB2 HIS 39 2HB HIS 39 -1.564 5.384 3.182 255 HB3 HIS 39 1HB HIS 39 -2.755 6.099 2.104 256 HD1 HIS 39 1HD HIS 39 -4.521 4.454 1.575 257 HD2 HIS 39 2HD HIS 39 -0.823 2.575 1.954 258 HE1 HIS 39 1HE HIS 39 -4.935 1.975 1.272 259 HE2 HIS 39 2HE HIS 39 -2.690 0.821 1.479 260 H LEU 40 H LEU 40 -0.639 4.056 -0.594 261 HA LEU 40 HA LEU 40 1.231 2.288 0.620 262 HB2 LEU 40 2HB LEU 40 -0.467 1.812 -1.255 263 HB3 LEU 40 1HB LEU 40 0.739 2.478 -2.356 264 HG LEU 40 HG LEU 40 1.679 0.413 -0.403 265 HD11 LEU 40 1HD1 LEU 40 0.918 -1.415 -1.913 266 HD12 LEU 40 2HD1 LEU 40 -0.017 -0.237 -2.831 267 HD13 LEU 40 3HD1 LEU 40 -0.431 -0.573 -1.152 268 HD21 LEU 40 3HD2 LEU 40 2.184 0.509 -3.375 269 HD22 LEU 40 1HD2 LEU 40 3.238 -0.083 -2.093 270 HD23 LEU 40 2HD2 LEU 40 2.998 1.649 -2.308 271 H GLN 41 H GLN 41 1.590 5.097 -1.476 272 HA GLN 41 HA GLN 41 4.204 4.724 -2.418 273 HB2 GLN 41 2HB GLN 41 2.426 6.522 -2.999 274 HB3 GLN 41 1HB GLN 41 3.114 7.421 -1.650 275 HG2 GLN 41 2HG GLN 41 4.388 8.211 -3.421 276 HG3 GLN 41 1HG GLN 41 5.401 6.892 -2.836 277 HE21 GLN 41 1HE2 GLN 41 6.262 5.874 -4.653 278 HE22 GLN 41 2HE2 GLN 41 5.368 5.450 -6.043 279 H ARG 42 H ARG 42 3.030 6.128 0.615 280 HA ARG 42 HA ARG 42 5.721 6.737 1.538 281 HB2 ARG 42 2HB ARG 42 3.422 7.984 2.034 282 HB3 ARG 42 1HB ARG 42 3.350 6.826 3.362 283 HG2 ARG 42 2HG ARG 42 5.706 7.545 3.976 284 HG3 ARG 42 1HG ARG 42 5.535 8.846 2.797 285 HD2 ARG 42 2HD ARG 42 3.426 8.465 4.904 286 HD3 ARG 42 1HD ARG 42 4.927 9.288 5.315 287 HE ARG 42 HE ARG 42 3.990 10.481 2.976 288 HH11 ARG 42 1HH2 ARG 42 2.797 10.062 6.258 289 HH12 ARG 42 2HH2 ARG 42 1.970 11.580 6.260 290 HH21 ARG 42 1HH1 ARG 42 2.899 12.442 3.045 291 HH22 ARG 42 2HH1 ARG 42 2.028 12.913 4.466 292 H GLN 43 H GLN 43 3.313 4.224 1.920 293 HA GLN 43 HA GLN 43 4.412 2.986 4.261 294 HB2 GLN 43 2HB GLN 43 2.059 2.677 3.320 295 HB3 GLN 43 1HB GLN 43 2.788 1.627 2.104 296 HG2 GLN 43 2HG GLN 43 3.662 0.155 3.839 297 HG3 GLN 43 1HG GLN 43 3.055 1.232 5.098 298 HE21 GLN 43 1HE2 GLN 43 2.125 -1.216 2.744 299 HE22 GLN 43 2HE2 GLN 43 0.510 -1.349 3.252 300 H GLN 44 H GLN 44 4.710 2.428 0.773 301 HA GLN 44 HA GLN 44 6.427 0.171 0.938 302 HB2 GLN 44 2HB GLN 44 5.018 1.000 -1.052 303 HB3 GLN 44 1HB GLN 44 6.368 2.087 -1.382 304 HG2 GLN 44 2HG GLN 44 7.898 0.122 -1.427 305 HG3 GLN 44 1HG GLN 44 6.504 -0.936 -1.202 306 HE21 GLN 44 1HE2 GLN 44 5.100 -1.295 -3.022 307 HE22 GLN 44 2HE2 GLN 44 5.461 -0.704 -4.581 308 H ASN 45 H ASN 45 7.056 3.619 1.076 309 HA ASN 45 HA ASN 45 9.785 3.615 0.337 310 HB2 ASN 45 2HB ASN 45 8.216 5.619 0.654 311 HB3 ASN 45 1HB ASN 45 8.592 5.490 2.370 312 HD21 ASN 45 1HD2 ASN 45 10.308 5.641 -0.806 313 HD22 ASN 45 2HD2 ASN 45 11.607 6.578 -0.217 314 H SER 46 H SER 46 8.252 3.371 3.554 315 HA SER 46 HA SER 46 10.867 2.665 4.722 316 HB2 SER 46 2HB SER 46 9.570 2.902 6.904 317 HB3 SER 46 1HB SER 46 9.802 4.382 5.976 318 HG SER 46 HG SER 46 7.727 4.434 5.532 319 H GLY 47 H GLY 47 7.470 1.632 5.190 320 HA2 GLY 47 2HA GLY 47 6.542 -0.492 5.158 321 HA3 GLY 47 1HA GLY 47 8.106 -1.134 4.671 322 H ARG 48 H ARG 48 7.545 0.869 7.523 323 HA ARG 48 HA ARG 48 8.428 -1.388 9.216 324 HB2 ARG 48 2HB ARG 48 8.401 1.587 9.796 325 HB3 ARG 48 1HB ARG 48 9.013 0.332 10.874 326 HG2 ARG 48 2HG ARG 48 10.067 0.594 8.062 327 HG3 ARG 48 1HG ARG 48 10.721 1.585 9.367 328 HD2 ARG 48 2HD ARG 48 11.386 -0.356 10.615 329 HD3 ARG 48 1HD ARG 48 10.506 -1.428 9.531 330 HE ARG 48 HE ARG 48 12.487 0.085 8.121 331 HH11 ARG 48 1HH2 ARG 48 12.080 -2.726 10.198 332 HH12 ARG 48 2HH2 ARG 48 13.529 -3.480 9.629 333 HH21 ARG 48 1HH1 ARG 48 14.348 -0.947 7.425 334 HH22 ARG 48 2HH1 ARG 48 14.798 -2.487 8.079 335 H MET 49 H MET 49 7.410 -1.584 11.353 336 HA MET 49 HA MET 49 4.515 -1.044 11.188 337 HB2 MET 49 2HB MET 49 6.082 -2.998 12.889 338 HB3 MET 49 1HB MET 49 4.328 -2.809 12.921 339 HG2 MET 49 2HG MET 49 4.431 -3.211 10.371 340 HG3 MET 49 1HG MET 49 6.063 -3.809 10.663 341 HE1 MET 49 3HE MET 49 3.291 -5.981 9.636 342 HE2 MET 49 1HE MET 49 4.656 -7.031 10.041 343 HE3 MET 49 2HE MET 49 4.939 -5.459 9.297 344 H SER 50 H SER 50 7.356 -0.610 13.244 345 HA SER 50 HA SER 50 5.831 1.355 14.842 346 HB2 SER 50 2HB SER 50 7.218 0.575 16.817 347 HB3 SER 50 1HB SER 50 5.977 -0.549 16.272 348 HG SER 50 HG SER 50 8.178 -1.407 16.640 349 HA PRO 51 HA PRO 51 9.312 3.984 14.066 350 HB2 PRO 51 2HB PRO 51 9.369 5.576 16.288 351 HB3 PRO 51 1HB PRO 51 8.129 5.711 15.026 352 HG2 PRO 51 2HG PRO 51 7.972 4.433 17.702 353 HG3 PRO 51 1HG PRO 51 6.749 5.353 16.811 354 HD2 PRO 51 2HD PRO 51 6.786 2.597 16.972 355 HD3 PRO 51 1HD PRO 51 6.017 3.507 15.655 356 H MET 52 H MET 52 11.330 3.147 14.052 357 HA MET 52 HA MET 52 12.474 1.917 16.430 358 HB2 MET 52 2HB MET 52 12.703 1.196 13.892 359 HB3 MET 52 1HB MET 52 14.034 2.353 13.908 360 HG2 MET 52 2HG MET 52 13.806 0.281 16.082 361 HG3 MET 52 1HG MET 52 14.520 -0.143 14.528 362 HE1 MET 52 3HE MET 52 16.640 -0.830 15.811 363 HE2 MET 52 1HE MET 52 15.988 -0.295 17.367 364 HE3 MET 52 2HE MET 52 17.594 0.220 16.856 365 H GLY 53 H GLY 53 13.024 4.755 14.375 366 HA2 GLY 53 2HA GLY 53 13.809 6.840 15.169 367 HA3 GLY 53 1HA GLY 53 14.501 6.027 16.568 368 H THR 54 H THR 54 14.905 5.031 13.199 369 HA THR 54 HA THR 54 17.813 5.506 13.459 370 HB THR 54 HB THR 54 16.462 3.726 11.431 371 HG1 THR 54 1HG THR 54 16.594 2.100 12.856 372 HG21 THR 54 3HG2 THR 54 18.795 2.616 11.714 373 HG22 THR 54 1HG2 THR 54 19.258 4.143 12.464 374 HG23 THR 54 2HG2 THR 54 18.690 4.118 10.795 375 H ALA 55 H ALA 55 18.945 6.526 11.785 376 HA ALA 55 HA ALA 55 17.485 8.532 10.349 377 HB1 ALA 55 1HB ALA 55 19.611 9.309 9.599 378 HB2 ALA 55 2HB ALA 55 20.365 7.743 9.899 379 HB3 ALA 55 3HB ALA 55 19.852 8.749 11.255 380 H SER 56 H SER 56 18.361 8.815 7.899 381 HA SER 56 HA SER 56 17.045 6.762 6.411 382 HB2 SER 56 2HB SER 56 18.879 8.871 5.271 383 HB3 SER 56 1HB SER 56 17.529 8.067 4.478 384 HG SER 56 HG SER 56 17.033 10.191 5.270 385 H GLY 57 H GLY 57 20.447 7.652 6.909 386 HA2 GLY 57 2HA GLY 57 22.138 5.934 7.066 387 HA3 GLY 57 1HA GLY 57 21.232 4.987 5.891 388 H SER 58 H SER 58 23.173 7.926 6.303 389 HA SER 58 HA SER 58 23.919 7.765 3.438 390 HB2 SER 58 2HB SER 58 24.213 10.258 3.558 391 HB3 SER 58 1HB SER 58 22.544 9.723 3.722 392 HG SER 58 HG SER 58 23.477 11.320 5.307 393 H ASN 59 H ASN 59 25.236 6.490 5.705 394 HA ASN 59 HA ASN 59 27.663 8.075 6.122 395 HB2 ASN 59 2HB ASN 59 28.320 6.205 7.637 396 HB3 ASN 59 1HB ASN 59 26.793 6.958 8.084 397 HD21 ASN 59 1HD2 ASN 59 28.293 3.969 7.145 398 HD22 ASN 59 2HD2 ASN 59 26.876 3.036 7.096 399 H SER 60 H SER 60 29.540 7.745 5.087 400 HA SER 60 HA SER 60 29.626 5.705 2.992 401 HB2 SER 60 2HB SER 60 31.666 7.847 3.607 402 HB3 SER 60 1HB SER 60 31.507 6.920 2.119 403 HG SER 60 HG SER 60 30.451 9.205 2.556 404 HA PRO 61 HA PRO 61 32.417 3.114 5.272 405 HB2 PRO 61 2HB PRO 61 33.788 1.841 3.317 406 HB3 PRO 61 1HB PRO 61 32.055 1.567 3.582 407 HG2 PRO 61 2HG PRO 61 33.414 3.218 1.517 408 HG3 PRO 61 1HG PRO 61 31.976 2.195 1.378 409 HD2 PRO 61 2HD PRO 61 31.913 4.958 1.663 410 HD3 PRO 61 1HD PRO 61 30.566 3.872 2.070 411 H THR 62 H THR 62 34.372 3.282 6.287 412 HA THR 62 HA THR 62 36.726 4.298 4.977 413 HB THR 62 HB THR 62 35.641 6.429 5.374 414 HG1 THR 62 1HG THR 62 37.581 6.012 7.403 415 HG21 THR 62 3HG2 THR 62 34.040 6.035 7.059 416 HG22 THR 62 1HG2 THR 62 35.235 7.053 7.861 417 HG23 THR 62 2HG2 THR 62 35.226 5.312 8.145 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -27.002 -17.360 -13.155 2 H2 GLY 1 2HT GLY 1 -26.181 -15.916 -12.796 3 H3 GLY 1 3HT GLY 1 -27.740 -15.867 -13.469 4 HA2 GLY 1 2HA GLY 1 -28.737 -16.690 -11.507 5 HA3 GLY 1 1HA GLY 1 -27.157 -17.076 -10.826 6 H SER 2 H SER 2 -29.293 -14.433 -11.804 7 HA SER 2 HA SER 2 -27.979 -12.693 -9.819 8 HB2 SER 2 2HB SER 2 -28.837 -11.666 -12.524 9 HB3 SER 2 1HB SER 2 -27.870 -10.843 -11.303 10 HG SER 2 HG SER 2 -26.695 -11.817 -13.114 11 H MET 3 H MET 3 -29.370 -11.544 -8.588 12 HA MET 3 HA MET 3 -32.147 -11.183 -9.475 13 HB2 MET 3 2HB MET 3 -31.260 -12.708 -7.037 14 HB3 MET 3 1HB MET 3 -32.823 -11.892 -7.078 15 HG2 MET 3 2HG MET 3 -33.391 -13.127 -9.158 16 HG3 MET 3 1HG MET 3 -31.851 -13.983 -9.048 17 HE1 MET 3 3HE MET 3 -32.015 -16.177 -6.051 18 HE2 MET 3 1HE MET 3 -31.047 -14.942 -6.870 19 HE3 MET 3 2HE MET 3 -31.671 -16.320 -7.772 20 H ALA 4 H ALA 4 -32.725 -9.133 -9.135 21 HA ALA 4 HA ALA 4 -31.514 -7.660 -6.868 22 HB1 ALA 4 1HB ALA 4 -30.566 -7.002 -9.107 23 HB2 ALA 4 2HB ALA 4 -31.341 -5.685 -8.229 24 HB3 ALA 4 3HB ALA 4 -32.181 -6.467 -9.567 25 H GLN 5 H GLN 5 -34.055 -9.093 -6.964 26 HA GLN 5 HA GLN 5 -36.147 -7.114 -7.247 27 HB2 GLN 5 2HB GLN 5 -36.362 -9.646 -7.642 28 HB3 GLN 5 1HB GLN 5 -36.417 -9.789 -5.883 29 HG2 GLN 5 2HG GLN 5 -38.690 -9.621 -6.547 30 HG3 GLN 5 1HG GLN 5 -38.269 -8.013 -5.959 31 HE21 GLN 5 1HE2 GLN 5 -38.187 -6.274 -7.492 32 HE22 GLN 5 2HE2 GLN 5 -38.687 -6.464 -9.113 33 H GLU 6 H GLU 6 -34.982 -9.079 -4.487 34 HA GLU 6 HA GLU 6 -35.955 -6.984 -2.645 35 HB2 GLU 6 2HB GLU 6 -35.261 -9.899 -2.227 36 HB3 GLU 6 1HB GLU 6 -35.635 -8.788 -0.910 37 HG2 GLU 6 2HG GLU 6 -37.847 -8.365 -1.828 38 HG3 GLU 6 1HG GLU 6 -37.478 -9.339 -3.252 39 H THR 7 H THR 7 -34.413 -5.536 -2.147 40 HA THR 7 HA THR 7 -31.599 -6.297 -2.137 41 HB THR 7 HB THR 7 -32.683 -3.607 -1.328 42 HG1 THR 7 1HG THR 7 -32.200 -4.567 -3.956 43 HG21 THR 7 3HG2 THR 7 -30.253 -4.184 -1.066 44 HG22 THR 7 1HG2 THR 7 -30.546 -2.835 -2.164 45 HG23 THR 7 2HG2 THR 7 -30.174 -4.433 -2.811 46 H ASN 8 H ASN 8 -30.647 -7.098 -0.382 47 HA ASN 8 HA ASN 8 -31.905 -6.798 2.237 48 HB2 ASN 8 2HB ASN 8 -30.980 -8.995 1.284 49 HB3 ASN 8 1HB ASN 8 -29.385 -8.332 1.628 50 HD21 ASN 8 1HD2 ASN 8 -32.530 -8.385 3.425 51 HD22 ASN 8 2HD2 ASN 8 -31.840 -8.946 4.880 52 H GLN 9 H GLN 9 -28.644 -6.342 0.831 53 HA GLN 9 HA GLN 9 -27.877 -4.686 3.113 54 HB2 GLN 9 2HB GLN 9 -25.636 -4.660 2.022 55 HB3 GLN 9 1HB GLN 9 -26.229 -6.290 2.332 56 HG2 GLN 9 2HG GLN 9 -26.686 -6.693 0.065 57 HG3 GLN 9 1HG GLN 9 -26.747 -4.976 -0.326 58 HE21 GLN 9 1HE2 GLN 9 -24.895 -4.171 -1.315 59 HE22 GLN 9 2HE2 GLN 9 -23.347 -4.878 -1.204 60 H THR 10 H THR 10 -27.102 -2.529 2.898 61 HA THR 10 HA THR 10 -28.493 -1.025 0.806 62 HB THR 10 HB THR 10 -27.584 0.937 2.270 63 HG1 THR 10 1HG THR 10 -26.246 0.087 3.679 64 HG21 THR 10 3HG2 THR 10 -29.654 -1.057 3.221 65 HG22 THR 10 1HG2 THR 10 -29.931 0.357 2.204 66 HG23 THR 10 2HG2 THR 10 -29.465 0.561 3.893 67 HA PRO 11 HA PRO 11 -24.781 -0.114 -1.447 68 HB2 PRO 11 2HB PRO 11 -25.282 2.326 -2.510 69 HB3 PRO 11 1HB PRO 11 -26.169 0.875 -3.014 70 HG2 PRO 11 2HG PRO 11 -26.994 3.038 -1.135 71 HG3 PRO 11 1HG PRO 11 -27.937 2.210 -2.388 72 HD2 PRO 11 2HD PRO 11 -28.088 1.575 0.286 73 HD3 PRO 11 1HD PRO 11 -28.431 0.418 -1.020 74 H GLY 12 H GLY 12 -22.860 1.221 -1.554 75 HA2 GLY 12 2HA GLY 12 -21.184 2.546 -0.715 76 HA3 GLY 12 1HA GLY 12 -22.433 3.522 0.055 77 HA PRO 13 HA PRO 13 -21.720 0.399 3.525 78 HB2 PRO 13 2HB PRO 13 -20.512 -2.021 3.089 79 HB3 PRO 13 1HB PRO 13 -22.253 -1.734 2.904 80 HG2 PRO 13 2HG PRO 13 -20.136 -1.935 0.826 81 HG3 PRO 13 1HG PRO 13 -21.818 -2.493 0.795 82 HD2 PRO 13 2HD PRO 13 -20.941 -0.188 -0.441 83 HD3 PRO 13 1HD PRO 13 -22.616 -0.471 0.087 84 H MET 14 H MET 14 -18.823 -1.134 2.093 85 HA MET 14 HA MET 14 -17.152 -0.088 4.142 86 HB2 MET 14 2HB MET 14 -16.816 -1.871 1.785 87 HB3 MET 14 1HB MET 14 -15.360 -1.104 2.417 88 HG2 MET 14 2HG MET 14 -16.268 -1.922 4.742 89 HG3 MET 14 1HG MET 14 -17.226 -3.039 3.773 90 HE1 MET 14 3HE MET 14 -14.153 -2.211 5.469 91 HE2 MET 14 1HE MET 14 -13.172 -3.671 5.271 92 HE3 MET 14 2HE MET 14 -14.782 -3.777 5.976 93 H LEU 15 H LEU 15 -17.542 2.204 3.822 94 HA LEU 15 HA LEU 15 -16.584 3.571 1.490 95 HB2 LEU 15 2HB LEU 15 -17.741 4.294 4.113 96 HB3 LEU 15 1HB LEU 15 -16.606 5.478 3.475 97 HG LEU 15 HG LEU 15 -19.056 5.808 2.836 98 HD11 LEU 15 1HD1 LEU 15 -16.935 6.670 1.623 99 HD12 LEU 15 2HD1 LEU 15 -18.476 6.747 0.771 100 HD13 LEU 15 3HD1 LEU 15 -17.326 5.463 0.398 101 HD21 LEU 15 3HD2 LEU 15 -18.629 3.742 0.695 102 HD22 LEU 15 1HD2 LEU 15 -20.139 4.398 1.329 103 HD23 LEU 15 2HD2 LEU 15 -19.222 3.223 2.273 104 H CYS 16 H CYS 16 -14.697 4.788 1.240 105 HA CYS 16 HA CYS 16 -12.276 3.714 1.818 106 HB2 CYS 16 2HB CYS 16 -12.808 5.684 0.309 107 HB3 CYS 16 1HB CYS 16 -12.659 6.704 1.741 108 H SER 17 H SER 17 -10.726 3.752 3.345 109 HA SER 17 HA SER 17 -11.438 4.118 6.053 110 HB2 SER 17 2HB SER 17 -8.713 3.838 4.771 111 HB3 SER 17 1HB SER 17 -9.023 3.740 6.508 112 HG SER 17 HG SER 17 -9.004 1.685 5.383 113 H THR 18 H THR 18 -9.926 6.282 3.737 114 HA THR 18 HA THR 18 -9.147 8.174 5.814 115 HB THR 18 HB THR 18 -8.058 9.438 4.134 116 HG1 THR 18 1HG THR 18 -9.718 8.022 2.345 117 HG21 THR 18 3HG2 THR 18 -7.796 6.593 3.139 118 HG22 THR 18 1HG2 THR 18 -7.104 7.135 4.669 119 HG23 THR 18 2HG2 THR 18 -6.563 7.854 3.155 120 H GLY 19 H GLY 19 -12.052 7.543 4.244 121 HA2 GLY 19 2HA GLY 19 -14.053 8.650 4.289 122 HA3 GLY 19 1HA GLY 19 -13.286 9.885 5.276 123 H CYS 20 H CYS 20 -12.358 8.915 1.979 124 HA CYS 20 HA CYS 20 -12.453 11.678 1.142 125 HB2 CYS 20 2HB CYS 20 -11.565 10.889 -0.985 126 HB3 CYS 20 1HB CYS 20 -10.665 10.179 0.357 127 H GLY 21 H GLY 21 -14.726 9.080 1.108 128 HA2 GLY 21 2HA GLY 21 -17.039 9.554 0.679 129 HA3 GLY 21 1HA GLY 21 -16.544 10.708 -0.555 130 H PHE 22 H PHE 22 -14.620 7.997 -0.983 131 HA PHE 22 HA PHE 22 -16.410 6.937 -3.061 132 HB2 PHE 22 2HB PHE 22 -13.407 7.079 -2.805 133 HB3 PHE 22 1HB PHE 22 -14.203 6.020 -3.980 134 HD1 PHE 22 1HD PHE 22 -15.603 6.972 -5.786 135 HD2 PHE 22 2HD PHE 22 -13.379 9.477 -3.096 136 HE1 PHE 22 1HE PHE 22 -15.882 8.886 -7.336 137 HE2 PHE 22 2HE PHE 22 -13.665 11.395 -4.645 138 HZ PHE 22 HZ PHE 22 -14.917 11.095 -6.762 139 H TYR 23 H TYR 23 -16.395 4.639 -3.440 140 HA TYR 23 HA TYR 23 -16.605 3.082 -1.082 141 HB2 TYR 23 2HB TYR 23 -17.799 2.688 -3.303 142 HB3 TYR 23 1HB TYR 23 -16.289 1.964 -3.874 143 HD1 TYR 23 1HD TYR 23 -18.466 1.841 -0.817 144 HD2 TYR 23 2HD TYR 23 -16.110 -0.354 -3.655 145 HE1 TYR 23 1HE TYR 23 -19.047 -0.268 0.328 146 HE2 TYR 23 2HE TYR 23 -16.698 -2.473 -2.503 147 HH TYR 23 HH TYR 23 -18.977 -3.081 -0.836 148 H GLY 24 H GLY 24 -15.342 1.444 -0.251 149 HA2 GLY 24 2HA GLY 24 -12.499 1.447 -1.109 150 HA3 GLY 24 1HA GLY 24 -13.059 1.103 0.531 151 H ASN 25 H ASN 25 -11.360 -0.664 -0.827 152 HA ASN 25 HA ASN 25 -13.142 -2.927 -1.534 153 HB2 ASN 25 2HB ASN 25 -11.224 -1.904 -3.105 154 HB3 ASN 25 1HB ASN 25 -10.219 -2.992 -2.158 155 HD21 ASN 25 1HD2 ASN 25 -12.478 -2.833 -4.766 156 HD22 ASN 25 2HD2 ASN 25 -12.631 -4.513 -5.012 157 HA PRO 26 HA PRO 26 -11.509 -4.710 2.260 158 HB2 PRO 26 2HB PRO 26 -12.548 -7.207 2.096 159 HB3 PRO 26 1HB PRO 26 -13.517 -5.769 2.471 160 HG2 PRO 26 2HG PRO 26 -13.290 -7.281 -0.075 161 HG3 PRO 26 1HG PRO 26 -14.699 -6.492 0.651 162 HD2 PRO 26 2HD PRO 26 -13.156 -5.409 -1.399 163 HD3 PRO 26 1HD PRO 26 -14.223 -4.475 -0.332 164 H ARG 27 H ARG 27 -10.871 -6.053 -0.906 165 HA ARG 27 HA ARG 27 -8.886 -7.965 -0.065 166 HB2 ARG 27 2HB ARG 27 -9.645 -6.755 -2.726 167 HB3 ARG 27 1HB ARG 27 -8.285 -7.862 -2.554 168 HG2 ARG 27 2HG ARG 27 -9.651 -9.663 -1.957 169 HG3 ARG 27 1HG ARG 27 -10.964 -8.616 -1.421 170 HD2 ARG 27 2HD ARG 27 -11.591 -9.639 -3.533 171 HD3 ARG 27 1HD ARG 27 -11.320 -7.916 -3.791 172 HE ARG 27 HE ARG 27 -8.926 -9.394 -4.273 173 HH11 ARG 27 1HH2 ARG 27 -12.046 -8.659 -5.724 174 HH12 ARG 27 2HH2 ARG 27 -11.462 -8.890 -7.335 175 HH21 ARG 27 1HH1 ARG 27 -8.236 -9.676 -6.394 176 HH22 ARG 27 2HH1 ARG 27 -9.342 -9.467 -7.709 177 H THR 28 H THR 28 -8.969 -4.592 -1.045 178 HA THR 28 HA THR 28 -6.072 -4.316 -1.111 179 HB THR 28 HB THR 28 -6.528 -1.971 -1.618 180 HG1 THR 28 1HG THR 28 -8.222 -1.133 -0.755 181 HG21 THR 28 3HG2 THR 28 -8.317 -3.962 -3.024 182 HG22 THR 28 1HG2 THR 28 -6.777 -3.299 -3.569 183 HG23 THR 28 2HG2 THR 28 -8.216 -2.279 -3.537 184 H ASN 29 H ASN 29 -6.038 -1.700 0.332 185 HA ASN 29 HA ASN 29 -5.972 -2.791 3.040 186 HB2 ASN 29 2HB ASN 29 -4.822 -0.395 1.669 187 HB3 ASN 29 1HB ASN 29 -5.048 -0.328 3.418 188 HD21 ASN 29 1HD2 ASN 29 -4.300 -2.699 4.417 189 HD22 ASN 29 2HD2 ASN 29 -2.727 -3.141 3.922 190 H GLY 30 H GLY 30 -8.618 -2.086 1.649 191 HA2 GLY 30 2HA GLY 30 -10.656 -1.385 2.510 192 HA3 GLY 30 1HA GLY 30 -9.807 -0.749 3.919 193 H MET 31 H MET 31 -8.538 0.246 0.846 194 HA MET 31 HA MET 31 -9.877 2.871 1.110 195 HB2 MET 31 2HB MET 31 -7.023 2.175 0.416 196 HB3 MET 31 1HB MET 31 -7.731 3.748 0.027 197 HG2 MET 31 2HG MET 31 -8.113 4.260 2.318 198 HG3 MET 31 1HG MET 31 -7.849 2.588 2.814 199 HE1 MET 31 3HE MET 31 -5.840 1.913 3.954 200 HE2 MET 31 1HE MET 31 -6.293 3.454 4.696 201 HE3 MET 31 2HE MET 31 -4.599 3.096 4.364 202 H CYS 32 H CYS 32 -10.220 4.034 -0.847 203 HA CYS 32 HA CYS 32 -11.196 2.464 -2.983 204 HB2 CYS 32 2HB CYS 32 -11.779 4.598 -4.022 205 HB3 CYS 32 1HB CYS 32 -12.161 4.659 -2.304 206 H SER 33 H SER 33 -10.382 3.909 -5.285 207 HA SER 33 HA SER 33 -7.946 2.524 -5.878 208 HB2 SER 33 2HB SER 33 -10.048 3.419 -7.376 209 HB3 SER 33 1HB SER 33 -8.810 4.600 -7.789 210 HG SER 33 HG SER 33 -8.947 2.465 -8.975 211 H VAL 34 H VAL 34 -8.765 5.981 -5.642 212 HA VAL 34 HA VAL 34 -6.211 6.996 -6.282 213 HB VAL 34 HB VAL 34 -8.242 8.323 -4.472 214 HG11 VAL 34 1HG1 VAL 34 -7.288 10.395 -5.451 215 HG12 VAL 34 2HG1 VAL 34 -6.129 9.419 -6.355 216 HG13 VAL 34 3HG1 VAL 34 -6.067 9.451 -4.593 217 HG21 VAL 34 3HG2 VAL 34 -9.657 8.113 -6.245 218 HG22 VAL 34 1HG2 VAL 34 -8.366 7.635 -7.345 219 HG23 VAL 34 2HG2 VAL 34 -8.661 9.343 -7.016 220 H CYS 35 H CYS 35 -7.697 6.696 -3.055 221 HA CYS 35 HA CYS 35 -5.473 7.508 -1.573 222 HB2 CYS 35 2HB CYS 35 -7.733 5.665 -0.762 223 HB3 CYS 35 1HB CYS 35 -6.599 6.431 0.351 224 H TYR 36 H TYR 36 -6.311 4.309 -2.813 225 HA TYR 36 HA TYR 36 -4.515 2.836 -1.196 226 HB2 TYR 36 2HB TYR 36 -6.407 1.864 -2.516 227 HB3 TYR 36 1HB TYR 36 -5.434 2.071 -3.972 228 HD1 TYR 36 1HD TYR 36 -4.942 0.797 -0.466 229 HD2 TYR 36 2HD TYR 36 -4.295 0.159 -4.666 230 HE1 TYR 36 1HE TYR 36 -3.788 -1.331 0.032 231 HE2 TYR 36 2HE TYR 36 -3.131 -1.975 -4.158 232 HH TYR 36 HH TYR 36 -3.331 -3.697 -1.957 233 H LYS 37 H LYS 37 -3.997 4.545 -4.299 234 HA LYS 37 HA LYS 37 -1.410 3.358 -4.694 235 HB2 LYS 37 2HB LYS 37 -2.979 4.328 -6.490 236 HB3 LYS 37 1HB LYS 37 -2.377 5.906 -5.977 237 HG2 LYS 37 2HG LYS 37 -0.046 5.072 -6.337 238 HG3 LYS 37 1HG LYS 37 -0.719 3.583 -6.998 239 HD2 LYS 37 2HD LYS 37 -1.573 4.659 -8.894 240 HD3 LYS 37 1HD LYS 37 -1.577 6.242 -8.115 241 HE2 LYS 37 2HE LYS 37 1.002 5.959 -8.009 242 HE3 LYS 37 1HE LYS 37 0.766 4.702 -9.223 243 HZ1 LYS 37 3HZ LYS 37 -0.216 6.251 -10.695 244 HZ2 LYS 37 1HZ LYS 37 1.202 6.979 -10.115 245 HZ3 LYS 37 2HZ LYS 37 -0.307 7.452 -9.497 246 H GLU 38 H GLU 38 -2.587 6.558 -3.636 247 HA GLU 38 HA GLU 38 -0.019 7.690 -3.239 248 HB2 GLU 38 2HB GLU 38 -2.692 8.391 -2.010 249 HB3 GLU 38 1HB GLU 38 -1.237 9.384 -1.887 250 HG2 GLU 38 2HG GLU 38 -2.230 8.493 -4.582 251 HG3 GLU 38 1HG GLU 38 -2.955 9.896 -3.787 252 H HIS 39 H HIS 39 -2.269 6.062 -1.008 253 HA HIS 39 HA HIS 39 -0.889 6.502 1.386 254 HB2 HIS 39 2HB HIS 39 -3.204 5.640 1.215 255 HB3 HIS 39 1HB HIS 39 -2.580 4.110 0.595 256 HD1 HIS 39 1HD HIS 39 -2.325 6.285 3.725 257 HD2 HIS 39 2HD HIS 39 -1.892 2.304 2.568 258 HE1 HIS 39 1HE HIS 39 -1.963 4.955 5.846 259 HE2 HIS 39 2HE HIS 39 -1.691 2.529 5.163 260 H LEU 40 H LEU 40 -0.659 3.690 -0.823 261 HA LEU 40 HA LEU 40 1.250 2.294 0.709 262 HB2 LEU 40 2HB LEU 40 0.203 2.098 -2.066 263 HB3 LEU 40 1HB LEU 40 1.756 1.323 -1.761 264 HG LEU 40 HG LEU 40 -0.121 -0.254 -1.426 265 HD11 LEU 40 1HD1 LEU 40 1.020 0.382 1.294 266 HD12 LEU 40 2HD1 LEU 40 2.017 -0.283 0.000 267 HD13 LEU 40 3HD1 LEU 40 0.634 -1.195 0.605 268 HD21 LEU 40 3HD2 LEU 40 -1.911 1.189 -0.735 269 HD22 LEU 40 1HD2 LEU 40 -0.995 1.770 0.653 270 HD23 LEU 40 2HD2 LEU 40 -1.585 0.110 0.620 271 H GLN 41 H GLN 41 1.642 4.892 -1.631 272 HA GLN 41 HA GLN 41 4.350 4.568 -2.276 273 HB2 GLN 41 2HB GLN 41 2.757 6.196 -3.339 274 HB3 GLN 41 1HB GLN 41 2.922 7.213 -1.910 275 HG2 GLN 41 2HG GLN 41 5.377 7.317 -2.291 276 HG3 GLN 41 1HG GLN 41 5.173 6.348 -3.752 277 HE21 GLN 41 1HE2 GLN 41 4.191 9.474 -2.280 278 HE22 GLN 41 2HE2 GLN 41 3.957 10.271 -3.770 279 H ARG 42 H ARG 42 2.844 6.174 0.520 280 HA ARG 42 HA ARG 42 5.414 6.986 1.596 281 HB2 ARG 42 2HB ARG 42 4.108 7.847 3.502 282 HB3 ARG 42 1HB ARG 42 3.466 8.421 1.967 283 HG2 ARG 42 2HG ARG 42 1.600 6.974 2.072 284 HG3 ARG 42 1HG ARG 42 2.346 5.950 3.294 285 HD2 ARG 42 2HD ARG 42 0.923 7.164 4.640 286 HD3 ARG 42 1HD ARG 42 2.336 8.214 4.695 287 HE ARG 42 HE ARG 42 0.889 9.081 2.513 288 HH11 ARG 42 1HH2 ARG 42 0.216 8.701 5.950 289 HH12 ARG 42 2HH2 ARG 42 -0.950 9.977 5.960 290 HH21 ARG 42 1HH1 ARG 42 -0.642 10.700 2.591 291 HH22 ARG 42 2HH1 ARG 42 -1.437 11.094 4.077 292 H GLN 43 H GLN 43 3.133 4.352 2.030 293 HA GLN 43 HA GLN 43 4.181 3.361 4.486 294 HB2 GLN 43 2HB GLN 43 1.904 2.873 3.416 295 HB3 GLN 43 1HB GLN 43 2.759 1.712 2.401 296 HG2 GLN 43 2HG GLN 43 2.143 0.350 4.178 297 HG3 GLN 43 1HG GLN 43 3.739 0.879 4.711 298 HE21 GLN 43 1HE2 GLN 43 0.803 0.361 6.000 299 HE22 GLN 43 2HE2 GLN 43 0.730 1.619 7.140 300 H GLN 44 H GLN 44 4.592 2.250 1.107 301 HA GLN 44 HA GLN 44 6.378 0.151 1.613 302 HB2 GLN 44 2HB GLN 44 6.136 1.923 -0.829 303 HB3 GLN 44 1HB GLN 44 7.061 0.422 -0.770 304 HG2 GLN 44 2HG GLN 44 5.120 -0.890 -0.417 305 HG3 GLN 44 1HG GLN 44 4.147 0.519 0.003 306 HE21 GLN 44 1HE2 GLN 44 4.021 -1.606 -2.292 307 HE22 GLN 44 2HE2 GLN 44 3.819 -0.646 -3.688 308 H ASN 45 H ASN 45 6.981 3.601 1.229 309 HA ASN 45 HA ASN 45 9.803 3.466 0.949 310 HB2 ASN 45 2HB ASN 45 8.267 5.451 0.477 311 HB3 ASN 45 1HB ASN 45 8.293 5.750 2.213 312 HD21 ASN 45 1HD2 ASN 45 10.377 6.379 3.191 313 HD22 ASN 45 2HD2 ASN 45 11.657 6.945 2.215 314 H SER 46 H SER 46 7.816 4.264 3.826 315 HA SER 46 HA SER 46 10.032 3.272 5.529 316 HB2 SER 46 2HB SER 46 8.245 5.674 5.941 317 HB3 SER 46 1HB SER 46 9.215 4.962 7.226 318 HG SER 46 HG SER 46 10.078 6.758 5.743 319 H GLY 47 H GLY 47 6.605 4.246 5.885 320 HA2 GLY 47 2HA GLY 47 4.778 3.074 6.673 321 HA3 GLY 47 1HA GLY 47 5.734 1.601 6.564 322 H ARG 48 H ARG 48 6.702 4.457 8.398 323 HA ARG 48 HA ARG 48 6.120 3.036 10.926 324 HB2 ARG 48 2HB ARG 48 8.565 2.872 10.147 325 HB3 ARG 48 1HB ARG 48 8.664 4.595 10.507 326 HG2 ARG 48 2HG ARG 48 7.997 4.199 12.816 327 HG3 ARG 48 1HG ARG 48 7.742 2.486 12.481 328 HD2 ARG 48 2HD ARG 48 10.081 2.131 12.076 329 HD3 ARG 48 1HD ARG 48 10.406 3.861 12.076 330 HE ARG 48 HE ARG 48 9.336 3.326 14.567 331 HH11 ARG 48 1HH2 ARG 48 12.112 2.167 12.742 332 HH12 ARG 48 2HH2 ARG 48 13.045 1.861 14.164 333 HH21 ARG 48 1HH1 ARG 48 10.601 2.913 16.372 334 HH22 ARG 48 2HH1 ARG 48 12.203 2.278 16.196 335 H MET 49 H MET 49 7.541 6.155 9.865 336 HA MET 49 HA MET 49 5.566 7.533 11.597 337 HB2 MET 49 2HB MET 49 8.470 8.181 11.074 338 HB3 MET 49 1HB MET 49 7.346 9.320 11.811 339 HG2 MET 49 2HG MET 49 6.969 7.879 13.685 340 HG3 MET 49 1HG MET 49 7.783 6.528 12.893 341 HE1 MET 49 3HE MET 49 9.769 5.937 12.876 342 HE2 MET 49 1HE MET 49 11.186 6.596 13.702 343 HE3 MET 49 2HE MET 49 10.778 7.140 12.076 344 H SER 50 H SER 50 7.834 8.244 8.912 345 HA SER 50 HA SER 50 5.668 9.294 7.291 346 HB2 SER 50 2HB SER 50 7.049 11.498 7.036 347 HB3 SER 50 1HB SER 50 5.960 11.315 8.407 348 HG SER 50 HG SER 50 8.764 10.854 8.347 349 HA PRO 51 HA PRO 51 8.472 8.042 4.094 350 HB2 PRO 51 2HB PRO 51 7.720 9.579 1.980 351 HB3 PRO 51 1HB PRO 51 6.707 8.275 2.628 352 HG2 PRO 51 2HG PRO 51 6.486 11.211 3.012 353 HG3 PRO 51 1HG PRO 51 5.213 9.994 2.825 354 HD2 PRO 51 2HD PRO 51 5.989 11.071 5.257 355 HD3 PRO 51 1HD PRO 51 5.180 9.501 5.066 356 H MET 52 H MET 52 8.162 11.614 4.115 357 HA MET 52 HA MET 52 10.960 11.884 3.287 358 HB2 MET 52 2HB MET 52 8.626 13.765 3.480 359 HB3 MET 52 1HB MET 52 10.269 14.395 3.384 360 HG2 MET 52 2HG MET 52 9.622 14.268 1.124 361 HG3 MET 52 1HG MET 52 10.533 12.776 1.362 362 HE1 MET 52 3HE MET 52 9.278 12.764 -0.920 363 HE2 MET 52 1HE MET 52 7.845 11.749 -1.126 364 HE3 MET 52 2HE MET 52 9.335 11.059 -0.485 365 H GLY 53 H GLY 53 8.820 12.825 5.974 366 HA2 GLY 53 2HA GLY 53 9.517 12.770 8.259 367 HA3 GLY 53 1HA GLY 53 11.183 12.991 7.729 368 H THR 54 H THR 54 11.350 15.151 6.303 369 HA THR 54 HA THR 54 10.469 17.294 8.092 370 HB THR 54 HB THR 54 12.034 18.674 6.647 371 HG1 THR 54 1HG THR 54 12.284 17.579 4.820 372 HG21 THR 54 3HG2 THR 54 12.651 17.609 8.834 373 HG22 THR 54 1HG2 THR 54 14.013 17.798 7.731 374 HG23 THR 54 2HG2 THR 54 13.254 16.219 7.931 375 H ALA 55 H ALA 55 9.977 19.446 6.881 376 HA ALA 55 HA ALA 55 7.614 18.989 5.298 377 HB1 ALA 55 1HB ALA 55 8.985 21.619 5.903 378 HB2 ALA 55 2HB ALA 55 7.838 20.833 6.986 379 HB3 ALA 55 3HB ALA 55 7.312 21.383 5.395 380 H SER 56 H SER 56 7.448 18.940 3.142 381 HA SER 56 HA SER 56 9.365 20.363 1.464 382 HB2 SER 56 2HB SER 56 8.952 17.379 1.178 383 HB3 SER 56 1HB SER 56 9.963 18.400 0.159 384 HG SER 56 HG SER 56 10.935 17.176 2.033 385 H GLY 57 H GLY 57 8.752 19.774 -0.966 386 HA2 GLY 57 2HA GLY 57 7.026 19.334 -2.548 387 HA3 GLY 57 1HA GLY 57 5.838 19.481 -1.258 388 H SER 58 H SER 58 8.483 21.601 -2.403 389 HA SER 58 HA SER 58 6.545 23.633 -3.204 390 HB2 SER 58 2HB SER 58 7.641 25.373 -1.821 391 HB3 SER 58 1HB SER 58 6.875 24.128 -0.840 392 HG SER 58 HG SER 58 9.059 24.700 -0.213 393 H ASN 59 H ASN 59 8.434 21.980 -4.643 394 HA ASN 59 HA ASN 59 10.463 23.945 -5.518 395 HB2 ASN 59 2HB ASN 59 10.292 20.956 -5.974 396 HB3 ASN 59 1HB ASN 59 11.569 22.007 -6.585 397 HD21 ASN 59 1HD2 ASN 59 13.221 22.672 -5.114 398 HD22 ASN 59 2HD2 ASN 59 13.283 22.148 -3.500 399 H SER 60 H SER 60 10.307 24.871 -7.471 400 HA SER 60 HA SER 60 8.021 24.236 -9.156 401 HB2 SER 60 2HB SER 60 8.671 26.591 -8.643 402 HB3 SER 60 1HB SER 60 10.173 26.336 -9.528 403 HG SER 60 HG SER 60 8.383 27.273 -10.749 404 HA PRO 61 HA PRO 61 10.093 21.605 -12.062 405 HB2 PRO 61 2HB PRO 61 8.866 23.207 -14.255 406 HB3 PRO 61 1HB PRO 61 8.763 21.467 -13.931 407 HG2 PRO 61 2HG PRO 61 6.716 23.098 -13.449 408 HG3 PRO 61 1HG PRO 61 7.071 21.714 -12.402 409 HD2 PRO 61 2HD PRO 61 7.564 24.623 -11.913 410 HD3 PRO 61 1HD PRO 61 7.123 23.342 -10.761 411 H THR 62 H THR 62 12.125 21.600 -12.864 412 HA THR 62 HA THR 62 14.154 22.306 -13.658 413 HB THR 62 HB THR 62 12.715 24.561 -15.051 414 HG1 THR 62 1HG THR 62 12.915 21.836 -15.813 415 HG21 THR 62 3HG2 THR 62 15.078 24.654 -15.344 416 HG22 THR 62 1HG2 THR 62 14.451 23.904 -16.811 417 HG23 THR 62 2HG2 THR 62 15.193 22.907 -15.560 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -42.752 -7.122 -7.146 2 H2 GLY 1 2HT GLY 1 -42.825 -6.970 -8.837 3 H3 GLY 1 3HT GLY 1 -44.053 -6.308 -7.868 4 HA2 GLY 1 2HA GLY 1 -42.488 -4.623 -8.726 5 HA3 GLY 1 1HA GLY 1 -42.577 -4.680 -6.964 6 H SER 2 H SER 2 -40.476 -4.532 -9.504 7 HA SER 2 HA SER 2 -38.372 -6.222 -8.428 8 HB2 SER 2 2HB SER 2 -38.795 -5.734 -10.912 9 HB3 SER 2 1HB SER 2 -38.072 -4.157 -10.604 10 HG SER 2 HG SER 2 -36.177 -5.112 -10.123 11 H MET 3 H MET 3 -37.168 -5.588 -6.752 12 HA MET 3 HA MET 3 -36.220 -2.810 -6.642 13 HB2 MET 3 2HB MET 3 -36.727 -2.698 -4.206 14 HB3 MET 3 1HB MET 3 -38.175 -2.783 -5.206 15 HG2 MET 3 2HG MET 3 -38.120 -5.315 -4.819 16 HG3 MET 3 1HG MET 3 -36.915 -4.995 -3.571 17 HE1 MET 3 3HE MET 3 -40.644 -5.520 -4.133 18 HE2 MET 3 1HE MET 3 -40.230 -4.061 -5.046 19 HE3 MET 3 2HE MET 3 -41.345 -3.966 -3.685 20 H ALA 4 H ALA 4 -34.927 -5.326 -7.352 21 HA ALA 4 HA ALA 4 -33.277 -6.144 -5.130 22 HB1 ALA 4 1HB ALA 4 -33.907 -7.630 -7.066 23 HB2 ALA 4 2HB ALA 4 -32.179 -7.583 -6.712 24 HB3 ALA 4 3HB ALA 4 -32.825 -6.669 -8.074 25 H GLN 5 H GLN 5 -32.713 -4.323 -8.152 26 HA GLN 5 HA GLN 5 -30.015 -3.627 -7.468 27 HB2 GLN 5 2HB GLN 5 -31.925 -2.553 -9.553 28 HB3 GLN 5 1HB GLN 5 -30.242 -2.042 -9.406 29 HG2 GLN 5 2HG GLN 5 -29.415 -4.155 -10.002 30 HG3 GLN 5 1HG GLN 5 -30.928 -4.964 -9.599 31 HE21 GLN 5 1HE2 GLN 5 -32.288 -5.408 -11.338 32 HE22 GLN 5 2HE2 GLN 5 -32.187 -4.655 -12.866 33 H GLU 6 H GLU 6 -33.128 -1.900 -7.425 34 HA GLU 6 HA GLU 6 -31.919 0.458 -6.226 35 HB2 GLU 6 2HB GLU 6 -34.766 -0.250 -6.961 36 HB3 GLU 6 1HB GLU 6 -34.302 1.280 -6.216 37 HG2 GLU 6 2HG GLU 6 -32.795 1.764 -8.087 38 HG3 GLU 6 1HG GLU 6 -33.186 0.211 -8.824 39 H THR 7 H THR 7 -31.412 0.394 -4.123 40 HA THR 7 HA THR 7 -33.441 -0.560 -2.218 41 HB THR 7 HB THR 7 -30.549 -1.258 -1.791 42 HG1 THR 7 1HG THR 7 -30.728 -2.620 -3.360 43 HG21 THR 7 3HG2 THR 7 -31.591 -3.019 -0.386 44 HG22 THR 7 1HG2 THR 7 -33.184 -2.400 -0.822 45 HG23 THR 7 2HG2 THR 7 -32.076 -1.399 0.117 46 H ASN 8 H ASN 8 -33.204 0.309 -0.085 47 HA ASN 8 HA ASN 8 -31.984 2.966 -0.102 48 HB2 ASN 8 2HB ASN 8 -34.366 2.506 0.667 49 HB3 ASN 8 1HB ASN 8 -33.657 1.733 2.084 50 HD21 ASN 8 1HD2 ASN 8 -34.799 4.691 0.950 51 HD22 ASN 8 2HD2 ASN 8 -33.985 5.714 2.047 52 H GLN 9 H GLN 9 -31.819 -0.086 1.703 53 HA GLN 9 HA GLN 9 -29.840 0.904 3.558 54 HB2 GLN 9 2HB GLN 9 -31.027 -1.812 3.011 55 HB3 GLN 9 1HB GLN 9 -29.698 -1.589 4.150 56 HG2 GLN 9 2HG GLN 9 -31.066 0.112 5.357 57 HG3 GLN 9 1HG GLN 9 -32.407 -0.233 4.265 58 HE21 GLN 9 1HE2 GLN 9 -33.292 -2.500 4.326 59 HE22 GLN 9 2HE2 GLN 9 -33.141 -3.403 5.766 60 H THR 10 H THR 10 -27.821 -0.612 3.846 61 HA THR 10 HA THR 10 -26.615 -1.465 1.334 62 HB THR 10 HB THR 10 -25.277 0.697 2.963 63 HG1 THR 10 1HG THR 10 -26.769 1.869 2.034 64 HG21 THR 10 3HG2 THR 10 -23.929 0.887 0.841 65 HG22 THR 10 1HG2 THR 10 -24.743 -0.568 0.264 66 HG23 THR 10 2HG2 THR 10 -23.719 -0.641 1.698 67 HA PRO 11 HA PRO 11 -24.960 -3.913 4.823 68 HB2 PRO 11 2HB PRO 11 -24.836 -6.308 3.605 69 HB3 PRO 11 1HB PRO 11 -26.384 -5.606 4.114 70 HG2 PRO 11 2HG PRO 11 -25.200 -5.808 1.404 71 HG3 PRO 11 1HG PRO 11 -26.896 -5.884 1.909 72 HD2 PRO 11 2HD PRO 11 -25.576 -3.621 0.843 73 HD3 PRO 11 1HD PRO 11 -27.170 -3.637 1.628 74 H GLY 12 H GLY 12 -22.845 -4.011 5.378 75 HA2 GLY 12 2HA GLY 12 -20.557 -4.186 5.260 76 HA3 GLY 12 1HA GLY 12 -20.784 -5.109 3.778 77 HA PRO 13 HA PRO 13 -20.494 -0.768 1.894 78 HB2 PRO 13 2HB PRO 13 -20.856 1.488 3.398 79 HB3 PRO 13 1HB PRO 13 -22.194 0.603 2.636 80 HG2 PRO 13 2HG PRO 13 -21.262 0.565 5.463 81 HG3 PRO 13 1HG PRO 13 -22.913 0.530 4.813 82 HD2 PRO 13 2HD PRO 13 -21.603 -1.708 5.723 83 HD3 PRO 13 1HD PRO 13 -22.879 -1.748 4.488 84 H MET 14 H MET 14 -18.256 -1.502 1.938 85 HA MET 14 HA MET 14 -16.419 -0.602 3.951 86 HB2 MET 14 2HB MET 14 -16.255 -2.091 1.378 87 HB3 MET 14 1HB MET 14 -14.794 -1.243 1.877 88 HG2 MET 14 2HG MET 14 -15.838 -2.567 4.198 89 HG3 MET 14 1HG MET 14 -15.874 -3.730 2.878 90 HE1 MET 14 3HE MET 14 -14.168 -4.236 5.427 91 HE2 MET 14 1HE MET 14 -14.069 -2.491 5.693 92 HE3 MET 14 2HE MET 14 -12.595 -3.447 5.536 93 H LEU 15 H LEU 15 -17.023 1.695 3.942 94 HA LEU 15 HA LEU 15 -16.365 3.292 1.620 95 HB2 LEU 15 2HB LEU 15 -17.766 3.676 4.121 96 HB3 LEU 15 1HB LEU 15 -16.568 4.952 3.932 97 HG LEU 15 HG LEU 15 -18.317 4.218 1.600 98 HD11 LEU 15 1HD1 LEU 15 -19.071 5.866 4.009 99 HD12 LEU 15 2HD1 LEU 15 -19.974 4.547 3.269 100 HD13 LEU 15 3HD1 LEU 15 -19.838 6.099 2.439 101 HD21 LEU 15 3HD2 LEU 15 -17.336 6.930 2.496 102 HD22 LEU 15 1HD2 LEU 15 -17.824 6.419 0.880 103 HD23 LEU 15 2HD2 LEU 15 -16.306 5.840 1.569 104 H CYS 16 H CYS 16 -14.610 4.655 1.354 105 HA CYS 16 HA CYS 16 -12.115 3.785 2.151 106 HB2 CYS 16 2HB CYS 16 -12.764 5.495 0.328 107 HB3 CYS 16 1HB CYS 16 -12.608 6.702 1.609 108 H SER 17 H SER 17 -10.996 3.803 3.952 109 HA SER 17 HA SER 17 -11.918 4.955 6.364 110 HB2 SER 17 2HB SER 17 -9.084 4.080 5.816 111 HB3 SER 17 1HB SER 17 -9.932 4.104 7.364 112 HG SER 17 HG SER 17 -9.772 2.105 5.733 113 H THR 18 H THR 18 -9.940 6.303 3.813 114 HA THR 18 HA THR 18 -8.678 8.298 5.457 115 HB THR 18 HB THR 18 -7.920 9.269 3.340 116 HG1 THR 18 1HG THR 18 -9.300 9.036 1.793 117 HG21 THR 18 3HG2 THR 18 -7.724 6.282 3.013 118 HG22 THR 18 1HG2 THR 18 -6.953 7.087 4.380 119 HG23 THR 18 2HG2 THR 18 -6.490 7.509 2.732 120 H GLY 19 H GLY 19 -11.806 8.050 3.955 121 HA2 GLY 19 2HA GLY 19 -13.608 9.485 4.303 122 HA3 GLY 19 1HA GLY 19 -12.496 10.682 4.965 123 H CYS 20 H CYS 20 -12.428 9.050 1.784 124 HA CYS 20 HA CYS 20 -12.207 11.673 0.517 125 HB2 CYS 20 2HB CYS 20 -11.639 10.452 -1.534 126 HB3 CYS 20 1HB CYS 20 -10.619 9.958 -0.177 127 H GLY 21 H GLY 21 -14.634 9.231 1.007 128 HA2 GLY 21 2HA GLY 21 -16.947 9.713 0.742 129 HA3 GLY 21 1HA GLY 21 -16.542 10.880 -0.508 130 H PHE 22 H PHE 22 -14.818 8.001 -1.055 131 HA PHE 22 HA PHE 22 -16.799 7.156 -3.064 132 HB2 PHE 22 2HB PHE 22 -13.782 7.050 -2.973 133 HB3 PHE 22 1HB PHE 22 -14.710 6.096 -4.133 134 HD1 PHE 22 1HD PHE 22 -16.326 7.270 -5.697 135 HD2 PHE 22 2HD PHE 22 -13.458 9.389 -3.299 136 HE1 PHE 22 1HE PHE 22 -16.598 9.269 -7.138 137 HE2 PHE 22 2HE PHE 22 -13.729 11.386 -4.745 138 HZ PHE 22 HZ PHE 22 -15.299 11.326 -6.660 139 H TYR 23 H TYR 23 -15.914 4.675 -3.689 140 HA TYR 23 HA TYR 23 -16.642 3.118 -1.304 141 HB2 TYR 23 2HB TYR 23 -17.784 2.979 -3.656 142 HB3 TYR 23 1HB TYR 23 -16.389 1.981 -4.072 143 HD1 TYR 23 2HD TYR 23 -18.718 2.333 -1.129 144 HD2 TYR 23 1HD TYR 23 -16.751 -0.302 -3.898 145 HE1 TYR 23 2HE TYR 23 -19.800 0.385 -0.044 146 HE2 TYR 23 1HE TYR 23 -17.836 -2.250 -2.810 147 HH TYR 23 HH TYR 23 -19.191 -2.174 0.161 148 H GLY 24 H GLY 24 -15.383 1.520 -0.451 149 HA2 GLY 24 2HA GLY 24 -12.610 1.304 -1.482 150 HA3 GLY 24 1HA GLY 24 -13.072 1.117 0.213 151 H ASN 25 H ASN 25 -11.563 -0.861 -0.790 152 HA ASN 25 HA ASN 25 -13.465 -3.086 -1.258 153 HB2 ASN 25 2HB ASN 25 -11.732 -2.303 -3.133 154 HB3 ASN 25 1HB ASN 25 -10.625 -3.295 -2.188 155 HD21 ASN 25 1HD2 ASN 25 -13.473 -3.377 -4.274 156 HD22 ASN 25 2HD2 ASN 25 -13.539 -5.078 -4.410 157 HA PRO 26 HA PRO 26 -11.507 -4.682 2.469 158 HB2 PRO 26 2HB PRO 26 -12.531 -7.174 2.529 159 HB3 PRO 26 1HB PRO 26 -13.529 -5.734 2.828 160 HG2 PRO 26 2HG PRO 26 -13.238 -7.333 0.322 161 HG3 PRO 26 1HG PRO 26 -14.715 -6.733 1.101 162 HD2 PRO 26 2HD PRO 26 -13.544 -5.451 -1.010 163 HD3 PRO 26 1HD PRO 26 -14.454 -4.591 0.250 164 H ARG 27 H ARG 27 -11.058 -6.092 -0.702 165 HA ARG 27 HA ARG 27 -9.080 -8.036 0.087 166 HB2 ARG 27 2HB ARG 27 -9.654 -6.863 -2.656 167 HB3 ARG 27 1HB ARG 27 -8.730 -8.326 -2.313 168 HG2 ARG 27 2HG ARG 27 -10.712 -9.407 -1.378 169 HG3 ARG 27 1HG ARG 27 -11.651 -7.930 -1.587 170 HD2 ARG 27 2HD ARG 27 -11.671 -8.125 -3.930 171 HD3 ARG 27 1HD ARG 27 -10.284 -9.207 -3.944 172 HE ARG 27 HE ARG 27 -12.468 -10.396 -2.546 173 HH11 ARG 27 1HH2 ARG 27 -11.406 -9.634 -5.812 174 HH12 ARG 27 2HH2 ARG 27 -12.231 -10.986 -6.505 175 HH21 ARG 27 1HH1 ARG 27 -13.515 -12.130 -3.504 176 HH22 ARG 27 2HH1 ARG 27 -13.414 -12.384 -5.214 177 H THR 28 H THR 28 -9.179 -4.701 -1.034 178 HA THR 28 HA THR 28 -6.309 -4.437 -1.310 179 HB THR 28 HB THR 28 -6.815 -2.071 -1.737 180 HG1 THR 28 1HG THR 28 -8.845 -1.278 -1.401 181 HG21 THR 28 3HG2 THR 28 -7.149 -3.389 -3.676 182 HG22 THR 28 1HG2 THR 28 -8.609 -2.408 -3.553 183 HG23 THR 28 2HG2 THR 28 -8.637 -4.095 -3.042 184 H ASN 29 H ASN 29 -6.151 -1.819 0.119 185 HA ASN 29 HA ASN 29 -5.768 -2.887 2.809 186 HB2 ASN 29 2HB ASN 29 -4.473 -0.907 1.165 187 HB3 ASN 29 1HB ASN 29 -4.964 -0.146 2.674 188 HD21 ASN 29 1HD2 ASN 29 -3.616 -3.382 1.773 189 HD22 ASN 29 2HD2 ASN 29 -2.410 -3.369 2.979 190 H GLY 30 H GLY 30 -8.550 -2.262 1.806 191 HA2 GLY 30 2HA GLY 30 -10.455 -1.540 2.868 192 HA3 GLY 30 1HA GLY 30 -9.446 -0.826 4.126 193 H MET 31 H MET 31 -8.433 0.147 1.004 194 HA MET 31 HA MET 31 -9.898 2.702 1.270 195 HB2 MET 31 2HB MET 31 -7.046 2.012 0.705 196 HB3 MET 31 1HB MET 31 -7.721 3.431 -0.100 197 HG2 MET 31 2HG MET 31 -6.768 4.188 1.951 198 HG3 MET 31 1HG MET 31 -8.507 4.212 2.186 199 HE1 MET 31 3HE MET 31 -5.977 4.307 3.891 200 HE2 MET 31 1HE MET 31 -5.116 2.763 3.850 201 HE3 MET 31 2HE MET 31 -6.064 3.209 5.265 202 H CYS 32 H CYS 32 -9.942 3.924 -0.840 203 HA CYS 32 HA CYS 32 -11.109 2.258 -2.871 204 HB2 CYS 32 2HB CYS 32 -11.789 4.341 -3.915 205 HB3 CYS 32 1HB CYS 32 -12.067 4.462 -2.180 206 H SER 33 H SER 33 -10.369 3.700 -5.211 207 HA SER 33 HA SER 33 -7.931 2.329 -5.840 208 HB2 SER 33 2HB SER 33 -10.102 3.200 -7.286 209 HB3 SER 33 1HB SER 33 -8.836 4.306 -7.810 210 HG SER 33 HG SER 33 -9.123 2.067 -8.824 211 H VAL 34 H VAL 34 -8.739 5.817 -5.568 212 HA VAL 34 HA VAL 34 -6.146 6.710 -6.311 213 HB VAL 34 HB VAL 34 -8.128 8.235 -4.610 214 HG11 VAL 34 1HG1 VAL 34 -6.075 9.145 -6.652 215 HG12 VAL 34 2HG1 VAL 34 -5.853 9.206 -4.904 216 HG13 VAL 34 3HG1 VAL 34 -7.101 10.188 -5.668 217 HG21 VAL 34 3HG2 VAL 34 -8.743 9.144 -7.026 218 HG22 VAL 34 1HG2 VAL 34 -9.505 7.675 -6.412 219 HG23 VAL 34 2HG2 VAL 34 -8.158 7.561 -7.541 220 H CYS 35 H CYS 35 -7.712 6.665 -3.101 221 HA CYS 35 HA CYS 35 -5.550 7.529 -1.585 222 HB2 CYS 35 2HB CYS 35 -7.794 5.665 -0.778 223 HB3 CYS 35 1HB CYS 35 -6.701 6.483 0.343 224 H TYR 36 H TYR 36 -6.338 4.256 -2.674 225 HA TYR 36 HA TYR 36 -4.595 2.813 -1.032 226 HB2 TYR 36 2HB TYR 36 -6.306 1.743 -2.416 227 HB3 TYR 36 1HB TYR 36 -5.411 2.167 -3.870 228 HD1 TYR 36 2HD TYR 36 -4.460 0.720 -0.527 229 HD2 TYR 36 1HD TYR 36 -4.375 0.279 -4.800 230 HE1 TYR 36 2HE TYR 36 -3.138 -1.358 -0.285 231 HE2 TYR 36 1HE TYR 36 -3.058 -1.809 -4.554 232 HH TYR 36 HH TYR 36 -2.768 -3.590 -2.690 233 H LYS 37 H LYS 37 -3.950 4.521 -4.052 234 HA LYS 37 HA LYS 37 -1.224 3.586 -4.226 235 HB2 LYS 37 2HB LYS 37 -2.766 4.423 -6.151 236 HB3 LYS 37 1HB LYS 37 -2.260 6.031 -5.629 237 HG2 LYS 37 2HG LYS 37 0.142 5.181 -5.785 238 HG3 LYS 37 1HG LYS 37 -0.512 3.773 -6.622 239 HD2 LYS 37 2HD LYS 37 -1.420 5.142 -8.383 240 HD3 LYS 37 1HD LYS 37 -1.051 6.621 -7.496 241 HE2 LYS 37 2HE LYS 37 1.394 5.903 -7.579 242 HE3 LYS 37 1HE LYS 37 0.899 4.678 -8.745 243 HZ1 LYS 37 3HZ LYS 37 -0.000 6.429 -10.148 244 HZ2 LYS 37 1HZ LYS 37 1.650 6.685 -9.854 245 HZ3 LYS 37 2HZ LYS 37 0.488 7.608 -9.027 246 H GLU 38 H GLU 38 -2.852 6.603 -3.294 247 HA GLU 38 HA GLU 38 -0.617 8.178 -2.787 248 HB2 GLU 38 2HB GLU 38 -3.381 8.192 -1.597 249 HB3 GLU 38 1HB GLU 38 -2.165 9.391 -1.154 250 HG2 GLU 38 2HG GLU 38 -1.880 9.685 -3.738 251 HG3 GLU 38 1HG GLU 38 -3.465 8.915 -3.829 252 H HIS 39 H HIS 39 -2.248 5.899 -0.547 253 HA HIS 39 HA HIS 39 -0.427 6.679 1.581 254 HB2 HIS 39 2HB HIS 39 -1.639 5.297 3.053 255 HB3 HIS 39 1HB HIS 39 -2.836 6.031 2.001 256 HD1 HIS 39 1HD HIS 39 -4.622 4.358 1.637 257 HD2 HIS 39 2HD HIS 39 -0.871 2.554 1.559 258 HE1 HIS 39 1HE HIS 39 -5.017 1.891 1.231 259 HE2 HIS 39 2HE HIS 39 -2.736 0.784 1.165 260 H LEU 40 H LEU 40 -0.683 4.043 -0.713 261 HA LEU 40 HA LEU 40 1.209 2.298 0.465 262 HB2 LEU 40 2HB LEU 40 -0.398 1.758 -1.425 263 HB3 LEU 40 1HB LEU 40 0.730 2.585 -2.505 264 HG LEU 40 HG LEU 40 2.522 1.024 -1.460 265 HD11 LEU 40 1HD1 LEU 40 1.006 0.263 0.381 266 HD12 LEU 40 2HD1 LEU 40 1.671 -1.073 -0.561 267 HD13 LEU 40 3HD1 LEU 40 0.007 -0.548 -0.825 268 HD21 LEU 40 3HD2 LEU 40 2.060 -0.675 -3.132 269 HD22 LEU 40 1HD2 LEU 40 1.566 0.884 -3.790 270 HD23 LEU 40 2HD2 LEU 40 0.352 -0.235 -3.170 271 H GLN 41 H GLN 41 1.601 5.165 -1.512 272 HA GLN 41 HA GLN 41 4.251 4.767 -2.393 273 HB2 GLN 41 2HB GLN 41 2.583 6.587 -3.115 274 HB3 GLN 41 1HB GLN 41 3.133 7.475 -1.692 275 HG2 GLN 41 2HG GLN 41 4.610 8.273 -3.306 276 HG3 GLN 41 1HG GLN 41 5.534 6.923 -2.638 277 HE21 GLN 41 1HE2 GLN 41 5.460 8.144 -5.461 278 HE22 GLN 41 2HE2 GLN 41 5.181 6.805 -6.481 279 H ARG 42 H ARG 42 2.980 6.216 0.582 280 HA ARG 42 HA ARG 42 5.626 6.855 1.586 281 HB2 ARG 42 2HB ARG 42 3.523 8.219 2.011 282 HB3 ARG 42 1HB ARG 42 3.017 6.932 3.105 283 HG2 ARG 42 2HG ARG 42 5.256 7.226 4.287 284 HG3 ARG 42 1HG ARG 42 5.467 8.695 3.331 285 HD2 ARG 42 2HD ARG 42 3.255 9.505 4.206 286 HD3 ARG 42 1HD ARG 42 3.208 8.098 5.264 287 HE ARG 42 HE ARG 42 4.683 9.190 6.657 288 HH11 ARG 42 1HH2 ARG 42 4.928 10.643 3.462 289 HH12 ARG 42 2HH2 ARG 42 6.063 11.837 3.982 290 HH21 ARG 42 1HH1 ARG 42 6.135 10.779 7.274 291 HH22 ARG 42 2HH1 ARG 42 6.729 11.923 6.119 292 H GLN 43 H GLN 43 3.221 4.314 2.013 293 HA GLN 43 HA GLN 43 4.404 3.192 4.372 294 HB2 GLN 43 2HB GLN 43 1.993 2.881 3.505 295 HB3 GLN 43 1HB GLN 43 2.682 1.659 2.435 296 HG2 GLN 43 2HG GLN 43 3.610 0.461 4.366 297 HG3 GLN 43 1HG GLN 43 2.978 1.697 5.452 298 HE21 GLN 43 1HE2 GLN 43 1.830 -0.634 2.953 299 HE22 GLN 43 2HE2 GLN 43 0.337 -0.925 3.707 300 H GLN 44 H GLN 44 4.476 2.294 0.921 301 HA GLN 44 HA GLN 44 6.163 0.041 1.211 302 HB2 GLN 44 2HB GLN 44 4.730 0.887 -0.826 303 HB3 GLN 44 1HB GLN 44 6.227 1.701 -1.282 304 HG2 GLN 44 2HG GLN 44 7.430 -0.465 -1.133 305 HG3 GLN 44 1HG GLN 44 5.912 -1.264 -0.735 306 HE21 GLN 44 1HE2 GLN 44 4.424 -1.700 -2.452 307 HE22 GLN 44 2HE2 GLN 44 4.784 -1.363 -4.085 308 H ASN 45 H ASN 45 6.912 3.441 1.234 309 HA ASN 45 HA ASN 45 9.547 3.471 0.302 310 HB2 ASN 45 2HB ASN 45 8.099 5.455 0.919 311 HB3 ASN 45 1HB ASN 45 8.520 5.137 2.601 312 HD21 ASN 45 1HD2 ASN 45 10.914 5.190 3.130 313 HD22 ASN 45 2HD2 ASN 45 11.927 6.205 2.206 314 H SER 46 H SER 46 8.282 2.438 3.421 315 HA SER 46 HA SER 46 10.654 2.472 4.927 316 HB2 SER 46 2HB SER 46 8.198 2.010 5.654 317 HB3 SER 46 1HB SER 46 8.587 0.330 5.306 318 HG SER 46 HG SER 46 9.044 1.394 7.515 319 H GLY 47 H GLY 47 9.155 -0.486 3.557 320 HA2 GLY 47 2HA GLY 47 10.091 -2.391 2.668 321 HA3 GLY 47 1HA GLY 47 11.530 -1.435 2.326 322 H ARG 48 H ARG 48 9.833 -2.765 5.190 323 HA ARG 48 HA ARG 48 12.429 -3.252 6.467 324 HB2 ARG 48 2HB ARG 48 11.071 -3.773 8.490 325 HB3 ARG 48 1HB ARG 48 10.796 -2.149 7.868 326 HG2 ARG 48 2HG ARG 48 8.656 -2.634 7.133 327 HG3 ARG 48 1HG ARG 48 9.014 -4.341 6.875 328 HD2 ARG 48 2HD ARG 48 8.842 -4.846 9.179 329 HD3 ARG 48 1HD ARG 48 8.983 -3.155 9.647 330 HE ARG 48 HE ARG 48 6.676 -3.385 8.081 331 HH11 ARG 48 1HH2 ARG 48 7.843 -4.599 11.173 332 HH12 ARG 48 2HH2 ARG 48 6.253 -4.697 11.848 333 HH21 ARG 48 1HH1 ARG 48 4.643 -3.532 9.016 334 HH22 ARG 48 2HH1 ARG 48 4.462 -4.099 10.644 335 H MET 49 H MET 49 12.651 -4.911 4.606 336 HA MET 49 HA MET 49 11.284 -7.441 5.090 337 HB2 MET 49 2HB MET 49 11.954 -6.449 2.783 338 HB3 MET 49 1HB MET 49 13.566 -7.050 3.172 339 HG2 MET 49 2HG MET 49 12.534 -8.829 1.988 340 HG3 MET 49 1HG MET 49 12.421 -9.296 3.684 341 HE1 MET 49 3HE MET 49 10.066 -9.962 0.797 342 HE2 MET 49 1HE MET 49 9.367 -10.793 2.194 343 HE3 MET 49 2HE MET 49 11.114 -10.754 1.971 344 H SER 50 H SER 50 14.713 -6.446 4.814 345 HA SER 50 HA SER 50 15.503 -8.709 6.497 346 HB2 SER 50 2HB SER 50 16.685 -7.806 4.299 347 HB3 SER 50 1HB SER 50 17.462 -6.709 5.437 348 HG SER 50 HG SER 50 18.572 -8.329 6.205 349 HA PRO 51 HA PRO 51 15.863 -6.395 10.253 350 HB2 PRO 51 2HB PRO 51 18.601 -7.476 10.670 351 HB3 PRO 51 1HB PRO 51 17.159 -7.618 11.694 352 HG2 PRO 51 2HG PRO 51 18.092 -9.674 10.266 353 HG3 PRO 51 1HG PRO 51 16.361 -9.433 10.554 354 HD2 PRO 51 2HD PRO 51 17.947 -8.931 8.066 355 HD3 PRO 51 1HD PRO 51 16.268 -9.489 8.243 356 H MET 52 H MET 52 18.832 -6.407 8.286 357 HA MET 52 HA MET 52 19.819 -3.920 9.322 358 HB2 MET 52 2HB MET 52 20.551 -5.434 6.802 359 HB3 MET 52 1HB MET 52 21.452 -4.073 7.472 360 HG2 MET 52 2HG MET 52 21.906 -5.321 9.515 361 HG3 MET 52 1HG MET 52 20.898 -6.657 8.959 362 HE1 MET 52 3HE MET 52 24.120 -8.533 8.573 363 HE2 MET 52 1HE MET 52 22.400 -8.565 8.983 364 HE3 MET 52 2HE MET 52 23.511 -7.556 9.905 365 H GLY 53 H GLY 53 18.664 -4.787 6.044 366 HA2 GLY 53 2HA GLY 53 16.717 -3.280 5.314 367 HA3 GLY 53 1HA GLY 53 17.846 -1.972 5.651 368 H THR 54 H THR 54 20.214 -3.153 4.683 369 HA THR 54 HA THR 54 19.646 -3.540 1.801 370 HB THR 54 HB THR 54 21.713 -2.184 1.363 371 HG1 THR 54 1HG THR 54 22.768 -2.144 3.248 372 HG21 THR 54 3HG2 THR 54 20.570 0.033 2.090 373 HG22 THR 54 1HG2 THR 54 19.276 -1.009 2.685 374 HG23 THR 54 2HG2 THR 54 19.705 -1.024 0.974 375 H ALA 55 H ALA 55 20.551 -5.323 0.997 376 HA ALA 55 HA ALA 55 22.496 -6.793 2.614 377 HB1 ALA 55 1HB ALA 55 20.492 -7.922 1.602 378 HB2 ALA 55 2HB ALA 55 22.033 -8.658 1.161 379 HB3 ALA 55 3HB ALA 55 21.192 -7.617 0.012 380 H SER 56 H SER 56 24.226 -7.993 1.244 381 HA SER 56 HA SER 56 25.298 -6.374 -0.942 382 HB2 SER 56 2HB SER 56 26.728 -6.803 1.685 383 HB3 SER 56 1HB SER 56 27.550 -6.314 0.206 384 HG SER 56 HG SER 56 26.720 -4.623 1.735 385 H GLY 57 H GLY 57 27.528 -7.423 -1.608 386 HA2 GLY 57 2HA GLY 57 28.719 -9.277 -2.302 387 HA3 GLY 57 1HA GLY 57 27.828 -10.238 -1.126 388 H SER 58 H SER 58 27.318 -8.540 -4.231 389 HA SER 58 HA SER 58 26.013 -10.918 -5.311 390 HB2 SER 58 2HB SER 58 24.062 -9.524 -6.097 391 HB3 SER 58 1HB SER 58 24.110 -9.812 -4.359 392 HG SER 58 HG SER 58 23.908 -7.521 -5.465 393 H ASN 59 H ASN 59 28.505 -9.486 -5.853 394 HA ASN 59 HA ASN 59 28.016 -8.253 -8.478 395 HB2 ASN 59 2HB ASN 59 30.441 -7.658 -8.370 396 HB3 ASN 59 1HB ASN 59 29.495 -6.985 -7.047 397 HD21 ASN 59 1HD2 ASN 59 31.993 -9.351 -7.862 398 HD22 ASN 59 2HD2 ASN 59 32.417 -9.716 -6.260 399 H SER 60 H SER 60 28.340 -9.321 -10.322 400 HA SER 60 HA SER 60 30.299 -11.457 -10.518 401 HB2 SER 60 2HB SER 60 27.337 -11.960 -10.614 402 HB3 SER 60 1HB SER 60 28.446 -12.966 -11.541 403 HG SER 60 HG SER 60 28.161 -13.863 -9.505 404 HA PRO 61 HA PRO 61 30.389 -9.924 -14.675 405 HB2 PRO 61 2HB PRO 61 31.301 -12.061 -16.098 406 HB3 PRO 61 1HB PRO 61 32.325 -11.148 -14.973 407 HG2 PRO 61 2HG PRO 61 30.973 -13.769 -14.601 408 HG3 PRO 61 1HG PRO 61 32.569 -13.231 -14.054 409 HD2 PRO 61 2HD PRO 61 30.343 -13.340 -12.426 410 HD3 PRO 61 1HD PRO 61 31.731 -12.271 -12.138 411 H THR 62 H THR 62 29.285 -9.913 -16.693 412 HA THR 62 HA THR 62 26.733 -11.325 -16.659 413 HB THR 62 HB THR 62 26.266 -9.874 -18.665 414 HG1 THR 62 1HG THR 62 27.987 -9.080 -19.542 415 HG21 THR 62 3HG2 THR 62 27.261 -8.291 -16.290 416 HG22 THR 62 1HG2 THR 62 25.790 -9.262 -16.235 417 HG23 THR 62 2HG2 THR 62 25.910 -7.908 -17.358 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -32.343 -20.354 11.170 2 H2 GLY 1 2HT GLY 1 -31.867 -20.011 9.574 3 H3 GLY 1 3HT GLY 1 -33.516 -20.077 9.977 4 HA2 GLY 1 2HA GLY 1 -32.956 -17.795 9.802 5 HA3 GLY 1 1HA GLY 1 -33.145 -18.168 11.516 6 H SER 2 H SER 2 -31.384 -16.266 9.770 7 HA SER 2 HA SER 2 -28.701 -17.047 10.607 8 HB2 SER 2 2HB SER 2 -29.832 -14.822 8.931 9 HB3 SER 2 1HB SER 2 -28.173 -14.755 9.517 10 HG SER 2 HG SER 2 -28.527 -15.784 7.410 11 H MET 3 H MET 3 -27.550 -16.136 12.244 12 HA MET 3 HA MET 3 -28.990 -14.261 14.010 13 HB2 MET 3 2HB MET 3 -27.987 -16.546 14.783 14 HB3 MET 3 1HB MET 3 -26.447 -15.689 14.745 15 HG2 MET 3 2HG MET 3 -27.385 -13.952 16.242 16 HG3 MET 3 1HG MET 3 -28.908 -14.840 16.302 17 HE1 MET 3 3HE MET 3 -25.322 -14.551 17.001 18 HE2 MET 3 1HE MET 3 -25.045 -16.218 16.477 19 HE3 MET 3 2HE MET 3 -24.884 -15.787 18.177 20 H ALA 4 H ALA 4 -27.758 -13.331 11.570 21 HA ALA 4 HA ALA 4 -25.484 -11.741 12.600 22 HB1 ALA 4 1HB ALA 4 -24.766 -11.500 10.298 23 HB2 ALA 4 2HB ALA 4 -26.214 -12.327 9.723 24 HB3 ALA 4 3HB ALA 4 -25.001 -13.211 10.647 25 H GLN 5 H GLN 5 -28.594 -11.605 10.932 26 HA GLN 5 HA GLN 5 -28.446 -8.678 10.765 27 HB2 GLN 5 2HB GLN 5 -30.368 -10.712 9.621 28 HB3 GLN 5 1HB GLN 5 -30.621 -8.971 9.499 29 HG2 GLN 5 2HG GLN 5 -28.000 -10.174 8.648 30 HG3 GLN 5 1HG GLN 5 -29.383 -10.206 7.555 31 HE21 GLN 5 1HE2 GLN 5 -30.322 -8.072 6.923 32 HE22 GLN 5 2HE2 GLN 5 -29.345 -6.674 6.992 33 H GLU 6 H GLU 6 -28.566 -9.637 13.383 34 HA GLU 6 HA GLU 6 -31.224 -8.660 14.210 35 HB2 GLU 6 2HB GLU 6 -31.202 -10.335 16.076 36 HB3 GLU 6 1HB GLU 6 -31.363 -11.060 14.477 37 HG2 GLU 6 2HG GLU 6 -29.141 -11.843 14.474 38 HG3 GLU 6 1HG GLU 6 -28.649 -10.726 15.745 39 H THR 7 H THR 7 -29.123 -6.979 14.028 40 HA THR 7 HA THR 7 -28.583 -6.359 16.845 41 HB THR 7 HB THR 7 -26.200 -5.776 16.222 42 HG1 THR 7 1HG THR 7 -25.689 -6.019 14.220 43 HG21 THR 7 3HG2 THR 7 -26.894 -8.703 15.893 44 HG22 THR 7 1HG2 THR 7 -26.947 -7.866 17.443 45 HG23 THR 7 2HG2 THR 7 -25.419 -8.020 16.577 46 H ASN 8 H ASN 8 -27.618 -4.113 17.041 47 HA ASN 8 HA ASN 8 -29.270 -2.273 15.598 48 HB2 ASN 8 2HB ASN 8 -28.459 -2.061 18.008 49 HB3 ASN 8 1HB ASN 8 -26.915 -1.547 17.334 50 HD21 ASN 8 1HD2 ASN 8 -30.293 -0.618 17.786 51 HD22 ASN 8 2HD2 ASN 8 -30.101 0.994 17.261 52 H GLN 9 H GLN 9 -25.865 -3.207 15.438 53 HA GLN 9 HA GLN 9 -25.365 -1.238 13.313 54 HB2 GLN 9 2HB GLN 9 -23.762 -1.677 15.290 55 HB3 GLN 9 1HB GLN 9 -23.349 -3.168 14.448 56 HG2 GLN 9 2HG GLN 9 -21.780 -1.800 13.472 57 HG3 GLN 9 1HG GLN 9 -23.117 -1.464 12.376 58 HE21 GLN 9 1HE2 GLN 9 -24.356 0.568 12.764 59 HE22 GLN 9 2HE2 GLN 9 -23.618 1.857 13.605 60 H THR 10 H THR 10 -25.253 -1.789 11.208 61 HA THR 10 HA THR 10 -24.932 -4.632 10.488 62 HB THR 10 HB THR 10 -27.316 -4.254 10.382 63 HG1 THR 10 1HG THR 10 -27.598 -4.710 8.193 64 HG21 THR 10 3HG2 THR 10 -27.015 -2.112 8.312 65 HG22 THR 10 1HG2 THR 10 -26.893 -1.662 10.013 66 HG23 THR 10 2HG2 THR 10 -28.359 -2.430 9.407 67 HA PRO 11 HA PRO 11 -22.091 -2.130 7.891 68 HB2 PRO 11 2HB PRO 11 -20.083 -3.915 7.714 69 HB3 PRO 11 1HB PRO 11 -20.353 -2.971 9.195 70 HG2 PRO 11 2HG PRO 11 -21.145 -5.784 8.579 71 HG3 PRO 11 1HG PRO 11 -20.406 -5.118 10.048 72 HD2 PRO 11 2HD PRO 11 -23.097 -5.604 9.826 73 HD3 PRO 11 1HD PRO 11 -22.419 -4.339 10.875 74 H GLY 12 H GLY 12 -20.699 -2.995 5.851 75 HA2 GLY 12 2HA GLY 12 -21.229 -5.105 4.264 76 HA3 GLY 12 1HA GLY 12 -22.658 -4.101 4.014 77 HA PRO 13 HA PRO 13 -20.269 -1.534 1.301 78 HB2 PRO 13 2HB PRO 13 -20.864 1.045 1.911 79 HB3 PRO 13 1HB PRO 13 -22.062 -0.081 1.243 80 HG2 PRO 13 2HG PRO 13 -21.762 0.949 3.990 81 HG3 PRO 13 1HG PRO 13 -23.212 0.399 3.133 82 HD2 PRO 13 2HD PRO 13 -21.705 -1.075 5.040 83 HD3 PRO 13 1HD PRO 13 -23.028 -1.684 4.021 84 H MET 14 H MET 14 -18.085 -1.901 1.685 85 HA MET 14 HA MET 14 -16.642 -0.713 3.848 86 HB2 MET 14 2HB MET 14 -15.945 -2.311 1.416 87 HB3 MET 14 1HB MET 14 -14.654 -1.417 2.220 88 HG2 MET 14 2HG MET 14 -16.536 -3.140 3.823 89 HG3 MET 14 1HG MET 14 -15.155 -3.859 2.994 90 HE1 MET 14 3HE MET 14 -16.410 -1.715 5.970 91 HE2 MET 14 1HE MET 14 -15.148 -2.317 7.054 92 HE3 MET 14 2HE MET 14 -16.127 -3.448 6.123 93 H LEU 15 H LEU 15 -17.243 1.520 3.651 94 HA LEU 15 HA LEU 15 -16.491 3.047 1.332 95 HB2 LEU 15 2HB LEU 15 -18.068 3.465 3.663 96 HB3 LEU 15 1HB LEU 15 -16.792 4.679 3.709 97 HG LEU 15 HG LEU 15 -17.373 5.264 1.321 98 HD11 LEU 15 1HD1 LEU 15 -18.589 2.943 1.094 99 HD12 LEU 15 2HD1 LEU 15 -19.246 4.349 0.254 100 HD13 LEU 15 3HD1 LEU 15 -19.969 3.807 1.768 101 HD21 LEU 15 3HD2 LEU 15 -18.303 6.341 3.502 102 HD22 LEU 15 1HD2 LEU 15 -19.805 5.516 3.084 103 HD23 LEU 15 2HD2 LEU 15 -19.117 6.707 1.980 104 H CYS 16 H CYS 16 -14.734 4.462 1.119 105 HA CYS 16 HA CYS 16 -12.262 3.622 1.948 106 HB2 CYS 16 2HB CYS 16 -12.899 5.395 0.184 107 HB3 CYS 16 1HB CYS 16 -12.782 6.549 1.517 108 H SER 17 H SER 17 -11.163 3.585 3.743 109 HA SER 17 HA SER 17 -12.087 4.601 6.211 110 HB2 SER 17 2HB SER 17 -9.426 3.521 5.306 111 HB3 SER 17 1HB SER 17 -9.682 4.087 6.959 112 HG SER 17 HG SER 17 -10.995 2.447 7.329 113 H THR 18 H THR 18 -10.049 6.033 3.745 114 HA THR 18 HA THR 18 -8.880 8.043 5.394 115 HB THR 18 HB THR 18 -8.164 9.083 3.306 116 HG1 THR 18 1HG THR 18 -9.459 8.894 1.698 117 HG21 THR 18 3HG2 THR 18 -6.974 7.132 2.333 118 HG22 THR 18 1HG2 THR 18 -8.033 6.050 3.242 119 HG23 THR 18 2HG2 THR 18 -6.921 7.120 4.094 120 H GLY 19 H GLY 19 -12.026 7.765 3.918 121 HA2 GLY 19 2HA GLY 19 -13.868 9.119 4.338 122 HA3 GLY 19 1HA GLY 19 -12.800 10.310 5.077 123 H CYS 20 H CYS 20 -12.350 8.940 1.851 124 HA CYS 20 HA CYS 20 -12.290 11.594 0.712 125 HB2 CYS 20 2HB CYS 20 -11.663 10.487 -1.373 126 HB3 CYS 20 1HB CYS 20 -10.699 9.867 -0.031 127 H GLY 21 H GLY 21 -14.760 9.231 1.182 128 HA2 GLY 21 2HA GLY 21 -17.046 9.702 0.863 129 HA3 GLY 21 1HA GLY 21 -16.611 10.886 -0.361 130 H PHE 22 H PHE 22 -14.916 8.006 -0.951 131 HA PHE 22 HA PHE 22 -16.958 7.120 -2.892 132 HB2 PHE 22 2HB PHE 22 -13.945 7.101 -3.112 133 HB3 PHE 22 1HB PHE 22 -15.032 6.310 -4.260 134 HD1 PHE 22 2HD PHE 22 -16.839 7.735 -5.388 135 HD2 PHE 22 1HD PHE 22 -13.486 9.417 -3.297 136 HE1 PHE 22 2HE PHE 22 -17.190 9.888 -6.567 137 HE2 PHE 22 1HE PHE 22 -13.830 11.575 -4.480 138 HZ PHE 22 HZ PHE 22 -15.686 11.806 -6.115 139 H TYR 23 H TYR 23 -16.684 4.799 -3.569 140 HA TYR 23 HA TYR 23 -16.861 3.105 -1.280 141 HB2 TYR 23 2HB TYR 23 -17.983 2.905 -3.637 142 HB3 TYR 23 1HB TYR 23 -16.505 2.041 -4.064 143 HD1 TYR 23 2HD TYR 23 -18.799 2.141 -1.068 144 HD2 TYR 23 1HD TYR 23 -16.708 -0.257 -3.955 145 HE1 TYR 23 2HE TYR 23 -19.677 0.085 0.007 146 HE2 TYR 23 1HE TYR 23 -17.585 -2.313 -2.884 147 HH TYR 23 HH TYR 23 -18.505 -2.715 -0.156 148 H GLY 24 H GLY 24 -15.509 1.513 -0.516 149 HA2 GLY 24 2HA GLY 24 -12.714 1.541 -1.513 150 HA3 GLY 24 1HA GLY 24 -13.165 1.298 0.176 151 H ASN 25 H ASN 25 -11.524 -0.567 -0.910 152 HA ASN 25 HA ASN 25 -13.295 -2.882 -1.460 153 HB2 ASN 25 2HB ASN 25 -11.500 -2.060 -3.209 154 HB3 ASN 25 1HB ASN 25 -10.386 -2.935 -2.167 155 HD21 ASN 25 1HD2 ASN 25 -10.145 -5.092 -2.737 156 HD22 ASN 25 2HD2 ASN 25 -11.324 -6.027 -3.537 157 HA PRO 26 HA PRO 26 -11.570 -4.467 2.338 158 HB2 PRO 26 2HB PRO 26 -12.566 -6.986 2.305 159 HB3 PRO 26 1HB PRO 26 -13.550 -5.547 2.633 160 HG2 PRO 26 2HG PRO 26 -13.366 -7.194 0.177 161 HG3 PRO 26 1HG PRO 26 -14.752 -6.328 0.857 162 HD2 PRO 26 2HD PRO 26 -13.153 -5.433 -1.267 163 HD3 PRO 26 1HD PRO 26 -14.271 -4.432 -0.320 164 H ARG 27 H ARG 27 -10.942 -6.062 -0.746 165 HA ARG 27 HA ARG 27 -8.937 -7.846 0.298 166 HB2 ARG 27 2HB ARG 27 -9.353 -6.949 -2.571 167 HB3 ARG 27 1HB ARG 27 -8.420 -8.339 -2.026 168 HG2 ARG 27 2HG ARG 27 -11.324 -8.107 -1.259 169 HG3 ARG 27 1HG ARG 27 -10.893 -8.697 -2.860 170 HD2 ARG 27 2HD ARG 27 -9.491 -10.455 -1.833 171 HD3 ARG 27 1HD ARG 27 -9.928 -9.863 -0.231 172 HE ARG 27 HE ARG 27 -12.258 -10.472 -1.775 173 HH11 ARG 27 1HH2 ARG 27 -9.706 -11.996 0.110 174 HH12 ARG 27 2HH2 ARG 27 -10.663 -13.392 0.460 175 HH21 ARG 27 1HH1 ARG 27 -13.446 -12.309 -1.281 176 HH22 ARG 27 2HH1 ARG 27 -12.766 -13.561 -0.294 177 H THR 28 H THR 28 -9.056 -4.573 -1.012 178 HA THR 28 HA THR 28 -6.186 -4.259 -1.197 179 HB THR 28 HB THR 28 -6.699 -1.892 -1.597 180 HG1 THR 28 1HG THR 28 -8.627 -1.064 -1.143 181 HG21 THR 28 3HG2 THR 28 -8.233 -2.129 -3.528 182 HG22 THR 28 1HG2 THR 28 -8.664 -3.743 -2.966 183 HG23 THR 28 2HG2 THR 28 -7.014 -3.404 -3.488 184 H ASN 29 H ASN 29 -6.040 -1.673 0.250 185 HA ASN 29 HA ASN 29 -5.727 -2.734 2.949 186 HB2 ASN 29 2HB ASN 29 -4.675 -0.416 1.394 187 HB3 ASN 29 1HB ASN 29 -4.809 -0.204 3.140 188 HD21 ASN 29 1HD2 ASN 29 -4.011 -3.254 1.398 189 HD22 ASN 29 2HD2 ASN 29 -2.460 -3.406 2.088 190 H GLY 30 H GLY 30 -8.504 -2.066 1.823 191 HA2 GLY 30 2HA GLY 30 -10.440 -1.351 2.873 192 HA3 GLY 30 1HA GLY 30 -9.451 -0.616 4.132 193 H MET 31 H MET 31 -8.383 0.289 1.010 194 HA MET 31 HA MET 31 -9.858 2.848 1.165 195 HB2 MET 31 2HB MET 31 -6.976 2.200 0.657 196 HB3 MET 31 1HB MET 31 -7.680 3.621 -0.116 197 HG2 MET 31 2HG MET 31 -6.759 4.356 1.951 198 HG3 MET 31 1HG MET 31 -8.502 4.327 2.180 199 HE1 MET 31 3HE MET 31 -5.079 2.820 3.933 200 HE2 MET 31 1HE MET 31 -6.095 3.436 5.241 201 HE3 MET 31 2HE MET 31 -5.866 4.389 3.778 202 H CYS 32 H CYS 32 -10.042 3.958 -0.923 203 HA CYS 32 HA CYS 32 -11.030 2.212 -2.949 204 HB2 CYS 32 2HB CYS 32 -11.758 4.259 -4.069 205 HB3 CYS 32 1HB CYS 32 -12.129 4.369 -2.350 206 H SER 33 H SER 33 -10.254 3.743 -5.292 207 HA SER 33 HA SER 33 -7.791 2.400 -5.856 208 HB2 SER 33 2HB SER 33 -9.889 3.173 -7.378 209 HB3 SER 33 1HB SER 33 -8.744 4.452 -7.765 210 HG SER 33 HG SER 33 -8.541 1.670 -8.137 211 H VAL 34 H VAL 34 -8.651 5.872 -5.598 212 HA VAL 34 HA VAL 34 -6.028 6.813 -6.205 213 HB VAL 34 HB VAL 34 -8.158 8.304 -4.644 214 HG11 VAL 34 1HG1 VAL 34 -6.981 10.177 -6.145 215 HG12 VAL 34 2HG1 VAL 34 -5.638 9.033 -6.093 216 HG13 VAL 34 3HG1 VAL 34 -6.300 9.685 -4.595 217 HG21 VAL 34 3HG2 VAL 34 -8.866 9.179 -6.889 218 HG22 VAL 34 1HG2 VAL 34 -9.195 7.459 -6.684 219 HG23 VAL 34 2HG2 VAL 34 -7.816 7.983 -7.647 220 H CYS 35 H CYS 35 -7.772 6.552 -3.118 221 HA CYS 35 HA CYS 35 -5.700 7.482 -1.463 222 HB2 CYS 35 2HB CYS 35 -7.990 5.618 -0.829 223 HB3 CYS 35 1HB CYS 35 -6.962 6.388 0.377 224 H TYR 36 H TYR 36 -6.447 4.185 -2.564 225 HA TYR 36 HA TYR 36 -4.751 2.790 -0.830 226 HB2 TYR 36 2HB TYR 36 -6.419 1.634 -2.153 227 HB3 TYR 36 1HB TYR 36 -5.596 2.080 -3.647 228 HD1 TYR 36 1HD TYR 36 -4.359 0.687 -0.363 229 HD2 TYR 36 2HD TYR 36 -4.653 0.184 -4.620 230 HE1 TYR 36 1HE TYR 36 -2.948 -1.348 -0.221 231 HE2 TYR 36 2HE TYR 36 -3.244 -1.852 -4.476 232 HH TYR 36 HH TYR 36 -2.563 -3.424 -1.564 233 H LYS 37 H LYS 37 -4.004 4.124 -4.042 234 HA LYS 37 HA LYS 37 -1.294 3.186 -3.949 235 HB2 LYS 37 2HB LYS 37 -0.935 4.522 -5.987 236 HB3 LYS 37 1HB LYS 37 -2.364 3.506 -6.118 237 HG2 LYS 37 2HG LYS 37 -3.737 5.522 -5.430 238 HG3 LYS 37 1HG LYS 37 -2.274 6.489 -5.603 239 HD2 LYS 37 2HD LYS 37 -2.106 5.408 -7.956 240 HD3 LYS 37 1HD LYS 37 -3.802 4.987 -7.721 241 HE2 LYS 37 2HE LYS 37 -4.217 7.433 -7.183 242 HE3 LYS 37 1HE LYS 37 -2.572 7.752 -7.731 243 HZ1 LYS 37 3HZ LYS 37 -3.077 7.092 -9.887 244 HZ2 LYS 37 1HZ LYS 37 -4.442 7.981 -9.423 245 HZ3 LYS 37 2HZ LYS 37 -4.499 6.284 -9.430 246 H GLU 38 H GLU 38 -2.868 6.327 -3.415 247 HA GLU 38 HA GLU 38 -0.610 7.897 -3.006 248 HB2 GLU 38 2HB GLU 38 -3.338 8.058 -1.716 249 HB3 GLU 38 1HB GLU 38 -2.102 9.305 -1.554 250 HG2 GLU 38 2HG GLU 38 -2.814 8.354 -4.312 251 HG3 GLU 38 1HG GLU 38 -3.925 9.449 -3.485 252 H HIS 39 H HIS 39 -2.206 5.694 -0.677 253 HA HIS 39 HA HIS 39 -0.401 6.622 1.425 254 HB2 HIS 39 2HB HIS 39 -1.640 5.395 2.995 255 HB3 HIS 39 1HB HIS 39 -2.820 6.076 1.888 256 HD1 HIS 39 1HD HIS 39 -4.654 4.438 1.756 257 HD2 HIS 39 2HD HIS 39 -0.959 2.514 1.657 258 HE1 HIS 39 1HE HIS 39 -5.138 1.966 1.525 259 HE2 HIS 39 2HE HIS 39 -2.898 0.781 1.431 260 H LEU 40 H LEU 40 -0.671 3.807 -0.675 261 HA LEU 40 HA LEU 40 1.149 2.119 0.685 262 HB2 LEU 40 2HB LEU 40 -0.399 1.537 -1.285 263 HB3 LEU 40 1HB LEU 40 0.875 2.199 -2.318 264 HG LEU 40 HG LEU 40 2.475 0.639 -1.006 265 HD11 LEU 40 1HD1 LEU 40 1.081 -1.496 -0.355 266 HD12 LEU 40 2HD1 LEU 40 -0.237 -0.341 -0.156 267 HD13 LEU 40 3HD1 LEU 40 1.237 -0.173 0.801 268 HD21 LEU 40 3HD2 LEU 40 2.040 0.175 -3.305 269 HD22 LEU 40 1HD2 LEU 40 0.379 -0.312 -2.967 270 HD23 LEU 40 2HD2 LEU 40 1.719 -1.337 -2.456 271 H GLN 41 H GLN 41 1.666 4.852 -1.435 272 HA GLN 41 HA GLN 41 4.361 4.362 -2.154 273 HB2 GLN 41 2HB GLN 41 2.565 6.193 -2.935 274 HB3 GLN 41 1HB GLN 41 3.477 7.185 -1.799 275 HG2 GLN 41 2HG GLN 41 4.627 7.500 -3.832 276 HG3 GLN 41 1HG GLN 41 5.579 6.254 -3.018 277 HE21 GLN 41 1HE2 GLN 41 4.581 6.950 -6.018 278 HE22 GLN 41 2HE2 GLN 41 4.259 5.385 -6.617 279 H ARG 42 H ARG 42 2.936 5.999 0.643 280 HA ARG 42 HA ARG 42 5.471 6.855 1.724 281 HB2 ARG 42 2HB ARG 42 3.110 7.868 2.150 282 HB3 ARG 42 1HB ARG 42 2.953 6.580 3.342 283 HG2 ARG 42 2HG ARG 42 3.912 8.160 4.710 284 HG3 ARG 42 1HG ARG 42 5.396 7.481 4.044 285 HD2 ARG 42 2HD ARG 42 5.709 9.777 3.718 286 HD3 ARG 42 1HD ARG 42 5.074 9.257 2.159 287 HE ARG 42 HE ARG 42 2.974 10.058 3.938 288 HH11 ARG 42 1HH2 ARG 42 5.426 11.315 1.746 289 HH12 ARG 42 2HH2 ARG 42 4.587 12.808 1.501 290 HH21 ARG 42 1HH1 ARG 42 1.931 12.016 3.573 291 HH22 ARG 42 2HH1 ARG 42 2.632 13.201 2.520 292 H GLN 43 H GLN 43 3.410 4.027 1.999 293 HA GLN 43 HA GLN 43 4.638 2.973 4.371 294 HB2 GLN 43 2HB GLN 43 2.309 2.446 3.080 295 HB3 GLN 43 1HB GLN 43 3.294 1.125 2.464 296 HG2 GLN 43 2HG GLN 43 2.507 0.132 4.389 297 HG3 GLN 43 1HG GLN 43 3.961 0.891 5.035 298 HE21 GLN 43 1HE2 GLN 43 0.628 0.603 5.550 299 HE22 GLN 43 2HE2 GLN 43 0.406 1.973 6.526 300 H GLN 44 H GLN 44 5.075 2.529 0.883 301 HA GLN 44 HA GLN 44 6.982 0.399 1.137 302 HB2 GLN 44 2HB GLN 44 5.476 1.027 -0.891 303 HB3 GLN 44 1HB GLN 44 6.770 2.158 -1.287 304 HG2 GLN 44 2HG GLN 44 8.400 0.336 -1.306 305 HG3 GLN 44 1HG GLN 44 7.157 -0.813 -0.818 306 HE21 GLN 44 1HE2 GLN 44 5.897 -1.753 -2.464 307 HE22 GLN 44 2HE2 GLN 44 5.960 -1.273 -4.100 308 H ASN 45 H ASN 45 7.212 3.901 0.565 309 HA ASN 45 HA ASN 45 10.005 4.032 0.175 310 HB2 ASN 45 2HB ASN 45 8.240 5.843 -0.240 311 HB3 ASN 45 1HB ASN 45 8.386 6.215 1.478 312 HD21 ASN 45 1HD2 ASN 45 9.785 7.934 1.778 313 HD22 ASN 45 2HD2 ASN 45 11.214 8.202 0.885 314 H SER 46 H SER 46 8.062 3.937 3.112 315 HA SER 46 HA SER 46 10.302 4.529 4.857 316 HB2 SER 46 2HB SER 46 7.537 3.495 5.531 317 HB3 SER 46 1HB SER 46 8.709 4.153 6.669 318 HG SER 46 HG SER 46 7.548 5.898 6.183 319 H GLY 47 H GLY 47 8.084 1.722 4.667 320 HA2 GLY 47 2HA GLY 47 8.647 -0.549 4.492 321 HA3 GLY 47 1HA GLY 47 10.342 -0.127 4.704 322 H ARG 48 H ARG 48 10.571 1.097 7.026 323 HA ARG 48 HA ARG 48 9.117 -0.440 9.072 324 HB2 ARG 48 2HB ARG 48 12.103 -0.396 8.651 325 HB3 ARG 48 1HB ARG 48 11.409 -0.701 10.244 326 HG2 ARG 48 2HG ARG 48 10.082 -2.569 9.288 327 HG3 ARG 48 1HG ARG 48 10.840 -2.284 7.720 328 HD2 ARG 48 2HD ARG 48 12.156 -3.999 8.648 329 HD3 ARG 48 1HD ARG 48 13.082 -2.540 8.985 330 HE ARG 48 HE ARG 48 12.658 -2.835 11.252 331 HH11 ARG 48 1HH2 ARG 48 10.565 -4.990 9.412 332 HH12 ARG 48 2HH2 ARG 48 10.031 -5.834 10.822 333 HH21 ARG 48 1HH1 ARG 48 11.936 -3.987 13.034 334 HH22 ARG 48 2HH1 ARG 48 10.797 -5.278 12.846 335 H MET 49 H MET 49 11.930 1.767 8.989 336 HA MET 49 HA MET 49 10.617 3.453 11.016 337 HB2 MET 49 2HB MET 49 13.476 3.202 10.077 338 HB3 MET 49 1HB MET 49 12.933 4.486 11.157 339 HG2 MET 49 2HG MET 49 12.007 2.683 12.675 340 HG3 MET 49 1HG MET 49 12.832 1.502 11.658 341 HE1 MET 49 3HE MET 49 13.071 3.239 14.869 342 HE2 MET 49 1HE MET 49 14.593 2.426 15.261 343 HE3 MET 49 2HE MET 49 13.258 1.514 14.561 344 H SER 50 H SER 50 10.316 5.667 10.714 345 HA SER 50 HA SER 50 10.409 6.567 7.900 346 HB2 SER 50 2HB SER 50 8.683 8.176 8.535 347 HB3 SER 50 1HB SER 50 8.181 6.548 8.984 348 HG SER 50 HG SER 50 9.143 8.647 10.611 349 HA PRO 51 HA PRO 51 13.699 9.416 8.838 350 HB2 PRO 51 2HB PRO 51 12.266 11.416 7.155 351 HB3 PRO 51 1HB PRO 51 13.922 10.795 7.012 352 HG2 PRO 51 2HG PRO 51 12.013 10.040 5.328 353 HG3 PRO 51 1HG PRO 51 13.262 8.911 5.881 354 HD2 PRO 51 2HD PRO 51 10.392 9.105 6.725 355 HD3 PRO 51 1HD PRO 51 11.413 7.666 6.517 356 H MET 52 H MET 52 10.713 11.368 8.488 357 HA MET 52 HA MET 52 11.376 12.755 11.008 358 HB2 MET 52 2HB MET 52 10.952 14.039 8.841 359 HB3 MET 52 1HB MET 52 9.265 13.554 9.003 360 HG2 MET 52 2HG MET 52 9.283 14.546 11.321 361 HG3 MET 52 1HG MET 52 10.890 15.185 10.970 362 HE1 MET 52 3HE MET 52 8.885 18.385 10.806 363 HE2 MET 52 1HE MET 52 10.578 17.872 10.842 364 HE3 MET 52 2HE MET 52 9.404 17.123 11.920 365 H GLY 53 H GLY 53 8.454 11.595 9.294 366 HA2 GLY 53 2HA GLY 53 7.255 9.836 10.803 367 HA3 GLY 53 1HA GLY 53 7.108 11.221 11.884 368 H THR 54 H THR 54 6.439 13.298 10.403 369 HA THR 54 HA THR 54 4.281 12.561 8.563 370 HB THR 54 HB THR 54 3.114 12.626 10.680 371 HG1 THR 54 1HG THR 54 1.648 13.688 9.661 372 HG21 THR 54 3HG2 THR 54 4.699 13.876 12.033 373 HG22 THR 54 1HG2 THR 54 3.148 14.716 12.065 374 HG23 THR 54 2HG2 THR 54 4.457 15.320 11.049 375 H ALA 55 H ALA 55 3.628 14.256 7.175 376 HA ALA 55 HA ALA 55 5.151 16.771 7.313 377 HB1 ALA 55 1HB ALA 55 5.688 16.568 4.888 378 HB2 ALA 55 2HB ALA 55 5.065 14.919 4.921 379 HB3 ALA 55 3HB ALA 55 6.489 15.342 5.872 380 H SER 56 H SER 56 3.737 18.386 7.167 381 HA SER 56 HA SER 56 1.582 18.269 5.192 382 HB2 SER 56 2HB SER 56 0.679 17.367 7.371 383 HB3 SER 56 1HB SER 56 1.003 18.947 8.081 384 HG SER 56 HG SER 56 -1.157 18.332 6.938 385 H GLY 57 H GLY 57 2.202 20.009 4.024 386 HA2 GLY 57 2HA GLY 57 2.467 22.229 3.473 387 HA3 GLY 57 1HA GLY 57 1.835 22.633 5.066 388 H SER 58 H SER 58 4.709 20.705 4.271 389 HA SER 58 HA SER 58 6.333 22.529 5.914 390 HB2 SER 58 2HB SER 58 7.182 19.855 4.814 391 HB3 SER 58 1HB SER 58 7.861 20.739 6.177 392 HG SER 58 HG SER 58 6.068 18.905 6.317 393 H ASN 59 H ASN 59 6.817 20.608 2.930 394 HA ASN 59 HA ASN 59 8.694 22.652 1.963 395 HB2 ASN 59 2HB ASN 59 9.243 20.962 0.210 396 HB3 ASN 59 1HB ASN 59 9.534 20.389 1.849 397 HD21 ASN 59 1HD2 ASN 59 8.165 19.461 -1.072 398 HD22 ASN 59 2HD2 ASN 59 7.092 18.279 -0.496 399 H SER 60 H SER 60 8.117 24.118 0.500 400 HA SER 60 HA SER 60 6.148 23.507 -1.548 401 HB2 SER 60 2HB SER 60 4.913 24.353 0.550 402 HB3 SER 60 1HB SER 60 5.642 25.916 0.189 403 HG SER 60 HG SER 60 3.549 25.569 -0.780 404 HA PRO 61 HA PRO 61 9.381 26.439 -3.003 405 HB2 PRO 61 2HB PRO 61 9.972 25.226 -5.342 406 HB3 PRO 61 1HB PRO 61 10.616 24.639 -3.796 407 HG2 PRO 61 2HG PRO 61 8.390 23.571 -5.448 408 HG3 PRO 61 1HG PRO 61 9.604 22.708 -4.488 409 HD2 PRO 61 2HD PRO 61 6.981 23.219 -3.669 410 HD3 PRO 61 1HD PRO 61 8.324 22.795 -2.590 411 H THR 62 H THR 62 9.338 28.019 -4.705 412 HA THR 62 HA THR 62 7.148 27.981 -6.622 413 HB THR 62 HB THR 62 7.336 30.307 -4.712 414 HG1 THR 62 1HG THR 62 6.112 29.262 -3.370 415 HG21 THR 62 3HG2 THR 62 5.168 29.336 -6.593 416 HG22 THR 62 1HG2 THR 62 6.275 30.670 -6.921 417 HG23 THR 62 2HG2 THR 62 5.106 30.797 -5.606 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -41.368 -3.337 8.544 2 H2 GLY 1 2HT GLY 1 -40.124 -3.621 9.667 3 H3 GLY 1 3HT GLY 1 -39.838 -2.640 8.309 4 HA2 GLY 1 2HA GLY 1 -41.241 -0.930 9.117 5 HA3 GLY 1 1HA GLY 1 -41.817 -1.975 10.416 6 H SER 2 H SER 2 -41.100 -0.316 11.912 7 HA SER 2 HA SER 2 -38.216 0.109 12.149 8 HB2 SER 2 2HB SER 2 -38.877 1.658 13.988 9 HB3 SER 2 1HB SER 2 -39.632 2.056 12.447 10 HG SER 2 HG SER 2 -40.769 0.623 14.622 11 H MET 3 H MET 3 -36.942 -0.782 13.694 12 HA MET 3 HA MET 3 -38.176 -2.264 15.911 13 HB2 MET 3 2HB MET 3 -36.338 -3.439 13.825 14 HB3 MET 3 1HB MET 3 -36.526 -4.154 15.426 15 HG2 MET 3 2HG MET 3 -38.985 -4.290 15.045 16 HG3 MET 3 1HG MET 3 -38.742 -3.668 13.412 17 HE1 MET 3 3HE MET 3 -40.108 -5.790 12.672 18 HE2 MET 3 1HE MET 3 -40.150 -6.443 14.316 19 HE3 MET 3 2HE MET 3 -39.622 -7.456 12.974 20 H ALA 4 H ALA 4 -37.212 -1.660 17.735 21 HA ALA 4 HA ALA 4 -34.575 -0.391 17.630 22 HB1 ALA 4 1HB ALA 4 -35.052 0.405 19.849 23 HB2 ALA 4 2HB ALA 4 -36.424 -0.694 20.004 24 HB3 ALA 4 3HB ALA 4 -36.497 0.656 18.870 25 H GLN 5 H GLN 5 -36.186 -3.231 18.979 26 HA GLN 5 HA GLN 5 -33.866 -4.070 20.494 27 HB2 GLN 5 2HB GLN 5 -36.399 -4.562 20.950 28 HB3 GLN 5 1HB GLN 5 -36.158 -5.881 19.805 29 HG2 GLN 5 2HG GLN 5 -34.230 -5.480 22.081 30 HG3 GLN 5 1HG GLN 5 -35.749 -6.334 22.344 31 HE21 GLN 5 1HE2 GLN 5 -32.807 -7.301 22.196 32 HE22 GLN 5 2HE2 GLN 5 -32.871 -8.592 21.085 33 H GLU 6 H GLU 6 -35.426 -4.918 17.432 34 HA GLU 6 HA GLU 6 -33.733 -7.139 16.823 35 HB2 GLU 6 2HB GLU 6 -36.050 -6.446 15.815 36 HB3 GLU 6 1HB GLU 6 -35.076 -5.476 14.712 37 HG2 GLU 6 2HG GLU 6 -35.406 -7.602 13.652 38 HG3 GLU 6 1HG GLU 6 -33.737 -7.572 14.214 39 H THR 7 H THR 7 -32.035 -7.241 15.263 40 HA THR 7 HA THR 7 -30.165 -5.101 15.410 41 HB THR 7 HB THR 7 -30.058 -7.317 13.371 42 HG1 THR 7 1HG THR 7 -30.337 -8.525 15.097 43 HG21 THR 7 3HG2 THR 7 -28.256 -5.801 13.135 44 HG22 THR 7 1HG2 THR 7 -27.595 -7.125 14.095 45 HG23 THR 7 2HG2 THR 7 -28.072 -5.620 14.879 46 H ASN 8 H ASN 8 -30.783 -3.194 14.503 47 HA ASN 8 HA ASN 8 -31.918 -3.171 11.802 48 HB2 ASN 8 2HB ASN 8 -32.808 -1.765 13.753 49 HB3 ASN 8 1HB ASN 8 -31.371 -0.767 13.536 50 HD21 ASN 8 1HD2 ASN 8 -31.065 0.145 11.251 51 HD22 ASN 8 2HD2 ASN 8 -32.468 0.523 10.356 52 H GLN 9 H GLN 9 -29.062 -2.075 13.586 53 HA GLN 9 HA GLN 9 -27.859 -0.802 11.288 54 HB2 GLN 9 2HB GLN 9 -26.872 -1.483 14.058 55 HB3 GLN 9 1HB GLN 9 -25.827 -0.760 12.834 56 HG2 GLN 9 2HG GLN 9 -26.655 1.109 13.987 57 HG3 GLN 9 1HG GLN 9 -27.720 1.005 12.586 58 HE21 GLN 9 1HE2 GLN 9 -29.736 1.663 13.396 59 HE22 GLN 9 2HE2 GLN 9 -30.483 0.982 14.772 60 H THR 10 H THR 10 -26.424 -1.657 9.860 61 HA THR 10 HA THR 10 -25.112 -4.197 10.423 62 HB THR 10 HB THR 10 -27.222 -4.966 9.509 63 HG1 THR 10 1HG THR 10 -25.238 -5.068 7.486 64 HG21 THR 10 3HG2 THR 10 -28.366 -3.896 7.887 65 HG22 THR 10 1HG2 THR 10 -26.965 -3.893 6.815 66 HG23 THR 10 2HG2 THR 10 -27.173 -2.602 7.999 67 HA PRO 11 HA PRO 11 -22.343 -1.249 8.179 68 HB2 PRO 11 2HB PRO 11 -20.277 -3.120 9.217 69 HB3 PRO 11 1HB PRO 11 -20.367 -1.354 9.338 70 HG2 PRO 11 2HG PRO 11 -20.827 -2.943 11.434 71 HG3 PRO 11 1HG PRO 11 -21.689 -1.412 11.204 72 HD2 PRO 11 2HD PRO 11 -22.660 -4.210 10.759 73 HD3 PRO 11 1HD PRO 11 -23.545 -2.789 11.354 74 H GLY 12 H GLY 12 -22.821 -1.796 6.064 75 HA2 GLY 12 2HA GLY 12 -21.615 -4.282 4.981 76 HA3 GLY 12 1HA GLY 12 -23.063 -3.520 4.328 77 HA PRO 13 HA PRO 13 -20.772 -0.995 1.520 78 HB2 PRO 13 2HB PRO 13 -21.383 1.608 2.791 79 HB3 PRO 13 1HB PRO 13 -21.828 1.002 1.183 80 HG2 PRO 13 2HG PRO 13 -23.604 1.278 3.187 81 HG3 PRO 13 1HG PRO 13 -23.746 0.024 1.939 82 HD2 PRO 13 2HD PRO 13 -22.855 -0.229 4.781 83 HD3 PRO 13 1HD PRO 13 -23.753 -1.386 3.768 84 H MET 14 H MET 14 -18.626 -1.507 1.907 85 HA MET 14 HA MET 14 -17.115 -0.437 4.093 86 HB2 MET 14 2HB MET 14 -16.584 -2.169 1.730 87 HB3 MET 14 1HB MET 14 -15.196 -1.306 2.390 88 HG2 MET 14 2HG MET 14 -17.059 -2.814 4.217 89 HG3 MET 14 1HG MET 14 -15.784 -3.666 3.349 90 HE1 MET 14 3HE MET 14 -16.734 -2.944 6.269 91 HE2 MET 14 1HE MET 14 -16.423 -1.225 6.552 92 HE3 MET 14 2HE MET 14 -15.392 -2.445 7.297 93 H LEU 15 H LEU 15 -17.523 1.830 3.876 94 HA LEU 15 HA LEU 15 -16.688 3.272 1.537 95 HB2 LEU 15 2HB LEU 15 -17.927 3.883 4.135 96 HB3 LEU 15 1HB LEU 15 -16.811 5.135 3.596 97 HG LEU 15 HG LEU 15 -17.999 5.201 1.398 98 HD11 LEU 15 1HD1 LEU 15 -20.088 3.472 2.744 99 HD12 LEU 15 2HD1 LEU 15 -18.895 2.826 1.617 100 HD13 LEU 15 3HD1 LEU 15 -20.065 4.028 1.070 101 HD21 LEU 15 3HD2 LEU 15 -19.895 6.439 2.192 102 HD22 LEU 15 1HD2 LEU 15 -18.610 6.670 3.379 103 HD23 LEU 15 2HD2 LEU 15 -19.924 5.537 3.706 104 H CYS 16 H CYS 16 -14.871 4.563 1.256 105 HA CYS 16 HA CYS 16 -12.397 3.606 1.959 106 HB2 CYS 16 2HB CYS 16 -13.026 5.441 0.266 107 HB3 CYS 16 1HB CYS 16 -12.840 6.563 1.618 108 H SER 17 H SER 17 -11.075 3.638 3.663 109 HA SER 17 HA SER 17 -11.928 4.498 6.212 110 HB2 SER 17 2HB SER 17 -9.666 3.103 5.116 111 HB3 SER 17 1HB SER 17 -9.097 4.296 6.283 112 HG SER 17 HG SER 17 -9.687 2.297 7.257 113 H THR 18 H THR 18 -10.019 6.119 3.727 114 HA THR 18 HA THR 18 -9.135 8.274 5.408 115 HB THR 18 HB THR 18 -8.526 9.397 3.302 116 HG1 THR 18 1HG THR 18 -9.745 8.916 1.685 117 HG21 THR 18 3HG2 THR 18 -6.895 7.763 2.533 118 HG22 THR 18 1HG2 THR 18 -7.822 6.451 3.262 119 HG23 THR 18 2HG2 THR 18 -7.040 7.656 4.287 120 H GLY 19 H GLY 19 -12.195 7.514 4.013 121 HA2 GLY 19 2HA GLY 19 -14.196 8.624 4.156 122 HA3 GLY 19 1HA GLY 19 -13.364 9.922 5.014 123 H CYS 20 H CYS 20 -12.727 8.643 1.737 124 HA CYS 20 HA CYS 20 -12.733 11.346 0.700 125 HB2 CYS 20 2HB CYS 20 -12.056 10.344 -1.436 126 HB3 CYS 20 1HB CYS 20 -11.053 9.758 -0.111 127 H GLY 21 H GLY 21 -15.137 8.902 1.050 128 HA2 GLY 21 2HA GLY 21 -17.436 9.321 0.674 129 HA3 GLY 21 1HA GLY 21 -17.000 10.533 -0.525 130 H PHE 22 H PHE 22 -15.136 7.831 -1.153 131 HA PHE 22 HA PHE 22 -16.966 6.932 -3.261 132 HB2 PHE 22 2HB PHE 22 -13.958 6.825 -2.945 133 HB3 PHE 22 1HB PHE 22 -14.805 5.941 -4.210 134 HD1 PHE 22 2HD PHE 22 -14.499 9.382 -2.755 135 HD2 PHE 22 1HD PHE 22 -15.308 6.995 -6.236 136 HE1 PHE 22 2HE PHE 22 -14.585 11.437 -4.144 137 HE2 PHE 22 1HE PHE 22 -15.388 9.047 -7.626 138 HZ PHE 22 HZ PHE 22 -15.025 11.266 -6.579 139 H TYR 23 H TYR 23 -15.900 4.442 -3.795 140 HA TYR 23 HA TYR 23 -16.741 2.924 -1.414 141 HB2 TYR 23 2HB TYR 23 -17.743 2.677 -3.835 142 HB3 TYR 23 1HB TYR 23 -16.316 1.674 -4.107 143 HD1 TYR 23 2HD TYR 23 -18.812 2.178 -1.333 144 HD2 TYR 23 1HD TYR 23 -16.664 -0.597 -3.808 145 HE1 TYR 23 2HE TYR 23 -19.914 0.294 -0.168 146 HE2 TYR 23 1HE TYR 23 -17.771 -2.488 -2.646 147 HH TYR 23 HH TYR 23 -19.000 -2.489 0.086 148 H GLY 24 H GLY 24 -15.454 1.359 -0.460 149 HA2 GLY 24 2HA GLY 24 -12.620 1.339 -1.330 150 HA3 GLY 24 1HA GLY 24 -13.176 1.055 0.321 151 H ASN 25 H ASN 25 -11.421 -0.709 -0.909 152 HA ASN 25 HA ASN 25 -13.100 -3.088 -1.479 153 HB2 ASN 25 2HB ASN 25 -11.484 -2.128 -3.276 154 HB3 ASN 25 1HB ASN 25 -10.220 -2.826 -2.276 155 HD21 ASN 25 1HD2 ASN 25 -11.740 -3.560 -5.000 156 HD22 ASN 25 2HD2 ASN 25 -11.918 -5.250 -4.832 157 HA PRO 26 HA PRO 26 -11.157 -4.453 2.384 158 HB2 PRO 26 2HB PRO 26 -12.368 -7.080 1.969 159 HB3 PRO 26 1HB PRO 26 -12.668 -5.876 3.233 160 HG2 PRO 26 2HG PRO 26 -14.439 -6.486 1.257 161 HG3 PRO 26 1HG PRO 26 -14.393 -4.932 2.108 162 HD2 PRO 26 2HD PRO 26 -13.398 -5.612 -0.632 163 HD3 PRO 26 1HD PRO 26 -14.098 -4.094 -0.028 164 H ARG 27 H ARG 27 -10.722 -5.864 -0.768 165 HA ARG 27 HA ARG 27 -8.741 -7.811 0.028 166 HB2 ARG 27 2HB ARG 27 -9.794 -6.743 -2.575 167 HB3 ARG 27 1HB ARG 27 -8.243 -7.584 -2.561 168 HG2 ARG 27 2HG ARG 27 -9.855 -9.276 -2.984 169 HG3 ARG 27 1HG ARG 27 -9.438 -9.454 -1.280 170 HD2 ARG 27 2HD ARG 27 -11.466 -8.574 -0.552 171 HD3 ARG 27 1HD ARG 27 -11.722 -7.664 -2.037 172 HE ARG 27 HE ARG 27 -11.752 -10.475 -2.547 173 HH11 ARG 27 1HH2 ARG 27 -13.718 -7.918 -1.144 174 HH12 ARG 27 2HH2 ARG 27 -15.207 -8.677 -1.588 175 HH21 ARG 27 1HH1 ARG 27 -13.719 -11.417 -3.090 176 HH22 ARG 27 2HH1 ARG 27 -15.211 -10.632 -2.687 177 H THR 28 H THR 28 -8.857 -4.476 -1.105 178 HA THR 28 HA THR 28 -6.003 -4.186 -1.416 179 HB THR 28 HB THR 28 -6.473 -1.803 -1.679 180 HG1 THR 28 1HG THR 28 -9.031 -2.503 -0.680 181 HG21 THR 28 3HG2 THR 28 -6.978 -2.721 -3.721 182 HG22 THR 28 1HG2 THR 28 -8.569 -2.082 -3.311 183 HG23 THR 28 2HG2 THR 28 -8.216 -3.789 -3.061 184 H ASN 29 H ASN 29 -5.710 -1.702 0.155 185 HA ASN 29 HA ASN 29 -5.297 -2.954 2.768 186 HB2 ASN 29 2HB ASN 29 -4.344 -0.307 1.661 187 HB3 ASN 29 1HB ASN 29 -3.958 -0.925 3.266 188 HD21 ASN 29 1HD2 ASN 29 -1.649 -0.794 2.398 189 HD22 ASN 29 2HD2 ASN 29 -1.062 -2.121 1.497 190 H GLY 30 H GLY 30 -8.052 -2.096 1.861 191 HA2 GLY 30 2HA GLY 30 -9.857 -1.465 3.193 192 HA3 GLY 30 1HA GLY 30 -8.744 -0.652 4.288 193 H MET 31 H MET 31 -8.059 0.205 1.057 194 HA MET 31 HA MET 31 -9.740 2.629 1.269 195 HB2 MET 31 2HB MET 31 -6.820 2.341 0.597 196 HB3 MET 31 1HB MET 31 -7.749 3.753 0.087 197 HG2 MET 31 2HG MET 31 -6.916 4.439 2.158 198 HG3 MET 31 1HG MET 31 -8.511 3.837 2.594 199 HE1 MET 31 3HE MET 31 -5.556 4.412 3.630 200 HE2 MET 31 1HE MET 31 -4.666 3.024 4.268 201 HE3 MET 31 2HE MET 31 -6.013 3.703 5.176 202 H CYS 32 H CYS 32 -9.984 3.774 -0.825 203 HA CYS 32 HA CYS 32 -10.943 1.966 -2.813 204 HB2 CYS 32 2HB CYS 32 -11.781 3.957 -3.932 205 HB3 CYS 32 1HB CYS 32 -12.080 4.092 -2.208 206 H SER 33 H SER 33 -10.272 3.558 -5.197 207 HA SER 33 HA SER 33 -7.800 2.249 -5.835 208 HB2 SER 33 2HB SER 33 -8.304 3.853 -7.992 209 HB3 SER 33 1HB SER 33 -8.980 2.252 -7.742 210 HG SER 33 HG SER 33 -10.226 4.636 -7.803 211 H VAL 34 H VAL 34 -8.763 5.708 -5.699 212 HA VAL 34 HA VAL 34 -6.178 6.706 -6.283 213 HB VAL 34 HB VAL 34 -8.240 8.241 -4.702 214 HG11 VAL 34 1HG1 VAL 34 -6.008 8.889 -6.619 215 HG12 VAL 34 2HG1 VAL 34 -6.264 9.491 -4.981 216 HG13 VAL 34 3HG1 VAL 34 -7.300 10.046 -6.297 217 HG21 VAL 34 3HG2 VAL 34 -8.284 7.479 -7.626 218 HG22 VAL 34 1HG2 VAL 34 -9.022 8.981 -7.069 219 HG23 VAL 34 2HG2 VAL 34 -9.604 7.434 -6.457 220 H CYS 35 H CYS 35 -7.918 6.672 -3.152 221 HA CYS 35 HA CYS 35 -5.868 7.719 -1.573 222 HB2 CYS 35 2HB CYS 35 -8.047 5.775 -0.784 223 HB3 CYS 35 1HB CYS 35 -7.080 6.730 0.337 224 H TYR 36 H TYR 36 -6.521 4.349 -2.462 225 HA TYR 36 HA TYR 36 -4.807 3.064 -0.672 226 HB2 TYR 36 2HB TYR 36 -6.404 1.820 -1.959 227 HB3 TYR 36 1HB TYR 36 -5.650 2.305 -3.473 228 HD1 TYR 36 1HD TYR 36 -3.692 1.256 -0.471 229 HD2 TYR 36 2HD TYR 36 -5.288 0.079 -4.282 230 HE1 TYR 36 1HE TYR 36 -2.290 -0.787 -0.428 231 HE2 TYR 36 2HE TYR 36 -3.899 -1.968 -4.232 232 HH TYR 36 HH TYR 36 -2.780 -3.401 -2.567 233 H LYS 37 H LYS 37 -4.090 4.505 -3.802 234 HA LYS 37 HA LYS 37 -1.353 3.615 -3.855 235 HB2 LYS 37 2HB LYS 37 -2.814 4.208 -5.865 236 HB3 LYS 37 1HB LYS 37 -2.525 5.897 -5.445 237 HG2 LYS 37 2HG LYS 37 0.006 5.120 -5.391 238 HG3 LYS 37 1HG LYS 37 -0.590 3.825 -6.431 239 HD2 LYS 37 2HD LYS 37 -0.110 5.405 -8.051 240 HD3 LYS 37 1HD LYS 37 -1.771 5.870 -7.688 241 HE2 LYS 37 2HE LYS 37 -0.709 7.405 -5.875 242 HE3 LYS 37 1HE LYS 37 0.788 7.169 -6.773 243 HZ1 LYS 37 3HZ LYS 37 -1.716 8.452 -7.661 244 HZ2 LYS 37 1HZ LYS 37 -0.624 7.821 -8.797 245 HZ3 LYS 37 2HZ LYS 37 -0.126 9.048 -7.733 246 H GLU 38 H GLU 38 -3.020 6.669 -3.155 247 HA GLU 38 HA GLU 38 -0.840 8.329 -2.728 248 HB2 GLU 38 2HB GLU 38 -3.629 8.302 -1.621 249 HB3 GLU 38 1HB GLU 38 -2.469 9.514 -1.082 250 HG2 GLU 38 2HG GLU 38 -2.816 9.013 -4.028 251 HG3 GLU 38 1HG GLU 38 -3.994 10.010 -3.171 252 H HIS 39 H HIS 39 -2.339 6.075 -0.395 253 HA HIS 39 HA HIS 39 -0.515 7.030 1.681 254 HB2 HIS 39 2HB HIS 39 -1.702 5.771 3.256 255 HB3 HIS 39 1HB HIS 39 -2.930 6.359 2.148 256 HD1 HIS 39 1HD HIS 39 -4.589 4.612 1.581 257 HD2 HIS 39 2HD HIS 39 -0.857 2.929 2.349 258 HE1 HIS 39 1HE HIS 39 -4.876 2.104 1.402 259 HE2 HIS 39 2HE HIS 39 -2.617 1.064 1.888 260 H LEU 40 H LEU 40 -0.767 4.312 -0.499 261 HA LEU 40 HA LEU 40 1.103 2.576 0.705 262 HB2 LEU 40 2HB LEU 40 -0.461 2.021 -1.196 263 HB3 LEU 40 1HB LEU 40 0.627 2.913 -2.263 264 HG LEU 40 HG LEU 40 2.491 1.404 -1.499 265 HD11 LEU 40 1HD1 LEU 40 1.645 -0.810 -0.510 266 HD12 LEU 40 2HD1 LEU 40 0.169 0.066 -0.103 267 HD13 LEU 40 3HD1 LEU 40 1.713 0.570 0.586 268 HD21 LEU 40 3HD2 LEU 40 0.991 1.071 -3.576 269 HD22 LEU 40 1HD2 LEU 40 0.200 -0.201 -2.646 270 HD23 LEU 40 2HD2 LEU 40 1.920 -0.322 -3.025 271 H GLN 41 H GLN 41 1.545 5.436 -1.288 272 HA GLN 41 HA GLN 41 4.186 5.076 -2.163 273 HB2 GLN 41 2HB GLN 41 2.519 6.968 -2.718 274 HB3 GLN 41 1HB GLN 41 3.164 7.762 -1.281 275 HG2 GLN 41 2HG GLN 41 5.494 7.258 -2.317 276 HG3 GLN 41 1HG GLN 41 4.603 7.015 -3.823 277 HE21 GLN 41 1HE2 GLN 41 4.223 8.877 -5.029 278 HE22 GLN 41 2HE2 GLN 41 4.291 10.466 -4.410 279 H ARG 42 H ARG 42 2.965 6.245 0.936 280 HA ARG 42 HA ARG 42 5.577 6.901 1.968 281 HB2 ARG 42 2HB ARG 42 2.842 6.717 3.232 282 HB3 ARG 42 1HB ARG 42 4.292 7.136 4.143 283 HG2 ARG 42 2HG ARG 42 3.522 8.614 1.623 284 HG3 ARG 42 1HG ARG 42 2.898 9.089 3.202 285 HD2 ARG 42 2HD ARG 42 5.854 8.773 2.633 286 HD3 ARG 42 1HD ARG 42 5.007 10.302 2.456 287 HE ARG 42 HE ARG 42 5.670 8.949 4.947 288 HH11 ARG 42 1HH2 ARG 42 3.734 11.475 3.429 289 HH12 ARG 42 2HH2 ARG 42 3.535 12.341 4.908 290 HH21 ARG 42 1HH1 ARG 42 5.365 10.126 6.825 291 HH22 ARG 42 2HH1 ARG 42 4.441 11.591 6.805 292 H GLN 43 H GLN 43 3.504 4.077 1.981 293 HA GLN 43 HA GLN 43 4.930 2.764 4.133 294 HB2 GLN 43 2HB GLN 43 2.687 1.997 2.293 295 HB3 GLN 43 1HB GLN 43 3.533 0.750 3.207 296 HG2 GLN 43 2HG GLN 43 3.145 2.407 5.230 297 HG3 GLN 43 1HG GLN 43 1.845 3.021 4.212 298 HE21 GLN 43 1HE2 GLN 43 -0.029 2.111 5.113 299 HE22 GLN 43 2HE2 GLN 43 -0.234 0.454 5.426 300 H GLN 44 H GLN 44 5.008 2.762 0.606 301 HA GLN 44 HA GLN 44 6.671 0.433 0.397 302 HB2 GLN 44 2HB GLN 44 6.888 1.024 -1.966 303 HB3 GLN 44 1HB GLN 44 5.207 1.128 -1.455 304 HG2 GLN 44 2HG GLN 44 5.426 3.578 -1.215 305 HG3 GLN 44 1HG GLN 44 7.114 3.475 -1.704 306 HE21 GLN 44 1HE2 GLN 44 7.511 3.672 -3.907 307 HE22 GLN 44 2HE2 GLN 44 6.332 3.494 -5.127 308 H ASN 45 H ASN 45 7.282 3.824 0.919 309 HA ASN 45 HA ASN 45 9.943 3.988 -0.006 310 HB2 ASN 45 2HB ASN 45 8.224 5.808 0.912 311 HB3 ASN 45 1HB ASN 45 9.110 5.543 2.411 312 HD21 ASN 45 1HD2 ASN 45 11.625 5.643 2.108 313 HD22 ASN 45 2HD2 ASN 45 12.200 6.847 1.047 314 H SER 46 H SER 46 8.585 2.975 3.103 315 HA SER 46 HA SER 46 11.275 2.410 4.149 316 HB2 SER 46 2HB SER 46 10.091 1.993 6.284 317 HB3 SER 46 1HB SER 46 9.742 3.598 5.647 318 HG SER 46 HG SER 46 7.749 2.935 5.895 319 H GLY 47 H GLY 47 8.155 0.826 3.491 320 HA2 GLY 47 2HA GLY 47 7.642 -1.360 2.979 321 HA3 GLY 47 1HA GLY 47 9.363 -1.631 2.704 322 H ARG 48 H ARG 48 7.687 -0.562 5.648 323 HA ARG 48 HA ARG 48 9.174 -2.394 7.282 324 HB2 ARG 48 2HB ARG 48 6.980 -0.406 7.807 325 HB3 ARG 48 1HB ARG 48 7.537 -1.507 9.069 326 HG2 ARG 48 2HG ARG 48 9.534 0.088 7.485 327 HG3 ARG 48 1HG ARG 48 8.683 0.836 8.836 328 HD2 ARG 48 2HD ARG 48 9.399 -1.155 10.240 329 HD3 ARG 48 1HD ARG 48 10.444 -1.624 8.903 330 HE ARG 48 HE ARG 48 10.981 1.067 9.530 331 HH11 ARG 48 1HH2 ARG 48 11.350 -2.110 10.999 332 HH12 ARG 48 2HH2 ARG 48 12.735 -1.632 11.917 333 HH21 ARG 48 1HH1 ARG 48 12.776 1.619 10.745 334 HH22 ARG 48 2HH1 ARG 48 13.534 0.452 11.776 335 H MET 49 H MET 49 8.521 -4.229 8.313 336 HA MET 49 HA MET 49 5.845 -5.301 7.624 337 HB2 MET 49 2HB MET 49 6.906 -7.563 7.644 338 HB3 MET 49 1HB MET 49 7.498 -6.529 6.348 339 HG2 MET 49 2HG MET 49 8.984 -6.467 8.948 340 HG3 MET 49 1HG MET 49 9.165 -7.907 7.947 341 HE1 MET 49 3HE MET 49 12.440 -6.250 7.223 342 HE2 MET 49 1HE MET 49 11.491 -7.242 8.339 343 HE3 MET 49 2HE MET 49 11.665 -5.511 8.621 344 H SER 50 H SER 50 6.577 -3.755 9.975 345 HA SER 50 HA SER 50 5.584 -5.553 11.997 346 HB2 SER 50 2HB SER 50 8.054 -6.008 11.984 347 HB3 SER 50 1HB SER 50 8.312 -4.323 12.425 348 HG SER 50 HG SER 50 8.136 -5.980 14.172 349 HA PRO 51 HA PRO 51 4.164 -1.527 13.336 350 HB2 PRO 51 2HB PRO 51 2.896 -2.200 15.627 351 HB3 PRO 51 1HB PRO 51 2.278 -2.684 14.036 352 HG2 PRO 51 2HG PRO 51 3.734 -4.285 16.066 353 HG3 PRO 51 1HG PRO 51 2.434 -4.766 14.967 354 HD2 PRO 51 2HD PRO 51 5.155 -5.275 14.566 355 HD3 PRO 51 1HD PRO 51 3.903 -5.342 13.311 356 H MET 52 H MET 52 6.084 -0.395 13.793 357 HA MET 52 HA MET 52 7.264 -0.734 16.477 358 HB2 MET 52 2HB MET 52 8.286 0.465 13.908 359 HB3 MET 52 1HB MET 52 9.073 0.778 15.457 360 HG2 MET 52 2HG MET 52 8.463 -2.028 14.519 361 HG3 MET 52 1HG MET 52 9.966 -1.211 14.093 362 HE1 MET 52 3HE MET 52 9.449 -3.863 17.358 363 HE2 MET 52 1HE MET 52 8.632 -3.643 15.804 364 HE3 MET 52 2HE MET 52 7.970 -2.911 17.263 365 H GLY 53 H GLY 53 6.252 1.845 14.216 366 HA2 GLY 53 2HA GLY 53 5.191 3.856 14.632 367 HA3 GLY 53 1HA GLY 53 4.982 3.349 16.304 368 H THR 54 H THR 54 8.064 3.563 14.583 369 HA THR 54 HA THR 54 9.020 5.465 16.608 370 HB THR 54 HB THR 54 10.683 4.121 14.481 371 HG1 THR 54 1HG THR 54 10.457 2.326 15.514 372 HG21 THR 54 3HG2 THR 54 11.678 5.992 15.764 373 HG22 THR 54 1HG2 THR 54 12.467 4.458 16.134 374 HG23 THR 54 2HG2 THR 54 11.304 5.146 17.267 375 H ALA 55 H ALA 55 8.982 7.569 16.150 376 HA ALA 55 HA ALA 55 8.766 8.469 13.380 377 HB1 ALA 55 1HB ALA 55 8.463 9.805 16.061 378 HB2 ALA 55 2HB ALA 55 7.256 9.596 14.792 379 HB3 ALA 55 3HB ALA 55 8.574 10.748 14.575 380 H SER 56 H SER 56 10.704 8.455 12.356 381 HA SER 56 HA SER 56 12.805 10.193 13.437 382 HB2 SER 56 2HB SER 56 13.383 7.892 14.160 383 HB3 SER 56 1HB SER 56 13.342 7.371 12.479 384 HG SER 56 HG SER 56 15.450 8.016 13.404 385 H GLY 57 H GLY 57 12.704 11.700 11.844 386 HA2 GLY 57 2HA GLY 57 13.233 12.632 9.797 387 HA3 GLY 57 1HA GLY 57 13.764 11.043 9.257 388 H SER 58 H SER 58 10.578 12.070 10.471 389 HA SER 58 HA SER 58 9.284 10.822 8.182 390 HB2 SER 58 2HB SER 58 7.192 11.431 9.382 391 HB3 SER 58 1HB SER 58 8.298 10.495 10.382 392 HG SER 58 HG SER 58 7.344 12.466 11.330 393 H ASN 59 H ASN 59 9.342 14.061 9.687 394 HA ASN 59 HA ASN 59 8.083 15.250 7.348 395 HB2 ASN 59 2HB ASN 59 7.653 15.920 9.786 396 HB3 ASN 59 1HB ASN 59 9.221 16.722 9.720 397 HD21 ASN 59 1HD2 ASN 59 9.473 18.422 7.963 398 HD22 ASN 59 2HD2 ASN 59 8.092 19.276 7.466 399 H SER 60 H SER 60 9.324 15.594 5.606 400 HA SER 60 HA SER 60 12.176 16.121 5.867 401 HB2 SER 60 2HB SER 60 12.055 16.178 3.342 402 HB3 SER 60 1HB SER 60 11.550 14.658 4.075 403 HG SER 60 HG SER 60 10.073 16.606 2.752 404 HA PRO 61 HA PRO 61 11.816 20.522 5.517 405 HB2 PRO 61 2HB PRO 61 14.085 21.231 4.191 406 HB3 PRO 61 1HB PRO 61 14.098 20.625 5.859 407 HG2 PRO 61 2HG PRO 61 14.753 19.214 3.326 408 HG3 PRO 61 1HG PRO 61 15.513 19.090 4.921 409 HD2 PRO 61 2HD PRO 61 13.696 17.256 3.927 410 HD3 PRO 61 1HD PRO 61 14.005 17.517 5.657 411 H THR 62 H THR 62 12.170 22.400 3.785 412 HA THR 62 HA THR 62 11.234 21.536 1.124 413 HB THR 62 HB THR 62 9.616 23.503 1.213 414 HG1 THR 62 1HG THR 62 10.163 24.616 2.968 415 HG21 THR 62 3HG2 THR 62 8.967 21.092 1.418 416 HG22 THR 62 1HG2 THR 62 7.892 22.182 2.292 417 HG23 THR 62 2HG2 THR 62 9.104 21.248 3.169 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -26.812 -12.053 -20.840 2 H2 GLY 1 2HT GLY 1 -27.167 -12.269 -19.193 3 H3 GLY 1 3HT GLY 1 -26.527 -10.794 -19.740 4 HA2 GLY 1 2HA GLY 1 -28.568 -10.528 -21.140 5 HA3 GLY 1 1HA GLY 1 -29.228 -11.901 -20.249 6 H SER 2 H SER 2 -30.882 -10.427 -19.457 7 HA SER 2 HA SER 2 -30.012 -8.341 -17.596 8 HB2 SER 2 2HB SER 2 -32.761 -9.167 -18.552 9 HB3 SER 2 1HB SER 2 -32.441 -7.831 -17.449 10 HG SER 2 HG SER 2 -31.934 -6.675 -19.117 11 H MET 3 H MET 3 -29.248 -9.331 -15.771 12 HA MET 3 HA MET 3 -31.229 -10.577 -14.047 13 HB2 MET 3 2HB MET 3 -28.812 -12.059 -15.083 14 HB3 MET 3 1HB MET 3 -29.592 -12.494 -13.563 15 HG2 MET 3 2HG MET 3 -31.776 -12.643 -14.852 16 HG3 MET 3 1HG MET 3 -30.823 -12.493 -16.329 17 HE1 MET 3 3HE MET 3 -31.083 -16.105 -16.965 18 HE2 MET 3 1HE MET 3 -31.011 -14.437 -17.550 19 HE3 MET 3 2HE MET 3 -32.374 -14.971 -16.571 20 H ALA 4 H ALA 4 -29.661 -8.102 -14.052 21 HA ALA 4 HA ALA 4 -27.939 -8.518 -11.679 22 HB1 ALA 4 1HB ALA 4 -27.877 -6.494 -13.912 23 HB2 ALA 4 2HB ALA 4 -26.591 -7.567 -13.360 24 HB3 ALA 4 3HB ALA 4 -27.070 -6.187 -12.374 25 H GLN 5 H GLN 5 -30.830 -8.347 -11.547 26 HA GLN 5 HA GLN 5 -31.082 -5.884 -9.929 27 HB2 GLN 5 2HB GLN 5 -33.090 -6.999 -11.900 28 HB3 GLN 5 1HB GLN 5 -33.468 -5.754 -10.708 29 HG2 GLN 5 2HG GLN 5 -31.962 -4.203 -11.690 30 HG3 GLN 5 1HG GLN 5 -31.163 -5.458 -12.636 31 HE21 GLN 5 1HE2 GLN 5 -33.420 -2.976 -12.882 32 HE22 GLN 5 2HE2 GLN 5 -34.247 -3.520 -14.272 33 H GLU 6 H GLU 6 -30.375 -8.487 -9.029 34 HA GLU 6 HA GLU 6 -32.806 -9.525 -7.736 35 HB2 GLU 6 2HB GLU 6 -31.015 -10.993 -8.912 36 HB3 GLU 6 1HB GLU 6 -30.051 -10.702 -7.465 37 HG2 GLU 6 2HG GLU 6 -31.722 -11.685 -6.050 38 HG3 GLU 6 1HG GLU 6 -32.891 -11.739 -7.368 39 H THR 7 H THR 7 -29.466 -8.580 -6.881 40 HA THR 7 HA THR 7 -30.226 -8.292 -4.075 41 HB THR 7 HB THR 7 -27.526 -7.681 -5.264 42 HG1 THR 7 1HG THR 7 -27.561 -9.694 -5.863 43 HG21 THR 7 3HG2 THR 7 -28.539 -8.583 -2.557 44 HG22 THR 7 1HG2 THR 7 -27.786 -7.039 -2.956 45 HG23 THR 7 2HG2 THR 7 -26.829 -8.520 -2.989 46 H ASN 8 H ASN 8 -30.340 -6.379 -2.981 47 HA ASN 8 HA ASN 8 -29.838 -3.877 -4.478 48 HB2 ASN 8 2HB ASN 8 -32.321 -4.568 -4.270 49 HB3 ASN 8 1HB ASN 8 -32.143 -4.177 -2.560 50 HD21 ASN 8 1HD2 ASN 8 -33.000 -2.837 -5.520 51 HD22 ASN 8 2HD2 ASN 8 -32.724 -1.195 -5.151 52 H GLN 9 H GLN 9 -30.525 -5.285 -1.273 53 HA GLN 9 HA GLN 9 -28.999 -3.160 0.035 54 HB2 GLN 9 2HB GLN 9 -31.221 -4.102 0.914 55 HB3 GLN 9 1HB GLN 9 -30.298 -5.532 1.374 56 HG2 GLN 9 2HG GLN 9 -29.006 -4.359 2.933 57 HG3 GLN 9 1HG GLN 9 -29.341 -2.799 2.183 58 HE21 GLN 9 1HE2 GLN 9 -31.766 -2.123 2.297 59 HE22 GLN 9 2HE2 GLN 9 -32.592 -2.506 3.740 60 H THR 10 H THR 10 -27.038 -3.448 1.001 61 HA THR 10 HA THR 10 -25.881 -6.113 1.248 62 HB THR 10 HB THR 10 -24.409 -4.011 -0.344 63 HG1 THR 10 1HG THR 10 -25.451 -4.647 -2.039 64 HG21 THR 10 3HG2 THR 10 -23.148 -5.857 0.821 65 HG22 THR 10 1HG2 THR 10 -22.963 -5.853 -0.932 66 HG23 THR 10 2HG2 THR 10 -24.048 -7.012 -0.163 67 HA PRO 11 HA PRO 11 -24.886 -3.308 4.787 68 HB2 PRO 11 2HB PRO 11 -24.295 -5.898 6.109 69 HB3 PRO 11 1HB PRO 11 -25.337 -4.567 6.644 70 HG2 PRO 11 2HG PRO 11 -26.329 -6.882 5.748 71 HG3 PRO 11 1HG PRO 11 -27.143 -5.331 5.475 72 HD2 PRO 11 2HD PRO 11 -25.551 -6.990 3.557 73 HD3 PRO 11 1HD PRO 11 -26.988 -5.985 3.259 74 H GLY 12 H GLY 12 -22.907 -3.028 6.092 75 HA2 GLY 12 2HA GLY 12 -20.627 -3.063 6.461 76 HA3 GLY 12 1HA GLY 12 -20.515 -4.482 5.422 77 HA PRO 13 HA PRO 13 -20.408 -1.126 2.073 78 HB2 PRO 13 2HB PRO 13 -21.037 1.484 2.659 79 HB3 PRO 13 1HB PRO 13 -22.226 0.280 2.116 80 HG2 PRO 13 2HG PRO 13 -21.652 1.276 4.860 81 HG3 PRO 13 1HG PRO 13 -23.205 0.873 4.099 82 HD2 PRO 13 2HD PRO 13 -21.929 -0.796 5.856 83 HD3 PRO 13 1HD PRO 13 -23.000 -1.380 4.561 84 H MET 14 H MET 14 -18.180 -1.549 2.417 85 HA MET 14 HA MET 14 -16.521 -0.120 4.209 86 HB2 MET 14 2HB MET 14 -15.932 -1.708 1.707 87 HB3 MET 14 1HB MET 14 -14.663 -0.964 2.677 88 HG2 MET 14 2HG MET 14 -16.734 -2.788 3.905 89 HG3 MET 14 1HG MET 14 -15.242 -3.411 3.207 90 HE1 MET 14 3HE MET 14 -15.451 -4.037 6.505 91 HE2 MET 14 1HE MET 14 -13.693 -3.911 6.343 92 HE3 MET 14 2HE MET 14 -14.663 -4.520 5.005 93 H LEU 15 H LEU 15 -17.181 2.098 3.877 94 HA LEU 15 HA LEU 15 -16.569 3.394 1.356 95 HB2 LEU 15 2HB LEU 15 -17.835 4.158 3.925 96 HB3 LEU 15 1HB LEU 15 -16.927 5.447 3.138 97 HG LEU 15 HG LEU 15 -18.187 4.912 1.007 98 HD11 LEU 15 1HD1 LEU 15 -19.572 3.058 2.930 99 HD12 LEU 15 2HD1 LEU 15 -19.015 2.734 1.289 100 HD13 LEU 15 3HD1 LEU 15 -20.449 3.727 1.553 101 HD21 LEU 15 3HD2 LEU 15 -19.961 5.656 3.342 102 HD22 LEU 15 1HD2 LEU 15 -20.166 6.133 1.658 103 HD23 LEU 15 2HD2 LEU 15 -18.811 6.763 2.594 104 H CYS 16 H CYS 16 -14.844 4.856 0.994 105 HA CYS 16 HA CYS 16 -12.343 4.135 1.925 106 HB2 CYS 16 2HB CYS 16 -12.889 5.667 -0.039 107 HB3 CYS 16 1HB CYS 16 -12.949 6.975 1.147 108 H SER 17 H SER 17 -11.508 4.125 3.842 109 HA SER 17 HA SER 17 -12.494 5.446 6.111 110 HB2 SER 17 2HB SER 17 -9.759 4.259 5.626 111 HB3 SER 17 1HB SER 17 -10.395 4.721 7.208 112 HG SER 17 HG SER 17 -11.155 2.647 5.483 113 H THR 18 H THR 18 -10.346 6.708 3.667 114 HA THR 18 HA THR 18 -9.189 8.704 5.415 115 HB THR 18 HB THR 18 -8.192 9.619 3.346 116 HG1 THR 18 1HG THR 18 -9.631 9.208 1.789 117 HG21 THR 18 3HG2 THR 18 -6.766 8.028 4.237 118 HG22 THR 18 1HG2 THR 18 -7.104 7.284 2.676 119 HG23 THR 18 2HG2 THR 18 -7.961 6.737 4.116 120 H GLY 19 H GLY 19 -12.204 8.452 3.806 121 HA2 GLY 19 2HA GLY 19 -13.930 10.034 4.170 122 HA3 GLY 19 1HA GLY 19 -12.709 11.290 4.357 123 H CYS 20 H CYS 20 -13.025 8.928 1.710 124 HA CYS 20 HA CYS 20 -12.954 11.109 -0.224 125 HB2 CYS 20 2HB CYS 20 -12.818 8.109 -0.491 126 HB3 CYS 20 1HB CYS 20 -12.995 9.167 -1.890 127 H GLY 21 H GLY 21 -15.272 8.813 1.072 128 HA2 GLY 21 2HA GLY 21 -17.606 8.915 0.912 129 HA3 GLY 21 1HA GLY 21 -17.442 10.181 -0.305 130 H PHE 22 H PHE 22 -15.403 7.571 -1.055 131 HA PHE 22 HA PHE 22 -17.327 6.539 -3.034 132 HB2 PHE 22 2HB PHE 22 -14.298 6.574 -2.999 133 HB3 PHE 22 1HB PHE 22 -15.256 5.730 -4.219 134 HD1 PHE 22 1HD PHE 22 -17.396 7.433 -4.977 135 HD2 PHE 22 2HD PHE 22 -13.415 8.569 -3.810 136 HE1 PHE 22 1HE PHE 22 -17.632 9.557 -6.234 137 HE2 PHE 22 2HE PHE 22 -13.656 10.691 -5.069 138 HZ PHE 22 HZ PHE 22 -15.764 11.186 -6.281 139 H TYR 23 H TYR 23 -16.392 4.138 -3.659 140 HA TYR 23 HA TYR 23 -16.736 2.623 -1.172 141 HB2 TYR 23 2HB TYR 23 -18.056 2.253 -3.396 142 HB3 TYR 23 1HB TYR 23 -16.607 1.379 -3.903 143 HD1 TYR 23 1HD TYR 23 -18.692 1.670 -0.781 144 HD2 TYR 23 2HD TYR 23 -16.673 -0.922 -3.550 145 HE1 TYR 23 1HE TYR 23 -19.414 -0.294 0.534 146 HE2 TYR 23 2HE TYR 23 -17.403 -2.892 -2.237 147 HH TYR 23 HH TYR 23 -19.757 -3.036 -0.278 148 H GLY 24 H GLY 24 -15.319 1.143 -0.389 149 HA2 GLY 24 2HA GLY 24 -12.619 1.082 -1.624 150 HA3 GLY 24 1HA GLY 24 -12.921 0.965 0.113 151 H ASN 25 H ASN 25 -11.401 -0.982 -1.024 152 HA ASN 25 HA ASN 25 -13.232 -3.292 -1.307 153 HB2 ASN 25 2HB ASN 25 -11.485 -2.627 -3.155 154 HB3 ASN 25 1HB ASN 25 -10.342 -3.421 -2.076 155 HD21 ASN 25 1HD2 ASN 25 -13.322 -3.989 -3.965 156 HD22 ASN 25 2HD2 ASN 25 -13.159 -5.686 -4.004 157 HA PRO 26 HA PRO 26 -11.551 -4.608 2.620 158 HB2 PRO 26 2HB PRO 26 -12.412 -7.193 2.671 159 HB3 PRO 26 1HB PRO 26 -13.476 -5.800 2.940 160 HG2 PRO 26 2HG PRO 26 -13.124 -7.473 0.509 161 HG3 PRO 26 1HG PRO 26 -14.595 -6.756 1.185 162 HD2 PRO 26 2HD PRO 26 -13.210 -5.696 -0.955 163 HD3 PRO 26 1HD PRO 26 -14.263 -4.751 0.119 164 H ARG 27 H ARG 27 -10.837 -6.372 -0.354 165 HA ARG 27 HA ARG 27 -8.727 -7.986 0.753 166 HB2 ARG 27 2HB ARG 27 -9.365 -7.204 -2.108 167 HB3 ARG 27 1HB ARG 27 -8.143 -8.387 -1.635 168 HG2 ARG 27 2HG ARG 27 -9.753 -9.902 -0.813 169 HG3 ARG 27 1HG ARG 27 -10.997 -8.657 -0.695 170 HD2 ARG 27 2HD ARG 27 -11.372 -8.628 -3.006 171 HD3 ARG 27 1HD ARG 27 -9.801 -9.339 -3.367 172 HE ARG 27 HE ARG 27 -11.068 -11.306 -1.966 173 HH11 ARG 27 1HH2 ARG 27 -11.950 -9.424 -4.806 174 HH12 ARG 27 2HH2 ARG 27 -12.940 -10.684 -5.457 175 HH21 ARG 27 1HH1 ARG 27 -12.377 -12.888 -2.846 176 HH22 ARG 27 2HH1 ARG 27 -13.181 -12.625 -4.358 177 H THR 28 H THR 28 -9.014 -4.831 -0.805 178 HA THR 28 HA THR 28 -6.164 -4.365 -0.957 179 HB THR 28 HB THR 28 -6.808 -2.105 -1.665 180 HG1 THR 28 1HG THR 28 -8.725 -1.305 -1.249 181 HG21 THR 28 3HG2 THR 28 -8.642 -4.207 -2.833 182 HG22 THR 28 1HG2 THR 28 -6.986 -3.886 -3.341 183 HG23 THR 28 2HG2 THR 28 -8.237 -2.668 -3.595 184 H ASN 29 H ASN 29 -6.280 -1.613 0.183 185 HA ASN 29 HA ASN 29 -5.950 -2.368 2.975 186 HB2 ASN 29 2HB ASN 29 -4.539 -0.703 1.275 187 HB3 ASN 29 1HB ASN 29 -5.407 0.440 2.292 188 HD21 ASN 29 1HD2 ASN 29 -3.330 -2.497 2.523 189 HD22 ASN 29 2HD2 ASN 29 -2.631 -2.058 4.015 190 H GLY 30 H GLY 30 -8.733 -2.112 1.883 191 HA2 GLY 30 2HA GLY 30 -10.746 -1.327 2.639 192 HA3 GLY 30 1HA GLY 30 -9.885 -0.707 4.044 193 H MET 31 H MET 31 -8.728 0.452 0.988 194 HA MET 31 HA MET 31 -10.259 2.962 1.323 195 HB2 MET 31 2HB MET 31 -7.356 2.734 0.485 196 HB3 MET 31 1HB MET 31 -8.279 4.226 0.701 197 HG2 MET 31 2HG MET 31 -8.709 3.348 3.112 198 HG3 MET 31 1HG MET 31 -7.350 2.270 2.798 199 HE1 MET 31 3HE MET 31 -5.064 4.444 4.678 200 HE2 MET 31 1HE MET 31 -5.262 2.879 3.876 201 HE3 MET 31 2HE MET 31 -6.484 3.455 5.009 202 H CYS 32 H CYS 32 -9.785 4.336 -0.851 203 HA CYS 32 HA CYS 32 -10.903 2.681 -2.935 204 HB2 CYS 32 2HB CYS 32 -11.438 4.745 -4.056 205 HB3 CYS 32 1HB CYS 32 -11.852 4.918 -2.357 206 H SER 33 H SER 33 -10.025 3.618 -5.279 207 HA SER 33 HA SER 33 -7.542 2.291 -5.614 208 HB2 SER 33 2HB SER 33 -9.583 2.990 -7.275 209 HB3 SER 33 1HB SER 33 -8.360 4.156 -7.764 210 HG SER 33 HG SER 33 -7.137 2.574 -8.492 211 H VAL 34 H VAL 34 -8.343 5.763 -5.693 212 HA VAL 34 HA VAL 34 -5.735 6.668 -6.369 213 HB VAL 34 HB VAL 34 -7.768 8.269 -4.796 214 HG11 VAL 34 1HG1 VAL 34 -5.535 9.266 -5.133 215 HG12 VAL 34 2HG1 VAL 34 -6.767 10.140 -6.045 216 HG13 VAL 34 3HG1 VAL 34 -5.687 9.017 -6.873 217 HG21 VAL 34 3HG2 VAL 34 -7.745 7.464 -7.705 218 HG22 VAL 34 1HG2 VAL 34 -8.449 9.005 -7.212 219 HG23 VAL 34 2HG2 VAL 34 -9.100 7.495 -6.578 220 H CYS 35 H CYS 35 -7.321 6.087 -3.282 221 HA CYS 35 HA CYS 35 -5.292 7.258 -1.641 222 HB2 CYS 35 2HB CYS 35 -7.668 5.481 -1.159 223 HB3 CYS 35 1HB CYS 35 -6.520 5.806 0.143 224 H TYR 36 H TYR 36 -5.995 3.934 -2.676 225 HA TYR 36 HA TYR 36 -4.176 2.637 -0.985 226 HB2 TYR 36 2HB TYR 36 -5.994 1.509 -2.238 227 HB3 TYR 36 1HB TYR 36 -5.069 1.715 -3.718 228 HD1 TYR 36 1HD TYR 36 -4.028 0.730 -0.233 229 HD2 TYR 36 2HD TYR 36 -4.255 -0.372 -4.378 230 HE1 TYR 36 1HE TYR 36 -2.772 -1.351 0.252 231 HE2 TYR 36 2HE TYR 36 -2.999 -2.455 -3.890 232 HH TYR 36 HH TYR 36 -2.652 -3.942 -1.785 233 H LYS 37 H LYS 37 -3.632 4.196 -4.101 234 HA LYS 37 HA LYS 37 -0.970 3.116 -4.355 235 HB2 LYS 37 2HB LYS 37 -2.819 4.739 -5.965 236 HB3 LYS 37 1HB LYS 37 -1.153 5.283 -6.090 237 HG2 LYS 37 2HG LYS 37 -1.255 3.659 -7.774 238 HG3 LYS 37 1HG LYS 37 -0.621 2.731 -6.415 239 HD2 LYS 37 2HD LYS 37 -3.173 2.305 -5.894 240 HD3 LYS 37 1HD LYS 37 -3.383 2.703 -7.601 241 HE2 LYS 37 2HE LYS 37 -1.369 0.652 -6.646 242 HE3 LYS 37 1HE LYS 37 -3.028 0.227 -7.072 243 HZ1 LYS 37 3HZ LYS 37 -1.061 1.567 -8.854 244 HZ2 LYS 37 1HZ LYS 37 -2.664 1.194 -9.267 245 HZ3 LYS 37 2HZ LYS 37 -1.556 -0.055 -8.957 246 H GLU 38 H GLU 38 -2.440 6.235 -3.518 247 HA GLU 38 HA GLU 38 -0.069 7.690 -3.148 248 HB2 GLU 38 2HB GLU 38 -2.835 8.038 -1.998 249 HB3 GLU 38 1HB GLU 38 -1.531 9.188 -1.712 250 HG2 GLU 38 2HG GLU 38 -2.331 8.321 -4.497 251 HG3 GLU 38 1HG GLU 38 -3.079 9.701 -3.687 252 H HIS 39 H HIS 39 -2.044 5.938 -0.695 253 HA HIS 39 HA HIS 39 -0.195 6.735 1.369 254 HB2 HIS 39 2HB HIS 39 -1.587 5.729 2.947 255 HB3 HIS 39 1HB HIS 39 -2.672 6.359 1.715 256 HD1 HIS 39 1HD HIS 39 -4.500 4.800 1.249 257 HD2 HIS 39 2HD HIS 39 -1.023 2.739 2.228 258 HE1 HIS 39 1HE HIS 39 -5.121 2.346 1.321 259 HE2 HIS 39 2HE HIS 39 -3.006 1.075 1.921 260 H LEU 40 H LEU 40 -0.680 3.725 -0.435 261 HA LEU 40 HA LEU 40 1.145 2.123 1.024 262 HB2 LEU 40 2HB LEU 40 -0.481 1.328 -0.748 263 HB3 LEU 40 1HB LEU 40 0.638 1.963 -1.955 264 HG LEU 40 HG LEU 40 2.433 0.501 -1.014 265 HD11 LEU 40 1HD1 LEU 40 1.707 0.181 1.252 266 HD12 LEU 40 2HD1 LEU 40 1.605 -1.397 0.473 267 HD13 LEU 40 3HD1 LEU 40 0.143 -0.446 0.729 268 HD21 LEU 40 3HD2 LEU 40 1.259 -0.345 -2.932 269 HD22 LEU 40 1HD2 LEU 40 -0.145 -0.782 -1.958 270 HD23 LEU 40 2HD2 LEU 40 1.361 -1.680 -1.785 271 H GLN 41 H GLN 41 1.629 4.633 -1.324 272 HA GLN 41 HA GLN 41 4.318 4.042 -2.076 273 HB2 GLN 41 2HB GLN 41 2.396 6.201 -2.506 274 HB3 GLN 41 1HB GLN 41 4.029 6.825 -2.300 275 HG2 GLN 41 2HG GLN 41 4.812 5.178 -4.023 276 HG3 GLN 41 1HG GLN 41 3.125 4.733 -4.300 277 HE21 GLN 41 1HE2 GLN 41 5.370 7.532 -4.430 278 HE22 GLN 41 2HE2 GLN 41 4.472 8.387 -5.602 279 H ARG 42 H ARG 42 2.902 5.972 0.534 280 HA ARG 42 HA ARG 42 5.411 7.021 1.464 281 HB2 ARG 42 2HB ARG 42 2.673 6.905 2.740 282 HB3 ARG 42 1HB ARG 42 4.058 7.748 3.438 283 HG2 ARG 42 2HG ARG 42 4.244 9.095 1.339 284 HG3 ARG 42 1HG ARG 42 2.780 8.314 0.744 285 HD2 ARG 42 2HD ARG 42 1.452 9.267 2.480 286 HD3 ARG 42 1HD ARG 42 2.871 9.778 3.385 287 HE ARG 42 HE ARG 42 2.998 11.047 0.898 288 HH11 ARG 42 1HH2 ARG 42 0.823 11.030 3.667 289 HH12 ARG 42 2HH2 ARG 42 0.383 12.688 3.458 290 HH21 ARG 42 1HH1 ARG 42 2.390 13.199 0.688 291 HH22 ARG 42 2HH1 ARG 42 1.259 13.904 1.794 292 H GLN 43 H GLN 43 3.500 4.159 2.172 293 HA GLN 43 HA GLN 43 4.932 3.496 4.599 294 HB2 GLN 43 2HB GLN 43 3.005 1.934 2.870 295 HB3 GLN 43 1HB GLN 43 3.720 1.302 4.354 296 HG2 GLN 43 2HG GLN 43 2.739 3.123 5.646 297 HG3 GLN 43 1HG GLN 43 2.106 3.861 4.174 298 HE21 GLN 43 1HE2 GLN 43 -0.131 3.581 4.434 299 HE22 GLN 43 2HE2 GLN 43 -0.877 2.073 4.666 300 H GLN 44 H GLN 44 5.105 2.632 1.185 301 HA GLN 44 HA GLN 44 6.925 0.458 1.470 302 HB2 GLN 44 2HB GLN 44 5.416 1.178 -0.552 303 HB3 GLN 44 1HB GLN 44 6.812 2.157 -0.998 304 HG2 GLN 44 2HG GLN 44 8.231 0.085 -0.822 305 HG3 GLN 44 1HG GLN 44 6.751 -0.845 -0.588 306 HE21 GLN 44 1HE2 GLN 44 4.981 0.087 -2.416 307 HE22 GLN 44 2HE2 GLN 44 5.607 0.009 -4.001 308 H ASN 45 H ASN 45 7.352 3.923 0.785 309 HA ASN 45 HA ASN 45 10.165 3.831 0.408 310 HB2 ASN 45 2HB ASN 45 8.193 6.006 1.020 311 HB3 ASN 45 1HB ASN 45 9.922 6.347 1.082 312 HD21 ASN 45 1HD2 ASN 45 7.368 5.086 -1.104 313 HD22 ASN 45 2HD2 ASN 45 8.178 5.523 -2.540 314 H SER 46 H SER 46 8.231 3.720 3.301 315 HA SER 46 HA SER 46 9.998 4.858 5.169 316 HB2 SER 46 2HB SER 46 7.585 4.143 5.548 317 HB3 SER 46 1HB SER 46 8.198 2.502 5.729 318 HG SER 46 HG SER 46 7.999 3.859 7.695 319 H GLY 47 H GLY 47 9.572 1.397 4.333 320 HA2 GLY 47 2HA GLY 47 11.990 0.440 3.937 321 HA3 GLY 47 1HA GLY 47 12.116 0.775 5.661 322 H ARG 48 H ARG 48 9.957 -0.869 3.331 323 HA ARG 48 HA ARG 48 9.589 -3.040 5.319 324 HB2 ARG 48 2HB ARG 48 7.544 -1.551 4.826 325 HB3 ARG 48 1HB ARG 48 7.536 -2.314 3.235 326 HG2 ARG 48 2HG ARG 48 7.162 -4.470 4.141 327 HG3 ARG 48 1HG ARG 48 7.625 -3.958 5.765 328 HD2 ARG 48 2HD ARG 48 5.273 -2.699 4.373 329 HD3 ARG 48 1HD ARG 48 5.095 -4.227 5.230 330 HE ARG 48 HE ARG 48 6.384 -2.166 6.795 331 HH11 ARG 48 1HH2 ARG 48 3.281 -3.537 5.855 332 HH12 ARG 48 2HH2 ARG 48 2.471 -2.911 7.247 333 HH21 ARG 48 1HH1 ARG 48 5.270 -1.376 8.573 334 HH22 ARG 48 2HH1 ARG 48 3.579 -1.701 8.767 335 H MET 49 H MET 49 9.954 -5.078 4.618 336 HA MET 49 HA MET 49 10.541 -5.467 1.736 337 HB2 MET 49 2HB MET 49 11.899 -6.570 4.195 338 HB3 MET 49 1HB MET 49 12.061 -7.337 2.615 339 HG2 MET 49 2HG MET 49 12.821 -5.114 1.701 340 HG3 MET 49 1HG MET 49 12.843 -4.506 3.357 341 HE1 MET 49 3HE MET 49 15.045 -4.791 1.043 342 HE2 MET 49 1HE MET 49 16.531 -5.282 1.867 343 HE3 MET 49 2HE MET 49 15.550 -3.973 2.519 344 H SER 50 H SER 50 10.498 -7.943 1.244 345 HA SER 50 HA SER 50 8.459 -9.400 2.728 346 HB2 SER 50 2HB SER 50 7.169 -9.809 0.580 347 HB3 SER 50 1HB SER 50 7.010 -8.197 1.269 348 HG SER 50 HG SER 50 7.566 -8.536 -1.109 349 HA PRO 51 HA PRO 51 10.970 -12.755 1.290 350 HB2 PRO 51 2HB PRO 51 9.305 -14.879 1.550 351 HB3 PRO 51 1HB PRO 51 9.947 -13.999 2.951 352 HG2 PRO 51 2HG PRO 51 7.258 -13.851 1.691 353 HG3 PRO 51 1HG PRO 51 7.713 -13.783 3.401 354 HD2 PRO 51 2HD PRO 51 7.106 -11.560 1.856 355 HD3 PRO 51 1HD PRO 51 8.076 -11.518 3.344 356 H MET 52 H MET 52 7.668 -12.863 -0.078 357 HA MET 52 HA MET 52 8.796 -13.826 -2.644 358 HB2 MET 52 2HB MET 52 7.051 -15.229 -1.371 359 HB3 MET 52 1HB MET 52 5.894 -13.982 -1.842 360 HG2 MET 52 2HG MET 52 6.607 -14.317 -4.229 361 HG3 MET 52 1HG MET 52 7.589 -15.681 -3.693 362 HE1 MET 52 3HE MET 52 4.119 -14.099 -3.981 363 HE2 MET 52 1HE MET 52 3.185 -15.488 -4.554 364 HE3 MET 52 2HE MET 52 4.579 -14.919 -5.471 365 H GLY 53 H GLY 53 8.213 -12.797 -4.558 366 HA2 GLY 53 2HA GLY 53 7.099 -11.200 -5.896 367 HA3 GLY 53 1HA GLY 53 6.468 -10.446 -4.434 368 H THR 54 H THR 54 9.844 -11.321 -5.012 369 HA THR 54 HA THR 54 10.710 -8.644 -4.353 370 HB THR 54 HB THR 54 12.998 -9.630 -4.781 371 HG1 THR 54 1HG THR 54 13.084 -11.820 -5.174 372 HG21 THR 54 3HG2 THR 54 11.770 -9.649 -2.559 373 HG22 THR 54 1HG2 THR 54 12.991 -10.906 -2.751 374 HG23 THR 54 2HG2 THR 54 11.283 -11.301 -2.933 375 H ALA 55 H ALA 55 10.671 -7.055 -5.813 376 HA ALA 55 HA ALA 55 10.683 -7.609 -8.656 377 HB1 ALA 55 1HB ALA 55 9.353 -5.764 -7.448 378 HB2 ALA 55 2HB ALA 55 10.172 -5.328 -8.947 379 HB3 ALA 55 3HB ALA 55 10.879 -4.881 -7.394 380 H SER 56 H SER 56 12.118 -5.976 -9.993 381 HA SER 56 HA SER 56 14.829 -5.778 -8.871 382 HB2 SER 56 2HB SER 56 14.420 -7.968 -10.223 383 HB3 SER 56 1HB SER 56 14.454 -6.910 -11.630 384 HG SER 56 HG SER 56 16.538 -6.946 -11.437 385 H GLY 57 H GLY 57 16.292 -4.590 -10.483 386 HA2 GLY 57 2HA GLY 57 16.424 -3.036 -12.349 387 HA3 GLY 57 1HA GLY 57 14.765 -2.556 -12.003 388 H SER 58 H SER 58 15.032 -2.380 -9.158 389 HA SER 58 HA SER 58 16.123 0.271 -8.948 390 HB2 SER 58 2HB SER 58 14.806 -1.637 -7.036 391 HB3 SER 58 1HB SER 58 15.586 -0.175 -6.438 392 HG SER 58 HG SER 58 13.235 -0.156 -7.136 393 H ASN 59 H ASN 59 16.994 -2.912 -7.596 394 HA ASN 59 HA ASN 59 19.398 -1.899 -6.352 395 HB2 ASN 59 2HB ASN 59 18.356 -4.707 -6.780 396 HB3 ASN 59 1HB ASN 59 19.819 -4.320 -5.876 397 HD21 ASN 59 1HD2 ASN 59 19.560 -3.698 -3.696 398 HD22 ASN 59 2HD2 ASN 59 18.056 -3.404 -2.967 399 H SER 60 H SER 60 21.212 -1.470 -7.432 400 HA SER 60 HA SER 60 21.645 -2.524 -10.105 401 HB2 SER 60 2HB SER 60 22.214 -0.137 -9.149 402 HB3 SER 60 1HB SER 60 23.693 -0.927 -8.605 403 HG SER 60 HG SER 60 24.329 -0.644 -10.585 404 HA PRO 61 HA PRO 61 24.325 -5.786 -8.702 405 HB2 PRO 61 2HB PRO 61 25.563 -6.462 -11.010 406 HB3 PRO 61 1HB PRO 61 23.834 -6.756 -10.748 407 HG2 PRO 61 2HG PRO 61 25.172 -4.664 -12.359 408 HG3 PRO 61 1HG PRO 61 23.636 -5.497 -12.635 409 HD2 PRO 61 2HD PRO 61 23.933 -2.920 -11.545 410 HD3 PRO 61 1HD PRO 61 22.458 -3.909 -11.492 411 H THR 62 H THR 62 26.554 -6.348 -8.296 412 HA THR 62 HA THR 62 28.619 -4.421 -9.042 413 HB THR 62 HB THR 62 29.335 -4.191 -6.652 414 HG1 THR 62 1HG THR 62 26.775 -5.320 -6.193 415 HG21 THR 62 3HG2 THR 62 26.505 -3.214 -7.034 416 HG22 THR 62 1HG2 THR 62 27.855 -2.540 -7.946 417 HG23 THR 62 2HG2 THR 62 27.830 -2.415 -6.187 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -29.381 4.777 19.853 2 H2 GLY 1 2HT GLY 1 -29.072 5.752 18.497 3 H3 GLY 1 3HT GLY 1 -28.737 4.087 18.445 4 HA2 GLY 1 2HA GLY 1 -30.748 4.504 17.231 5 HA3 GLY 1 1HA GLY 1 -31.121 3.615 18.709 6 H SER 2 H SER 2 -32.529 5.763 16.939 7 HA SER 2 HA SER 2 -33.567 7.325 19.219 8 HB2 SER 2 2HB SER 2 -33.696 9.319 17.718 9 HB3 SER 2 1HB SER 2 -32.046 8.829 18.087 10 HG SER 2 HG SER 2 -32.961 9.206 15.744 11 H MET 3 H MET 3 -34.054 6.619 15.745 12 HA MET 3 HA MET 3 -36.812 5.837 16.280 13 HB2 MET 3 2HB MET 3 -36.052 8.232 14.613 14 HB3 MET 3 1HB MET 3 -37.566 7.363 14.357 15 HG2 MET 3 2HG MET 3 -38.118 7.700 16.771 16 HG3 MET 3 1HG MET 3 -36.656 8.672 16.936 17 HE1 MET 3 3HE MET 3 -37.142 11.737 14.862 18 HE2 MET 3 1HE MET 3 -36.631 10.272 14.011 19 HE3 MET 3 2HE MET 3 -36.061 10.588 15.647 20 H ALA 4 H ALA 4 -37.575 4.354 14.821 21 HA ALA 4 HA ALA 4 -35.670 3.454 12.756 22 HB1 ALA 4 1HB ALA 4 -38.087 1.985 13.829 23 HB2 ALA 4 2HB ALA 4 -36.476 1.852 14.534 24 HB3 ALA 4 3HB ALA 4 -36.760 1.318 12.876 25 H GLN 5 H GLN 5 -37.349 5.788 12.331 26 HA GLN 5 HA GLN 5 -39.421 4.887 10.470 27 HB2 GLN 5 2HB GLN 5 -38.661 7.541 11.662 28 HB3 GLN 5 1HB GLN 5 -39.717 7.455 10.251 29 HG2 GLN 5 2HG GLN 5 -41.148 5.816 11.551 30 HG3 GLN 5 1HG GLN 5 -40.183 6.213 12.971 31 HE21 GLN 5 1HE2 GLN 5 -42.864 7.217 11.055 32 HE22 GLN 5 2HE2 GLN 5 -43.109 8.731 11.801 33 H GLU 6 H GLU 6 -36.291 6.525 10.495 34 HA GLU 6 HA GLU 6 -36.317 7.176 7.694 35 HB2 GLU 6 2HB GLU 6 -34.054 7.044 9.702 36 HB3 GLU 6 1HB GLU 6 -33.898 7.658 8.057 37 HG2 GLU 6 2HG GLU 6 -35.766 9.285 8.595 38 HG3 GLU 6 1HG GLU 6 -35.626 8.775 10.278 39 H THR 7 H THR 7 -34.501 6.341 6.254 40 HA THR 7 HA THR 7 -34.775 3.499 5.997 41 HB THR 7 HB THR 7 -32.754 5.164 4.510 42 HG1 THR 7 1HG THR 7 -34.301 6.152 3.484 43 HG21 THR 7 3HG2 THR 7 -34.453 2.742 3.879 44 HG22 THR 7 1HG2 THR 7 -32.698 2.804 4.032 45 HG23 THR 7 2HG2 THR 7 -33.492 3.598 2.673 46 H ASN 8 H ASN 8 -33.751 2.153 7.341 47 HA ASN 8 HA ASN 8 -31.336 2.809 8.726 48 HB2 ASN 8 2HB ASN 8 -33.228 1.125 9.360 49 HB3 ASN 8 1HB ASN 8 -32.318 -0.006 8.362 50 HD21 ASN 8 1HD2 ASN 8 -29.964 -0.323 8.992 51 HD22 ASN 8 2HD2 ASN 8 -29.537 -0.145 10.634 52 H GLN 9 H GLN 9 -32.103 0.913 5.842 53 HA GLN 9 HA GLN 9 -29.461 -0.136 5.480 54 HB2 GLN 9 2HB GLN 9 -31.703 -1.009 4.523 55 HB3 GLN 9 1HB GLN 9 -31.474 0.211 3.272 56 HG2 GLN 9 2HG GLN 9 -29.228 -0.745 2.791 57 HG3 GLN 9 1HG GLN 9 -29.537 -2.009 3.980 58 HE21 GLN 9 1HE2 GLN 9 -31.208 -3.626 3.463 59 HE22 GLN 9 2HE2 GLN 9 -31.765 -3.817 1.862 60 H THR 10 H THR 10 -27.721 0.814 4.630 61 HA THR 10 HA THR 10 -28.005 3.017 2.726 62 HB THR 10 HB THR 10 -26.234 4.290 4.102 63 HG1 THR 10 1HG THR 10 -25.756 2.735 5.605 64 HG21 THR 10 3HG2 THR 10 -28.566 5.039 3.816 65 HG22 THR 10 1HG2 THR 10 -27.988 5.378 5.447 66 HG23 THR 10 2HG2 THR 10 -29.061 4.009 5.159 67 HA PRO 11 HA PRO 11 -24.650 0.257 1.290 68 HB2 PRO 11 2HB PRO 11 -24.565 2.162 -0.991 69 HB3 PRO 11 1HB PRO 11 -24.746 0.397 -0.995 70 HG2 PRO 11 2HG PRO 11 -26.789 2.015 -1.551 71 HG3 PRO 11 1HG PRO 11 -27.012 0.494 -0.670 72 HD2 PRO 11 2HD PRO 11 -26.975 3.297 0.397 73 HD3 PRO 11 1HD PRO 11 -27.984 1.918 0.888 74 H GLY 12 H GLY 12 -22.402 0.852 0.198 75 HA2 GLY 12 2HA GLY 12 -20.434 2.094 0.202 76 HA3 GLY 12 1HA GLY 12 -21.273 3.380 1.062 77 HA PRO 13 HA PRO 13 -20.374 0.492 4.801 78 HB2 PRO 13 2HB PRO 13 -19.206 -1.979 4.255 79 HB3 PRO 13 1HB PRO 13 -20.934 -1.707 4.554 80 HG2 PRO 13 2HG PRO 13 -19.487 -2.015 1.971 81 HG3 PRO 13 1HG PRO 13 -21.080 -2.622 2.459 82 HD2 PRO 13 2HD PRO 13 -20.834 -0.463 0.861 83 HD3 PRO 13 1HD PRO 13 -22.132 -0.585 2.074 84 H MET 14 H MET 14 -17.904 -0.959 2.648 85 HA MET 14 HA MET 14 -15.749 -0.017 4.287 86 HB2 MET 14 2HB MET 14 -16.052 -1.674 1.828 87 HB3 MET 14 1HB MET 14 -14.499 -0.872 2.041 88 HG2 MET 14 2HG MET 14 -14.163 -2.897 3.162 89 HG3 MET 14 1HG MET 14 -14.627 -1.819 4.476 90 HE1 MET 14 3HE MET 14 -15.285 -3.923 6.006 91 HE2 MET 14 1HE MET 14 -17.042 -3.862 6.196 92 HE3 MET 14 2HE MET 14 -16.111 -2.370 6.106 93 H LEU 15 H LEU 15 -16.695 2.305 4.007 94 HA LEU 15 HA LEU 15 -16.036 3.623 1.525 95 HB2 LEU 15 2HB LEU 15 -17.821 4.171 3.494 96 HB3 LEU 15 1HB LEU 15 -16.514 5.254 3.964 97 HG LEU 15 HG LEU 15 -16.491 6.154 1.616 98 HD11 LEU 15 1HD1 LEU 15 -18.693 4.125 1.371 99 HD12 LEU 15 2HD1 LEU 15 -17.446 4.562 0.208 100 HD13 LEU 15 3HD1 LEU 15 -18.830 5.625 0.451 101 HD21 LEU 15 3HD2 LEU 15 -18.652 7.401 1.863 102 HD22 LEU 15 1HD2 LEU 15 -17.709 7.352 3.353 103 HD23 LEU 15 2HD2 LEU 15 -19.102 6.288 3.155 104 H CYS 16 H CYS 16 -14.351 5.045 1.124 105 HA CYS 16 HA CYS 16 -11.819 4.561 1.816 106 HB2 CYS 16 2HB CYS 16 -12.761 6.317 0.206 107 HB3 CYS 16 1HB CYS 16 -12.713 7.421 1.579 108 H SER 17 H SER 17 -10.741 4.387 3.627 109 HA SER 17 HA SER 17 -11.508 5.355 6.154 110 HB2 SER 17 2HB SER 17 -8.743 4.593 5.193 111 HB3 SER 17 1HB SER 17 -9.231 4.765 6.880 112 HG SER 17 HG SER 17 -10.403 2.969 6.734 113 H THR 18 H THR 18 -9.710 6.923 3.575 114 HA THR 18 HA THR 18 -8.694 9.026 5.296 115 HB THR 18 HB THR 18 -7.666 9.949 3.353 116 HG1 THR 18 1HG THR 18 -8.884 9.936 1.660 117 HG21 THR 18 3HG2 THR 18 -6.232 8.219 2.775 118 HG22 THR 18 1HG2 THR 18 -7.535 7.035 2.658 119 HG23 THR 18 2HG2 THR 18 -6.960 7.564 4.240 120 H GLY 19 H GLY 19 -11.727 8.420 3.877 121 HA2 GLY 19 2HA GLY 19 -13.629 9.706 3.862 122 HA3 GLY 19 1HA GLY 19 -12.702 10.995 4.626 123 H CYS 20 H CYS 20 -12.177 9.414 1.453 124 HA CYS 20 HA CYS 20 -12.058 12.052 0.236 125 HB2 CYS 20 2HB CYS 20 -10.935 11.104 -1.555 126 HB3 CYS 20 1HB CYS 20 -10.448 10.052 -0.233 127 H GLY 21 H GLY 21 -14.504 9.720 0.721 128 HA2 GLY 21 2HA GLY 21 -16.772 10.163 0.249 129 HA3 GLY 21 1HA GLY 21 -16.273 11.216 -1.067 130 H PHE 22 H PHE 22 -14.519 8.352 -1.399 131 HA PHE 22 HA PHE 22 -16.451 7.361 -3.389 132 HB2 PHE 22 2HB PHE 22 -13.450 7.209 -3.180 133 HB3 PHE 22 1HB PHE 22 -14.346 6.196 -4.299 134 HD1 PHE 22 1HD PHE 22 -14.272 9.807 -3.225 135 HD2 PHE 22 2HD PHE 22 -14.564 6.991 -6.457 136 HE1 PHE 22 1HE PHE 22 -14.363 11.677 -4.843 137 HE2 PHE 22 2HE PHE 22 -14.647 8.867 -8.076 138 HZ PHE 22 HZ PHE 22 -14.547 11.208 -7.268 139 H TYR 23 H TYR 23 -15.593 4.814 -3.801 140 HA TYR 23 HA TYR 23 -16.376 3.491 -1.299 141 HB2 TYR 23 2HB TYR 23 -17.564 3.086 -3.548 142 HB3 TYR 23 1HB TYR 23 -16.135 2.146 -3.983 143 HD1 TYR 23 1HD TYR 23 -18.214 2.535 -0.860 144 HD2 TYR 23 2HD TYR 23 -16.457 -0.145 -3.724 145 HE1 TYR 23 1HE TYR 23 -19.091 0.603 0.416 146 HE2 TYR 23 2HE TYR 23 -17.334 -2.082 -2.443 147 HH TYR 23 HH TYR 23 -19.709 -1.992 -0.373 148 H GLY 24 H GLY 24 -15.208 1.885 -0.331 149 HA2 GLY 24 2HA GLY 24 -12.407 1.563 -1.260 150 HA3 GLY 24 1HA GLY 24 -12.919 1.480 0.427 151 H ASN 25 H ASN 25 -11.434 -0.566 -0.827 152 HA ASN 25 HA ASN 25 -13.414 -2.735 -1.174 153 HB2 ASN 25 2HB ASN 25 -11.443 -2.159 -2.872 154 HB3 ASN 25 1HB ASN 25 -10.506 -3.144 -1.752 155 HD21 ASN 25 1HD2 ASN 25 -10.309 -5.067 -3.006 156 HD22 ASN 25 2HD2 ASN 25 -11.651 -5.978 -3.531 157 HA PRO 26 HA PRO 26 -12.061 -4.123 2.857 158 HB2 PRO 26 2HB PRO 26 -13.113 -6.646 2.870 159 HB3 PRO 26 1HB PRO 26 -14.081 -5.179 3.104 160 HG2 PRO 26 2HG PRO 26 -13.774 -6.879 0.690 161 HG3 PRO 26 1HG PRO 26 -15.199 -6.026 1.300 162 HD2 PRO 26 2HD PRO 26 -13.629 -5.117 -0.782 163 HD3 PRO 26 1HD PRO 26 -14.646 -4.070 0.230 164 H ARG 27 H ARG 27 -11.377 -5.970 -0.065 165 HA ARG 27 HA ARG 27 -9.440 -7.735 1.101 166 HB2 ARG 27 2HB ARG 27 -9.983 -6.896 -1.757 167 HB3 ARG 27 1HB ARG 27 -8.775 -8.097 -1.303 168 HG2 ARG 27 2HG ARG 27 -10.386 -9.621 -0.539 169 HG3 ARG 27 1HG ARG 27 -11.618 -8.372 -0.351 170 HD2 ARG 27 2HD ARG 27 -11.706 -8.091 -2.801 171 HD3 ARG 27 1HD ARG 27 -10.473 -9.332 -2.985 172 HE ARG 27 HE ARG 27 -12.839 -10.187 -1.537 173 HH11 ARG 27 1HH2 ARG 27 -11.331 -9.912 -4.708 174 HH12 ARG 27 2HH2 ARG 27 -12.291 -11.179 -5.385 175 HH21 ARG 27 1HH1 ARG 27 -14.077 -11.804 -2.494 176 HH22 ARG 27 2HH1 ARG 27 -13.830 -12.230 -4.155 177 H THR 28 H THR 28 -9.395 -4.518 -0.302 178 HA THR 28 HA THR 28 -6.505 -4.355 -0.448 179 HB THR 28 HB THR 28 -6.902 -1.991 -1.044 180 HG1 THR 28 1HG THR 28 -8.668 -1.063 -0.453 181 HG21 THR 28 3HG2 THR 28 -7.079 -3.415 -2.915 182 HG22 THR 28 1HG2 THR 28 -8.533 -2.421 -2.986 183 HG23 THR 28 2HG2 THR 28 -8.624 -4.073 -2.377 184 H ASN 29 H ASN 29 -6.448 -1.593 0.831 185 HA ASN 29 HA ASN 29 -6.164 -2.524 3.578 186 HB2 ASN 29 2HB ASN 29 -4.795 -0.654 1.900 187 HB3 ASN 29 1HB ASN 29 -5.432 0.247 3.274 188 HD21 ASN 29 1HD2 ASN 29 -3.787 -2.933 2.703 189 HD22 ASN 29 2HD2 ASN 29 -2.755 -2.791 4.056 190 H GLY 30 H GLY 30 -8.897 -2.093 2.450 191 HA2 GLY 30 2HA GLY 30 -10.890 -1.319 3.289 192 HA3 GLY 30 1HA GLY 30 -9.996 -0.582 4.618 193 H MET 31 H MET 31 -8.899 0.221 1.428 194 HA MET 31 HA MET 31 -10.350 2.790 1.514 195 HB2 MET 31 2HB MET 31 -7.421 2.342 0.889 196 HB3 MET 31 1HB MET 31 -8.266 3.889 0.764 197 HG2 MET 31 2HG MET 31 -8.923 3.530 3.226 198 HG3 MET 31 1HG MET 31 -7.700 2.264 3.251 199 HE1 MET 31 3HE MET 31 -4.717 3.973 4.254 200 HE2 MET 31 1HE MET 31 -5.576 2.489 3.819 201 HE3 MET 31 2HE MET 31 -6.158 3.490 5.145 202 H CYS 32 H CYS 32 -10.059 3.955 -0.658 203 HA CYS 32 HA CYS 32 -11.257 2.421 -2.697 204 HB2 CYS 32 2HB CYS 32 -9.748 5.014 -3.021 205 HB3 CYS 32 1HB CYS 32 -10.940 4.363 -4.137 206 H SER 33 H SER 33 -10.316 2.374 -5.009 207 HA SER 33 HA SER 33 -7.960 0.737 -4.967 208 HB2 SER 33 2HB SER 33 -9.654 1.867 -7.201 209 HB3 SER 33 1HB SER 33 -8.217 0.892 -7.501 210 HG SER 33 HG SER 33 -10.594 0.183 -6.132 211 H VAL 34 H VAL 34 -8.725 4.009 -6.162 212 HA VAL 34 HA VAL 34 -6.073 4.585 -7.062 213 HB VAL 34 HB VAL 34 -8.222 6.584 -6.280 214 HG11 VAL 34 1HG1 VAL 34 -5.814 6.654 -8.113 215 HG12 VAL 34 2HG1 VAL 34 -6.123 7.662 -6.699 216 HG13 VAL 34 3HG1 VAL 34 -7.088 7.870 -8.160 217 HG21 VAL 34 3HG2 VAL 34 -8.779 6.474 -8.772 218 HG22 VAL 34 1HG2 VAL 34 -9.291 5.086 -7.811 219 HG23 VAL 34 2HG2 VAL 34 -7.848 4.976 -8.819 220 H CYS 35 H CYS 35 -7.863 5.086 -4.066 221 HA CYS 35 HA CYS 35 -5.888 6.735 -2.808 222 HB2 CYS 35 2HB CYS 35 -8.174 5.115 -1.652 223 HB3 CYS 35 1HB CYS 35 -7.189 6.263 -0.739 224 H TYR 36 H TYR 36 -6.570 3.264 -2.859 225 HA TYR 36 HA TYR 36 -4.875 2.425 -0.799 226 HB2 TYR 36 2HB TYR 36 -6.509 0.926 -1.764 227 HB3 TYR 36 1HB TYR 36 -5.710 0.997 -3.335 228 HD1 TYR 36 1HD TYR 36 -4.427 0.462 0.176 229 HD2 TYR 36 2HD TYR 36 -4.753 -1.066 -3.821 230 HE1 TYR 36 1HE TYR 36 -3.008 -1.472 0.803 231 HE2 TYR 36 2HE TYR 36 -3.333 -3.000 -3.196 232 HH TYR 36 HH TYR 36 -1.507 -3.427 -1.370 233 H LYS 37 H LYS 37 -4.091 3.286 -4.121 234 HA LYS 37 HA LYS 37 -1.396 2.258 -4.007 235 HB2 LYS 37 2HB LYS 37 -2.945 2.722 -6.095 236 HB3 LYS 37 1HB LYS 37 -2.258 4.342 -5.986 237 HG2 LYS 37 2HG LYS 37 0.037 3.135 -5.850 238 HG3 LYS 37 1HG LYS 37 -0.831 1.726 -6.462 239 HD2 LYS 37 2HD LYS 37 -1.413 2.826 -8.485 240 HD3 LYS 37 1HD LYS 37 -1.000 4.415 -7.834 241 HE2 LYS 37 2HE LYS 37 1.391 3.611 -7.639 242 HE3 LYS 37 1HE LYS 37 0.909 2.169 -8.533 243 HZ1 LYS 37 3HZ LYS 37 1.841 3.939 -9.949 244 HZ2 LYS 37 1HZ LYS 37 0.549 4.946 -9.510 245 HZ3 LYS 37 2HZ LYS 37 0.251 3.518 -10.378 246 H GLU 38 H GLU 38 -2.954 5.427 -3.820 247 HA GLU 38 HA GLU 38 -0.717 7.068 -3.682 248 HB2 GLU 38 2HB GLU 38 -3.393 7.419 -2.322 249 HB3 GLU 38 1HB GLU 38 -2.196 8.693 -2.543 250 HG2 GLU 38 2HG GLU 38 -3.146 7.110 -4.919 251 HG3 GLU 38 1HG GLU 38 -4.125 8.442 -4.299 252 H HIS 39 H HIS 39 -2.346 5.358 -0.980 253 HA HIS 39 HA HIS 39 -0.497 6.587 0.903 254 HB2 HIS 39 2HB HIS 39 -1.771 5.675 2.652 255 HB3 HIS 39 1HB HIS 39 -2.930 6.161 1.424 256 HD1 HIS 39 1HD HIS 39 -4.725 4.495 1.177 257 HD2 HIS 39 2HD HIS 39 -1.125 2.654 2.163 258 HE1 HIS 39 1HE HIS 39 -5.247 2.046 1.526 259 HE2 HIS 39 2HE HIS 39 -3.051 0.900 2.082 260 H LEU 40 H LEU 40 -0.853 3.464 -0.664 261 HA LEU 40 HA LEU 40 0.926 1.961 0.933 262 HB2 LEU 40 2HB LEU 40 -0.624 1.076 -0.857 263 HB3 LEU 40 1HB LEU 40 0.543 1.649 -2.050 264 HG LEU 40 HG LEU 40 2.278 0.293 -0.657 265 HD11 LEU 40 1HD1 LEU 40 1.258 -1.683 0.463 266 HD12 LEU 40 2HD1 LEU 40 -0.339 -0.981 0.205 267 HD13 LEU 40 3HD1 LEU 40 0.821 -0.173 1.259 268 HD21 LEU 40 3HD2 LEU 40 1.833 -1.678 -2.010 269 HD22 LEU 40 1HD2 LEU 40 1.421 -0.250 -2.962 270 HD23 LEU 40 2HD2 LEU 40 0.145 -1.210 -2.209 271 H GLN 41 H GLN 41 1.521 4.295 -1.620 272 HA GLN 41 HA GLN 41 4.254 3.635 -2.113 273 HB2 GLN 41 2HB GLN 41 2.571 5.133 -3.482 274 HB3 GLN 41 1HB GLN 41 3.204 6.422 -2.463 275 HG2 GLN 41 2HG GLN 41 5.532 5.700 -3.136 276 HG3 GLN 41 1HG GLN 41 4.786 4.605 -4.302 277 HE21 GLN 41 1HE2 GLN 41 6.114 7.665 -4.057 278 HE22 GLN 41 2HE2 GLN 41 5.300 8.419 -5.353 279 H ARG 42 H ARG 42 2.627 5.778 0.166 280 HA ARG 42 HA ARG 42 4.983 7.108 1.091 281 HB2 ARG 42 2HB ARG 42 2.201 6.814 2.217 282 HB3 ARG 42 1HB ARG 42 3.461 7.738 3.032 283 HG2 ARG 42 2HG ARG 42 3.161 8.385 0.158 284 HG3 ARG 42 1HG ARG 42 1.736 8.748 1.127 285 HD2 ARG 42 2HD ARG 42 4.493 9.621 2.001 286 HD3 ARG 42 1HD ARG 42 3.521 10.598 0.908 287 HE ARG 42 HE ARG 42 3.072 10.205 3.738 288 HH11 ARG 42 1HH2 ARG 42 1.564 11.088 0.678 289 HH12 ARG 42 2HH2 ARG 42 0.286 11.962 1.445 290 HH21 ARG 42 1HH1 ARG 42 1.382 11.351 4.671 291 HH22 ARG 42 2HH1 ARG 42 0.183 12.113 3.679 292 H GLN 43 H GLN 43 3.360 4.118 1.991 293 HA GLN 43 HA GLN 43 4.745 3.825 4.503 294 HB2 GLN 43 2HB GLN 43 3.141 1.881 2.835 295 HB3 GLN 43 1HB GLN 43 3.815 1.500 4.421 296 HG2 GLN 43 2HG GLN 43 2.589 3.726 5.140 297 HG3 GLN 43 1HG GLN 43 1.614 3.411 3.707 298 HE21 GLN 43 1HE2 GLN 43 0.863 0.934 3.622 299 HE22 GLN 43 2HE2 GLN 43 0.284 0.318 5.092 300 H GLN 44 H GLN 44 5.315 2.826 1.177 301 HA GLN 44 HA GLN 44 7.390 0.938 1.832 302 HB2 GLN 44 2HB GLN 44 6.162 2.035 -0.648 303 HB3 GLN 44 1HB GLN 44 7.816 1.449 -0.792 304 HG2 GLN 44 2HG GLN 44 6.972 -0.664 0.430 305 HG3 GLN 44 1HG GLN 44 5.355 -0.080 0.046 306 HE21 GLN 44 1HE2 GLN 44 4.704 -1.415 -1.663 307 HE22 GLN 44 2HE2 GLN 44 5.597 -1.633 -3.097 308 H ASN 45 H ASN 45 7.314 4.226 0.460 309 HA ASN 45 HA ASN 45 10.107 4.569 0.240 310 HB2 ASN 45 2HB ASN 45 7.807 6.499 0.437 311 HB3 ASN 45 1HB ASN 45 9.472 7.064 0.347 312 HD21 ASN 45 1HD2 ASN 45 6.869 5.544 -1.491 313 HD22 ASN 45 2HD2 ASN 45 7.682 5.553 -2.990 314 H SER 46 H SER 46 8.088 4.552 3.051 315 HA SER 46 HA SER 46 9.415 6.344 4.743 316 HB2 SER 46 2HB SER 46 7.814 3.850 5.231 317 HB3 SER 46 1HB SER 46 8.586 4.690 6.573 318 HG SER 46 HG SER 46 6.470 5.453 4.937 319 H GLY 47 H GLY 47 9.839 2.785 4.656 320 HA2 GLY 47 2HA GLY 47 12.371 2.234 4.410 321 HA3 GLY 47 1HA GLY 47 12.478 3.117 5.931 322 H ARG 48 H ARG 48 10.653 0.432 4.429 323 HA ARG 48 HA ARG 48 9.714 -0.766 6.788 324 HB2 ARG 48 2HB ARG 48 9.078 -1.271 4.357 325 HB3 ARG 48 1HB ARG 48 10.493 -2.322 4.330 326 HG2 ARG 48 2HG ARG 48 9.422 -3.273 6.566 327 HG3 ARG 48 1HG ARG 48 7.939 -2.614 5.876 328 HD2 ARG 48 2HD ARG 48 8.373 -3.877 3.784 329 HD3 ARG 48 1HD ARG 48 9.811 -4.572 4.520 330 HE ARG 48 HE ARG 48 7.560 -5.069 6.177 331 HH11 ARG 48 1HH2 ARG 48 8.933 -6.077 3.095 332 HH12 ARG 48 2HH2 ARG 48 8.219 -7.649 3.175 333 HH21 ARG 48 1HH1 ARG 48 6.653 -7.123 6.215 334 HH22 ARG 48 2HH1 ARG 48 6.943 -8.237 4.919 335 H MET 49 H MET 49 12.803 -1.130 5.105 336 HA MET 49 HA MET 49 13.706 -3.253 6.868 337 HB2 MET 49 2HB MET 49 14.723 -1.886 4.435 338 HB3 MET 49 1HB MET 49 15.964 -2.428 5.562 339 HG2 MET 49 2HG MET 49 14.648 -4.675 5.577 340 HG3 MET 49 1HG MET 49 13.906 -4.072 4.096 341 HE1 MET 49 3HE MET 49 18.229 -4.544 5.153 342 HE2 MET 49 1HE MET 49 17.392 -6.102 5.175 343 HE3 MET 49 2HE MET 49 16.776 -4.754 6.127 344 H SER 50 H SER 50 14.564 0.162 6.276 345 HA SER 50 HA SER 50 15.375 0.405 9.085 346 HB2 SER 50 2HB SER 50 17.444 1.684 8.259 347 HB3 SER 50 1HB SER 50 17.493 -0.074 8.156 348 HG SER 50 HG SER 50 17.040 0.060 5.990 349 HA PRO 51 HA PRO 51 12.744 3.998 7.800 350 HB2 PRO 51 2HB PRO 51 12.733 4.373 10.756 351 HB3 PRO 51 1HB PRO 51 11.377 4.357 9.614 352 HG2 PRO 51 2HG PRO 51 11.845 2.324 11.269 353 HG3 PRO 51 1HG PRO 51 11.217 2.073 9.631 354 HD2 PRO 51 2HD PRO 51 13.978 1.599 10.683 355 HD3 PRO 51 1HD PRO 51 13.074 0.709 9.437 356 H MET 52 H MET 52 14.797 4.351 10.715 357 HA MET 52 HA MET 52 16.140 6.658 9.424 358 HB2 MET 52 2HB MET 52 15.068 6.361 12.225 359 HB3 MET 52 1HB MET 52 16.380 7.481 11.865 360 HG2 MET 52 2HG MET 52 14.548 8.872 11.545 361 HG3 MET 52 1HG MET 52 14.775 8.257 9.909 362 HE1 MET 52 3HE MET 52 10.975 8.409 9.960 363 HE2 MET 52 1HE MET 52 12.508 8.943 9.256 364 HE3 MET 52 2HE MET 52 12.010 9.532 10.838 365 H GLY 53 H GLY 53 16.400 4.240 12.044 366 HA2 GLY 53 2HA GLY 53 18.552 2.829 11.541 367 HA3 GLY 53 1HA GLY 53 19.331 4.372 11.878 368 H THR 54 H THR 54 17.506 5.233 13.923 369 HA THR 54 HA THR 54 17.904 3.220 16.048 370 HB THR 54 HB THR 54 19.752 4.766 16.288 371 HG1 THR 54 1HG THR 54 19.269 5.499 18.358 372 HG21 THR 54 3HG2 THR 54 19.088 6.699 15.089 373 HG22 THR 54 1HG2 THR 54 19.149 7.226 16.771 374 HG23 THR 54 2HG2 THR 54 17.597 6.862 16.017 375 H ALA 55 H ALA 55 16.412 3.279 17.746 376 HA ALA 55 HA ALA 55 14.233 5.237 17.619 377 HB1 ALA 55 1HB ALA 55 13.608 3.267 16.176 378 HB2 ALA 55 2HB ALA 55 12.505 3.569 17.519 379 HB3 ALA 55 3HB ALA 55 13.685 2.263 17.623 380 H SER 56 H SER 56 13.094 5.469 19.569 381 HA SER 56 HA SER 56 13.816 3.786 21.845 382 HB2 SER 56 2HB SER 56 14.260 6.773 21.955 383 HB3 SER 56 1HB SER 56 14.628 5.592 23.208 384 HG SER 56 HG SER 56 16.433 6.265 21.846 385 H GLY 57 H GLY 57 12.401 4.045 23.648 386 HA2 GLY 57 2HA GLY 57 10.559 5.376 24.657 387 HA3 GLY 57 1HA GLY 57 9.900 5.520 23.031 388 H SER 58 H SER 58 10.833 3.081 25.461 389 HA SER 58 HA SER 58 8.810 1.239 24.347 390 HB2 SER 58 2HB SER 58 11.162 0.757 26.190 391 HB3 SER 58 1HB SER 58 9.991 -0.477 25.732 392 HG SER 58 HG SER 58 11.755 -0.546 24.334 393 H ASN 59 H ASN 59 8.046 3.535 25.935 394 HA ASN 59 HA ASN 59 7.517 2.758 28.635 395 HB2 ASN 59 2HB ASN 59 5.968 4.717 28.631 396 HB3 ASN 59 1HB ASN 59 7.594 5.110 28.079 397 HD21 ASN 59 1HD2 ASN 59 7.712 6.199 26.103 398 HD22 ASN 59 2HD2 ASN 59 6.460 6.266 24.959 399 H SER 60 H SER 60 5.589 2.063 29.581 400 HA SER 60 HA SER 60 3.894 0.462 27.834 401 HB2 SER 60 2HB SER 60 2.865 -0.171 30.114 402 HB3 SER 60 1HB SER 60 4.516 -0.689 29.790 403 HG SER 60 HG SER 60 5.201 0.604 31.308 404 HA PRO 61 HA PRO 61 0.506 3.317 27.772 405 HB2 PRO 61 2HB PRO 61 -1.681 1.693 27.738 406 HB3 PRO 61 1HB PRO 61 -0.578 1.852 26.355 407 HG2 PRO 61 2HG PRO 61 -0.742 -0.298 28.409 408 HG3 PRO 61 1HG PRO 61 -0.457 -0.419 26.663 409 HD2 PRO 61 2HD PRO 61 1.551 -0.571 28.534 410 HD3 PRO 61 1HD PRO 61 1.803 -0.004 26.870 411 H THR 62 H THR 62 -0.012 4.593 29.453 412 HA THR 62 HA THR 62 -0.645 5.330 31.526 413 HB THR 62 HB THR 62 -2.766 4.480 32.362 414 HG1 THR 62 1HG THR 62 -2.869 2.383 32.185 415 HG21 THR 62 3HG2 THR 62 -2.915 5.946 30.447 416 HG22 THR 62 1HG2 THR 62 -4.099 4.655 30.239 417 HG23 THR 62 2HG2 THR 62 -2.581 4.613 29.342 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -36.624 -7.861 26.253 2 H2 GLY 1 2HT GLY 1 -35.572 -9.014 26.924 3 H3 GLY 1 3HT GLY 1 -37.086 -8.724 27.638 4 HA2 GLY 1 2HA GLY 1 -37.308 -10.736 26.458 5 HA3 GLY 1 1HA GLY 1 -38.133 -9.495 25.514 6 H SER 2 H SER 2 -37.647 -9.450 23.409 7 HA SER 2 HA SER 2 -35.363 -10.942 22.410 8 HB2 SER 2 2HB SER 2 -37.311 -9.316 20.780 9 HB3 SER 2 1HB SER 2 -36.330 -10.684 20.260 10 HG SER 2 HG SER 2 -38.517 -11.256 20.694 11 H MET 3 H MET 3 -33.997 -9.954 20.667 12 HA MET 3 HA MET 3 -32.818 -7.512 21.648 13 HB2 MET 3 2HB MET 3 -31.218 -7.828 19.753 14 HB3 MET 3 1HB MET 3 -31.343 -9.235 20.805 15 HG2 MET 3 2HG MET 3 -32.571 -10.469 19.227 16 HG3 MET 3 1HG MET 3 -33.071 -9.025 18.346 17 HE1 MET 3 3HE MET 3 -30.689 -11.510 16.231 18 HE2 MET 3 1HE MET 3 -32.329 -11.324 16.868 19 HE3 MET 3 2HE MET 3 -31.074 -12.064 17.859 20 H ALA 4 H ALA 4 -32.792 -5.499 20.703 21 HA ALA 4 HA ALA 4 -34.383 -5.085 18.256 22 HB1 ALA 4 1HB ALA 4 -35.811 -4.639 20.267 23 HB2 ALA 4 2HB ALA 4 -35.572 -3.224 19.241 24 HB3 ALA 4 3HB ALA 4 -34.666 -3.386 20.745 25 H GLN 5 H GLN 5 -32.596 -3.171 20.703 26 HA GLN 5 HA GLN 5 -31.235 -1.753 18.499 27 HB2 GLN 5 2HB GLN 5 -32.540 -0.522 20.352 28 HB3 GLN 5 1HB GLN 5 -31.181 -0.936 21.398 29 HG2 GLN 5 2HG GLN 5 -29.643 0.290 20.073 30 HG3 GLN 5 1HG GLN 5 -30.766 0.389 18.718 31 HE21 GLN 5 1HE2 GLN 5 -29.519 2.198 21.254 32 HE22 GLN 5 2HE2 GLN 5 -30.781 3.337 21.405 33 H GLU 6 H GLU 6 -30.459 -4.445 19.310 34 HA GLU 6 HA GLU 6 -28.028 -4.201 20.871 35 HB2 GLU 6 2HB GLU 6 -29.369 -6.465 19.400 36 HB3 GLU 6 1HB GLU 6 -27.755 -6.637 20.087 37 HG2 GLU 6 2HG GLU 6 -30.011 -5.569 21.766 38 HG3 GLU 6 1HG GLU 6 -29.813 -7.305 21.542 39 H THR 7 H THR 7 -28.922 -4.701 17.473 40 HA THR 7 HA THR 7 -26.215 -4.913 16.549 41 HB THR 7 HB THR 7 -27.285 -4.652 14.284 42 HG1 THR 7 1HG THR 7 -29.401 -4.297 14.164 43 HG21 THR 7 3HG2 THR 7 -28.619 -6.660 16.120 44 HG22 THR 7 1HG2 THR 7 -26.998 -6.847 15.454 45 HG23 THR 7 2HG2 THR 7 -28.395 -6.816 14.378 46 H ASN 8 H ASN 8 -24.900 -3.225 16.845 47 HA ASN 8 HA ASN 8 -25.867 -0.510 16.181 48 HB2 ASN 8 2HB ASN 8 -23.857 0.254 17.469 49 HB3 ASN 8 1HB ASN 8 -25.023 -0.641 18.439 50 HD21 ASN 8 1HD2 ASN 8 -24.324 -2.593 19.422 51 HD22 ASN 8 2HD2 ASN 8 -22.759 -3.239 19.218 52 H GLN 9 H GLN 9 -23.247 -2.827 15.632 53 HA GLN 9 HA GLN 9 -22.035 -1.080 13.616 54 HB2 GLN 9 2HB GLN 9 -20.278 -2.846 13.511 55 HB3 GLN 9 1HB GLN 9 -20.496 -2.187 15.131 56 HG2 GLN 9 2HG GLN 9 -21.624 -4.114 15.895 57 HG3 GLN 9 1HG GLN 9 -21.984 -4.663 14.258 58 HE21 GLN 9 1HE2 GLN 9 -20.486 -6.068 13.276 59 HE22 GLN 9 2HE2 GLN 9 -18.975 -6.471 13.957 60 H THR 10 H THR 10 -21.460 -1.987 11.485 61 HA THR 10 HA THR 10 -22.968 -4.260 10.516 62 HB THR 10 HB THR 10 -24.712 -2.587 10.356 63 HG1 THR 10 1HG THR 10 -25.162 -3.287 8.445 64 HG21 THR 10 3HG2 THR 10 -24.456 -0.446 9.509 65 HG22 THR 10 1HG2 THR 10 -23.092 -0.901 8.487 66 HG23 THR 10 2HG2 THR 10 -22.861 -0.691 10.222 67 HA PRO 11 HA PRO 11 -19.054 -3.613 8.213 68 HB2 PRO 11 2HB PRO 11 -18.281 -6.214 8.072 69 HB3 PRO 11 1HB PRO 11 -18.029 -5.219 9.519 70 HG2 PRO 11 2HG PRO 11 -20.041 -7.325 9.001 71 HG3 PRO 11 1HG PRO 11 -19.232 -6.877 10.509 72 HD2 PRO 11 2HD PRO 11 -21.837 -6.130 9.776 73 HD3 PRO 11 1HD PRO 11 -20.868 -5.381 11.061 74 H GLY 12 H GLY 12 -19.370 -3.177 6.099 75 HA2 GLY 12 2HA GLY 12 -19.816 -5.197 4.159 76 HA3 GLY 12 1HA GLY 12 -21.308 -4.297 4.430 77 HA PRO 13 HA PRO 13 -19.716 -1.046 1.862 78 HB2 PRO 13 2HB PRO 13 -20.438 1.284 3.028 79 HB3 PRO 13 1HB PRO 13 -21.640 0.133 2.407 80 HG2 PRO 13 2HG PRO 13 -20.776 0.645 5.203 81 HG3 PRO 13 1HG PRO 13 -22.389 0.273 4.564 82 HD2 PRO 13 2HD PRO 13 -20.693 -1.578 5.784 83 HD3 PRO 13 1HD PRO 13 -22.051 -1.991 4.710 84 H MET 14 H MET 14 -17.443 -1.580 2.186 85 HA MET 14 HA MET 14 -15.861 -0.302 4.194 86 HB2 MET 14 2HB MET 14 -15.310 -1.941 1.747 87 HB3 MET 14 1HB MET 14 -13.985 -1.036 2.474 88 HG2 MET 14 2HG MET 14 -15.742 -2.679 4.266 89 HG3 MET 14 1HG MET 14 -14.553 -3.511 3.273 90 HE1 MET 14 3HE MET 14 -14.775 -0.408 6.018 91 HE2 MET 14 1HE MET 14 -14.109 -1.574 7.171 92 HE3 MET 14 2HE MET 14 -15.522 -1.991 6.204 93 H LEU 15 H LEU 15 -16.541 1.923 3.937 94 HA LEU 15 HA LEU 15 -15.901 3.347 1.504 95 HB2 LEU 15 2HB LEU 15 -17.477 3.822 3.826 96 HB3 LEU 15 1HB LEU 15 -16.265 5.100 3.789 97 HG LEU 15 HG LEU 15 -16.901 5.456 1.346 98 HD11 LEU 15 1HD1 LEU 15 -19.130 3.597 2.211 99 HD12 LEU 15 2HD1 LEU 15 -18.012 3.369 0.865 100 HD13 LEU 15 3HD1 LEU 15 -19.235 4.640 0.791 101 HD21 LEU 15 3HD2 LEU 15 -18.859 6.800 1.923 102 HD22 LEU 15 1HD2 LEU 15 -17.686 6.896 3.236 103 HD23 LEU 15 2HD2 LEU 15 -19.104 5.861 3.394 104 H CYS 16 H CYS 16 -14.201 4.802 1.180 105 HA CYS 16 HA CYS 16 -11.676 4.178 1.899 106 HB2 CYS 16 2HB CYS 16 -12.597 5.994 0.291 107 HB3 CYS 16 1HB CYS 16 -12.398 7.081 1.665 108 H SER 17 H SER 17 -10.642 3.999 3.749 109 HA SER 17 HA SER 17 -11.453 4.982 6.250 110 HB2 SER 17 2HB SER 17 -9.000 3.732 5.162 111 HB3 SER 17 1HB SER 17 -8.790 4.650 6.654 112 HG SER 17 HG SER 17 -10.377 3.400 7.608 113 H THR 18 H THR 18 -9.674 6.594 3.706 114 HA THR 18 HA THR 18 -8.571 8.635 5.429 115 HB THR 18 HB THR 18 -7.741 9.660 3.393 116 HG1 THR 18 1HG THR 18 -8.688 9.325 1.563 117 HG21 THR 18 3HG2 THR 18 -6.846 7.352 4.362 118 HG22 THR 18 1HG2 THR 18 -6.199 8.015 2.859 119 HG23 THR 18 2HG2 THR 18 -7.414 6.739 2.808 120 H GLY 19 H GLY 19 -11.675 8.167 4.037 121 HA2 GLY 19 2HA GLY 19 -13.545 9.501 4.254 122 HA3 GLY 19 1HA GLY 19 -12.533 10.759 4.963 123 H CYS 20 H CYS 20 -12.294 9.203 1.747 124 HA CYS 20 HA CYS 20 -12.217 11.866 0.560 125 HB2 CYS 20 2HB CYS 20 -11.241 10.931 -1.337 126 HB3 CYS 20 1HB CYS 20 -10.592 9.963 -0.019 127 H GLY 21 H GLY 21 -14.610 9.476 1.106 128 HA2 GLY 21 2HA GLY 21 -16.901 9.843 0.764 129 HA3 GLY 21 1HA GLY 21 -16.508 11.043 -0.459 130 H PHE 22 H PHE 22 -14.720 8.258 -1.121 131 HA PHE 22 HA PHE 22 -16.706 7.384 -3.112 132 HB2 PHE 22 2HB PHE 22 -13.689 7.303 -3.082 133 HB3 PHE 22 1HB PHE 22 -14.627 6.344 -4.219 134 HD1 PHE 22 1HD PHE 22 -16.723 7.842 -5.252 135 HD2 PHE 22 2HD PHE 22 -12.898 9.310 -3.954 136 HE1 PHE 22 1HE PHE 22 -16.984 9.820 -6.720 137 HE2 PHE 22 2HE PHE 22 -13.167 11.293 -5.416 138 HZ PHE 22 HZ PHE 22 -15.208 11.543 -6.794 139 H TYR 23 H TYR 23 -15.753 4.878 -3.745 140 HA TYR 23 HA TYR 23 -16.457 3.379 -1.318 141 HB2 TYR 23 2HB TYR 23 -17.593 3.123 -3.650 142 HB3 TYR 23 1HB TYR 23 -16.163 2.168 -4.052 143 HD1 TYR 23 1HD TYR 23 -18.720 2.526 -1.324 144 HD2 TYR 23 2HD TYR 23 -16.156 -0.102 -3.555 145 HE1 TYR 23 1HE TYR 23 -19.671 0.577 -0.123 146 HE2 TYR 23 2HE TYR 23 -17.107 -2.051 -2.356 147 HH TYR 23 HH TYR 23 -18.336 -2.234 0.159 148 H GLY 24 H GLY 24 -15.206 1.806 -0.410 149 HA2 GLY 24 2HA GLY 24 -12.446 1.497 -1.459 150 HA3 GLY 24 1HA GLY 24 -12.842 1.506 0.262 151 H ASN 25 H ASN 25 -11.424 -0.634 -0.601 152 HA ASN 25 HA ASN 25 -13.432 -2.810 -0.796 153 HB2 ASN 25 2HB ASN 25 -11.668 -2.280 -2.733 154 HB3 ASN 25 1HB ASN 25 -10.622 -3.253 -1.708 155 HD21 ASN 25 1HD2 ASN 25 -13.979 -3.379 -3.062 156 HD22 ASN 25 2HD2 ASN 25 -13.943 -5.058 -3.359 157 HA PRO 26 HA PRO 26 -11.545 -4.196 2.997 158 HB2 PRO 26 2HB PRO 26 -12.585 -6.706 3.177 159 HB3 PRO 26 1HB PRO 26 -13.499 -5.225 3.505 160 HG2 PRO 26 2HG PRO 26 -13.582 -7.011 1.154 161 HG3 PRO 26 1HG PRO 26 -14.860 -6.020 1.870 162 HD2 PRO 26 2HD PRO 26 -13.373 -5.371 -0.427 163 HD3 PRO 26 1HD PRO 26 -14.385 -4.252 0.509 164 H ARG 27 H ARG 27 -11.025 -5.921 -0.011 165 HA ARG 27 HA ARG 27 -9.042 -7.752 1.002 166 HB2 ARG 27 2HB ARG 27 -9.968 -6.884 -1.721 167 HB3 ARG 27 1HB ARG 27 -8.460 -7.782 -1.557 168 HG2 ARG 27 2HG ARG 27 -9.979 -9.523 -1.813 169 HG3 ARG 27 1HG ARG 27 -9.930 -9.386 -0.055 170 HD2 ARG 27 2HD ARG 27 -11.902 -7.811 -0.217 171 HD3 ARG 27 1HD ARG 27 -12.010 -8.229 -1.926 172 HE ARG 27 HE ARG 27 -11.992 -10.542 -0.199 173 HH11 ARG 27 1HH2 ARG 27 -14.054 -8.057 -1.598 174 HH12 ARG 27 2HH2 ARG 27 -15.477 -9.029 -1.483 175 HH21 ARG 27 1HH1 ARG 27 -13.882 -11.746 -0.066 176 HH22 ARG 27 2HH1 ARG 27 -15.384 -11.093 -0.635 177 H THR 28 H THR 28 -9.129 -4.531 -0.392 178 HA THR 28 HA THR 28 -6.264 -4.263 -0.632 179 HB THR 28 HB THR 28 -6.770 -1.907 -1.150 180 HG1 THR 28 1HG THR 28 -8.429 -1.124 -0.157 181 HG21 THR 28 3HG2 THR 28 -8.464 -4.049 -2.414 182 HG22 THR 28 1HG2 THR 28 -7.044 -3.232 -3.062 183 HG23 THR 28 2HG2 THR 28 -8.584 -2.380 -2.962 184 H ASN 29 H ASN 29 -6.059 -1.631 0.687 185 HA ASN 29 HA ASN 29 -5.794 -2.611 3.438 186 HB2 ASN 29 2HB ASN 29 -4.543 -0.442 1.827 187 HB3 ASN 29 1HB ASN 29 -4.717 -0.138 3.557 188 HD21 ASN 29 1HD2 ASN 29 -3.788 -2.997 1.530 189 HD22 ASN 29 2HD2 ASN 29 -2.425 -3.393 2.479 190 H GLY 30 H GLY 30 -8.496 -1.833 2.260 191 HA2 GLY 30 2HA GLY 30 -10.390 -1.036 3.328 192 HA3 GLY 30 1HA GLY 30 -9.358 -0.238 4.511 193 H MET 31 H MET 31 -8.428 0.420 1.258 194 HA MET 31 HA MET 31 -9.891 2.993 1.301 195 HB2 MET 31 2HB MET 31 -7.002 2.380 0.762 196 HB3 MET 31 1HB MET 31 -7.760 3.803 0.045 197 HG2 MET 31 2HG MET 31 -6.918 4.634 2.049 198 HG3 MET 31 1HG MET 31 -8.589 4.284 2.473 199 HE1 MET 31 3HE MET 31 -5.653 4.659 3.599 200 HE2 MET 31 1HE MET 31 -4.734 3.162 3.784 201 HE3 MET 31 2HE MET 31 -5.688 3.787 5.126 202 H CYS 32 H CYS 32 -9.994 4.045 -0.838 203 HA CYS 32 HA CYS 32 -11.225 2.443 -2.783 204 HB2 CYS 32 2HB CYS 32 -9.870 5.108 -3.244 205 HB3 CYS 32 1HB CYS 32 -11.094 4.377 -4.275 206 H SER 33 H SER 33 -10.391 2.594 -5.214 207 HA SER 33 HA SER 33 -8.042 0.948 -5.349 208 HB2 SER 33 2HB SER 33 -9.456 2.316 -7.646 209 HB3 SER 33 1HB SER 33 -8.429 0.886 -7.717 210 HG SER 33 HG SER 33 -11.068 1.138 -7.028 211 H VAL 34 H VAL 34 -8.816 4.307 -6.185 212 HA VAL 34 HA VAL 34 -6.175 4.948 -7.136 213 HB VAL 34 HB VAL 34 -8.301 6.887 -6.175 214 HG11 VAL 34 1HG1 VAL 34 -6.088 7.866 -6.565 215 HG12 VAL 34 2HG1 VAL 34 -7.204 8.386 -7.827 216 HG13 VAL 34 3HG1 VAL 34 -6.021 7.123 -8.163 217 HG21 VAL 34 3HG2 VAL 34 -8.082 5.281 -8.704 218 HG22 VAL 34 1HG2 VAL 34 -8.690 6.936 -8.809 219 HG23 VAL 34 2HG2 VAL 34 -9.521 5.751 -7.800 220 H CYS 35 H CYS 35 -7.945 5.250 -4.124 221 HA CYS 35 HA CYS 35 -5.965 6.795 -2.747 222 HB2 CYS 35 2HB CYS 35 -8.254 5.116 -1.689 223 HB3 CYS 35 1HB CYS 35 -7.280 6.229 -0.723 224 H TYR 36 H TYR 36 -6.666 3.327 -2.993 225 HA TYR 36 HA TYR 36 -4.974 2.350 -0.996 226 HB2 TYR 36 2HB TYR 36 -6.544 0.883 -2.133 227 HB3 TYR 36 1HB TYR 36 -5.720 1.123 -3.671 228 HD1 TYR 36 2HD TYR 36 -4.380 0.401 -0.221 229 HD2 TYR 36 1HD TYR 36 -4.753 -0.921 -4.293 230 HE1 TYR 36 2HE TYR 36 -2.874 -1.506 0.260 231 HE2 TYR 36 1HE TYR 36 -3.241 -2.828 -3.811 232 HH TYR 36 HH TYR 36 -2.528 -3.893 -0.801 233 H LYS 37 H LYS 37 -4.223 3.311 -4.297 234 HA LYS 37 HA LYS 37 -1.475 2.441 -4.181 235 HB2 LYS 37 2HB LYS 37 -2.884 2.650 -6.292 236 HB3 LYS 37 1HB LYS 37 -2.665 4.397 -6.151 237 HG2 LYS 37 2HG LYS 37 -0.140 3.865 -5.970 238 HG3 LYS 37 1HG LYS 37 -0.570 2.274 -6.601 239 HD2 LYS 37 2HD LYS 37 -1.446 3.210 -8.624 240 HD3 LYS 37 1HD LYS 37 -1.398 4.844 -7.966 241 HE2 LYS 37 2HE LYS 37 1.049 4.768 -7.878 242 HE3 LYS 37 1HE LYS 37 1.036 3.107 -8.472 243 HZ1 LYS 37 3HZ LYS 37 1.452 4.584 -10.289 244 HZ2 LYS 37 1HZ LYS 37 0.086 5.520 -9.920 245 HZ3 LYS 37 2HZ LYS 37 -0.103 3.927 -10.483 246 H GLU 38 H GLU 38 -3.200 5.533 -3.974 247 HA GLU 38 HA GLU 38 -1.042 7.273 -3.818 248 HB2 GLU 38 2HB GLU 38 -3.799 7.423 -2.610 249 HB3 GLU 38 1HB GLU 38 -2.633 8.739 -2.471 250 HG2 GLU 38 2HG GLU 38 -3.299 7.514 -5.144 251 HG3 GLU 38 1HG GLU 38 -4.270 8.824 -4.462 252 H HIS 39 H HIS 39 -2.550 5.417 -1.140 253 HA HIS 39 HA HIS 39 -0.737 6.694 0.751 254 HB2 HIS 39 2HB HIS 39 -1.886 5.628 2.507 255 HB3 HIS 39 1HB HIS 39 -3.122 6.094 1.350 256 HD1 HIS 39 1HD HIS 39 -4.851 4.328 1.244 257 HD2 HIS 39 2HD HIS 39 -1.052 2.675 1.729 258 HE1 HIS 39 1HE HIS 39 -5.165 1.819 1.359 259 HE2 HIS 39 2HE HIS 39 -2.863 0.794 1.639 260 H LEU 40 H LEU 40 -0.933 3.649 -0.967 261 HA LEU 40 HA LEU 40 0.959 2.182 0.519 262 HB2 LEU 40 2HB LEU 40 -0.550 1.288 -1.305 263 HB3 LEU 40 1HB LEU 40 0.579 1.982 -2.474 264 HG LEU 40 HG LEU 40 2.413 0.685 -1.214 265 HD11 LEU 40 1HD1 LEU 40 1.421 0.004 0.799 266 HD12 LEU 40 2HD1 LEU 40 1.322 -1.460 -0.177 267 HD13 LEU 40 3HD1 LEU 40 -0.098 -0.431 0.015 268 HD21 LEU 40 3HD2 LEU 40 1.855 -0.120 -3.362 269 HD22 LEU 40 1HD2 LEU 40 0.231 -0.588 -2.858 270 HD23 LEU 40 2HD2 LEU 40 1.626 -1.526 -2.322 271 H GLN 41 H GLN 41 1.398 4.801 -1.785 272 HA GLN 41 HA GLN 41 4.130 4.292 -2.402 273 HB2 GLN 41 2HB GLN 41 2.149 6.117 -3.230 274 HB3 GLN 41 1HB GLN 41 3.412 7.122 -2.525 275 HG2 GLN 41 2HG GLN 41 5.065 5.762 -3.944 276 HG3 GLN 41 1HG GLN 41 3.649 5.152 -4.806 277 HE21 GLN 41 1HE2 GLN 41 2.383 6.697 -6.083 278 HE22 GLN 41 2HE2 GLN 41 3.035 8.216 -6.507 279 H ARG 42 H ARG 42 2.487 6.166 0.109 280 HA ARG 42 HA ARG 42 4.903 7.331 1.154 281 HB2 ARG 42 2HB ARG 42 2.442 8.170 1.362 282 HB3 ARG 42 1HB ARG 42 2.356 7.057 2.726 283 HG2 ARG 42 2HG ARG 42 4.718 8.898 2.583 284 HG3 ARG 42 1HG ARG 42 3.162 9.594 3.032 285 HD2 ARG 42 2HD ARG 42 3.064 7.505 4.659 286 HD3 ARG 42 1HD ARG 42 4.811 7.556 4.481 287 HE ARG 42 HE ARG 42 3.138 9.511 5.839 288 HH11 ARG 42 1HH2 ARG 42 6.305 8.872 4.429 289 HH12 ARG 42 2HH2 ARG 42 7.071 10.122 5.346 290 HH21 ARG 42 1HH1 ARG 42 4.197 11.126 6.982 291 HH22 ARG 42 2HH1 ARG 42 5.898 11.381 6.772 292 H GLN 43 H GLN 43 2.997 4.443 1.795 293 HA GLN 43 HA GLN 43 4.231 3.778 4.284 294 HB2 GLN 43 2HB GLN 43 2.014 2.901 3.283 295 HB3 GLN 43 1HB GLN 43 3.035 1.763 2.401 296 HG2 GLN 43 2HG GLN 43 4.105 1.233 4.686 297 HG3 GLN 43 1HG GLN 43 2.709 2.056 5.385 298 HE21 GLN 43 1HE2 GLN 43 0.512 1.138 4.766 299 HE22 GLN 43 2HE2 GLN 43 0.403 -0.519 4.407 300 H GLN 44 H GLN 44 4.816 2.804 0.915 301 HA GLN 44 HA GLN 44 6.783 0.858 1.366 302 HB2 GLN 44 2HB GLN 44 5.563 1.652 -0.832 303 HB3 GLN 44 1HB GLN 44 6.998 2.657 -1.016 304 HG2 GLN 44 2HG GLN 44 7.575 0.662 -2.138 305 HG3 GLN 44 1HG GLN 44 8.334 0.481 -0.558 306 HE21 GLN 44 1HE2 GLN 44 6.021 -0.892 -2.748 307 HE22 GLN 44 2HE2 GLN 44 5.460 -2.123 -1.708 308 H ASN 45 H ASN 45 7.019 4.346 1.528 309 HA ASN 45 HA ASN 45 9.808 4.660 1.197 310 HB2 ASN 45 2HB ASN 45 7.612 6.248 2.444 311 HB3 ASN 45 1HB ASN 45 9.260 6.675 2.889 312 HD21 ASN 45 1HD2 ASN 45 7.945 5.530 -0.271 313 HD22 ASN 45 2HD2 ASN 45 8.480 6.894 -1.144 314 H SER 46 H SER 46 7.998 3.256 3.809 315 HA SER 46 HA SER 46 9.672 3.760 6.006 316 HB2 SER 46 2HB SER 46 7.382 2.681 6.051 317 HB3 SER 46 1HB SER 46 8.153 1.191 5.510 318 HG SER 46 HG SER 46 8.011 1.279 7.781 319 H GLY 47 H GLY 47 9.880 1.327 3.447 320 HA2 GLY 47 2HA GLY 47 12.018 0.507 2.709 321 HA3 GLY 47 1HA GLY 47 12.615 0.674 4.358 322 H ARG 48 H ARG 48 10.481 -0.545 5.739 323 HA ARG 48 HA ARG 48 11.143 -3.319 5.316 324 HB2 ARG 48 2HB ARG 48 10.700 -2.068 7.560 325 HB3 ARG 48 1HB ARG 48 9.001 -2.368 7.194 326 HG2 ARG 48 2HG ARG 48 9.565 -4.276 8.421 327 HG3 ARG 48 1HG ARG 48 9.805 -4.829 6.764 328 HD2 ARG 48 2HD ARG 48 12.239 -4.066 7.026 329 HD3 ARG 48 1HD ARG 48 11.904 -3.944 8.750 330 HE ARG 48 HE ARG 48 11.062 -6.465 8.110 331 HH11 ARG 48 1HH2 ARG 48 14.094 -4.745 7.613 332 HH12 ARG 48 2HH2 ARG 48 15.043 -6.185 7.710 333 HH21 ARG 48 1HH1 ARG 48 12.358 -8.299 8.234 334 HH22 ARG 48 2HH1 ARG 48 14.076 -8.172 8.059 335 H MET 49 H MET 49 9.957 -4.872 4.350 336 HA MET 49 HA MET 49 7.470 -4.066 3.012 337 HB2 MET 49 2HB MET 49 9.452 -6.295 2.630 338 HB3 MET 49 1HB MET 49 7.832 -6.412 1.941 339 HG2 MET 49 2HG MET 49 8.148 -4.424 0.637 340 HG3 MET 49 1HG MET 49 9.634 -4.022 1.496 341 HE1 MET 49 3HE MET 49 12.011 -4.530 -0.053 342 HE2 MET 49 1HE MET 49 10.614 -3.520 -0.445 343 HE3 MET 49 2HE MET 49 11.303 -4.589 -1.665 344 H SER 50 H SER 50 5.691 -5.707 2.931 345 HA SER 50 HA SER 50 5.529 -7.673 5.031 346 HB2 SER 50 2HB SER 50 5.086 -5.355 6.110 347 HB3 SER 50 1HB SER 50 3.546 -5.427 5.259 348 HG SER 50 HG SER 50 2.923 -6.667 6.830 349 HA PRO 51 HA PRO 51 2.786 -8.573 1.438 350 HB2 PRO 51 2HB PRO 51 3.131 -11.278 1.447 351 HB3 PRO 51 1HB PRO 51 4.278 -10.162 0.684 352 HG2 PRO 51 2HG PRO 51 4.441 -11.532 3.320 353 HG3 PRO 51 1HG PRO 51 5.711 -11.234 2.122 354 HD2 PRO 51 2HD PRO 51 5.392 -9.715 4.388 355 HD3 PRO 51 1HD PRO 51 6.118 -9.099 2.889 356 H MET 52 H MET 52 2.909 -10.255 4.566 357 HA MET 52 HA MET 52 0.069 -10.970 4.353 358 HB2 MET 52 2HB MET 52 2.342 -12.188 5.560 359 HB3 MET 52 1HB MET 52 1.262 -11.741 6.876 360 HG2 MET 52 2HG MET 52 0.509 -13.887 6.259 361 HG3 MET 52 1HG MET 52 -0.606 -12.812 5.415 362 HE1 MET 52 3HE MET 52 -1.308 -13.301 3.242 363 HE2 MET 52 1HE MET 52 -1.210 -14.938 3.905 364 HE3 MET 52 2HE MET 52 -0.654 -14.613 2.266 365 H GLY 53 H GLY 53 -0.907 -10.864 6.815 366 HA2 GLY 53 2HA GLY 53 -0.685 -9.165 8.751 367 HA3 GLY 53 1HA GLY 53 -0.872 -7.981 7.460 368 H THR 54 H THR 54 -2.809 -8.906 5.879 369 HA THR 54 HA THR 54 -5.187 -8.546 7.448 370 HB THR 54 HB THR 54 -6.357 -8.774 5.279 371 HG1 THR 54 1HG THR 54 -5.377 -9.640 3.635 372 HG21 THR 54 3HG2 THR 54 -5.200 -6.637 6.024 373 HG22 THR 54 1HG2 THR 54 -5.462 -6.784 4.286 374 HG23 THR 54 2HG2 THR 54 -3.863 -7.090 4.967 375 H ALA 55 H ALA 55 -6.606 -10.031 8.185 376 HA ALA 55 HA ALA 55 -5.870 -12.787 8.261 377 HB1 ALA 55 1HB ALA 55 -8.078 -13.087 9.375 378 HB2 ALA 55 2HB ALA 55 -8.451 -11.400 9.023 379 HB3 ALA 55 3HB ALA 55 -7.114 -11.802 10.103 380 H SER 56 H SER 56 -6.497 -14.474 7.021 381 HA SER 56 HA SER 56 -7.810 -13.944 4.511 382 HB2 SER 56 2HB SER 56 -5.960 -15.592 4.748 383 HB3 SER 56 1HB SER 56 -7.012 -16.595 5.741 384 HG SER 56 HG SER 56 -7.097 -17.258 3.581 385 H GLY 57 H GLY 57 -9.955 -13.710 4.388 386 HA2 GLY 57 2HA GLY 57 -12.168 -14.474 4.403 387 HA3 GLY 57 1HA GLY 57 -11.699 -15.754 5.517 388 H SER 58 H SER 58 -11.466 -12.187 5.633 389 HA SER 58 HA SER 58 -12.252 -12.160 8.417 390 HB2 SER 58 2HB SER 58 -10.575 -10.577 7.318 391 HB3 SER 58 1HB SER 58 -11.964 -9.768 6.597 392 HG SER 58 HG SER 58 -11.201 -8.952 8.695 393 H ASN 59 H ASN 59 -13.652 -11.115 5.319 394 HA ASN 59 HA ASN 59 -16.095 -10.172 6.530 395 HB2 ASN 59 2HB ASN 59 -14.981 -9.408 4.307 396 HB3 ASN 59 1HB ASN 59 -15.783 -10.815 3.611 397 HD21 ASN 59 1HD2 ASN 59 -16.316 -7.611 4.979 398 HD22 ASN 59 2HD2 ASN 59 -17.978 -7.543 4.636 399 H SER 60 H SER 60 -18.160 -11.104 6.347 400 HA SER 60 HA SER 60 -18.307 -13.901 5.435 401 HB2 SER 60 2HB SER 60 -17.911 -13.654 7.990 402 HB3 SER 60 1HB SER 60 -19.578 -13.088 8.039 403 HG SER 60 HG SER 60 -18.886 -15.523 8.131 404 HA PRO 61 HA PRO 61 -21.812 -11.402 3.719 405 HB2 PRO 61 2HB PRO 61 -21.936 -13.735 1.876 406 HB3 PRO 61 1HB PRO 61 -21.894 -12.000 1.506 407 HG2 PRO 61 2HG PRO 61 -19.784 -13.576 1.096 408 HG3 PRO 61 1HG PRO 61 -19.609 -11.894 1.623 409 HD2 PRO 61 2HD PRO 61 -19.316 -14.410 3.223 410 HD3 PRO 61 1HD PRO 61 -18.411 -12.883 3.343 411 H THR 62 H THR 62 -24.107 -11.825 3.635 412 HA THR 62 HA THR 62 -24.954 -13.845 5.540 413 HB THR 62 HB THR 62 -27.204 -12.791 5.200 414 HG1 THR 62 1HG THR 62 -26.997 -12.051 3.121 415 HG21 THR 62 3HG2 THR 62 -25.411 -12.001 6.852 416 HG22 THR 62 1HG2 THR 62 -26.669 -10.834 6.441 417 HG23 THR 62 2HG2 THR 62 -25.074 -10.710 5.700
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