NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19636 | 2eof | 10216 | 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 H GLY 1 -5.345 -0.712 -27.945 2 HA2 GLY 1 1HA GLY 1 -3.817 -2.278 -26.134 3 HA3 GLY 1 2HA GLY 1 -3.253 -0.614 -26.124 4 H SER 2 H SER 2 -3.928 -0.662 -23.864 5 HA SER 2 HA SER 2 -6.826 -0.195 -23.593 6 HB2 SER 2 1HB SER 2 -6.713 -1.063 -21.322 7 HB3 SER 2 2HB SER 2 -6.076 -2.267 -22.442 8 HG SER 2 HG SER 2 -4.283 -0.457 -21.298 9 H SER 3 H SER 3 -7.213 1.064 -21.413 10 HA SER 3 HA SER 3 -5.178 3.064 -20.880 11 HB2 SER 3 1HB SER 3 -6.203 4.149 -22.734 12 HB3 SER 3 2HB SER 3 -7.823 3.727 -22.178 13 HG SER 3 HG SER 3 -7.405 5.101 -20.346 14 H GLY 4 H GLY 4 -5.640 4.360 -19.011 15 HA2 GLY 4 1HA GLY 4 -6.656 4.848 -16.985 16 HA3 GLY 4 2HA GLY 4 -8.009 3.829 -17.456 17 H SER 5 H SER 5 -6.890 3.881 -14.870 18 HA SER 5 HA SER 5 -5.325 1.420 -14.671 19 HB2 SER 5 1HB SER 5 -5.103 2.036 -12.272 20 HB3 SER 5 2HB SER 5 -4.526 3.303 -13.354 21 HG SER 5 HG SER 5 -6.353 4.477 -12.951 22 H SER 6 H SER 6 -6.887 -0.127 -15.168 23 HA SER 6 HA SER 6 -8.785 -0.647 -13.000 24 HB2 SER 6 1HB SER 6 -9.448 -0.222 -15.877 25 HB3 SER 6 2HB SER 6 -10.337 -1.468 -15.000 26 HG SER 6 HG SER 6 -10.640 0.301 -13.373 27 H GLY 7 H GLY 7 -9.040 -2.778 -12.498 28 HA2 GLY 7 1HA GLY 7 -8.192 -4.861 -14.311 29 HA3 GLY 7 2HA GLY 7 -7.120 -4.634 -12.937 30 H THR 8 H THR 8 -7.622 -6.776 -12.261 31 HA THR 8 HA THR 8 -10.181 -6.924 -10.820 32 HB THR 8 HB THR 8 -10.242 -9.384 -11.321 33 HG1 THR 8 HG1 THR 8 -8.435 -8.754 -13.422 34 HG21 THR 8 3HG2 THR 8 -10.610 -8.702 -13.976 35 HG22 THR 8 1HG2 THR 8 -10.844 -7.179 -13.120 36 HG23 THR 8 2HG2 THR 8 -11.818 -8.587 -12.696 37 H GLY 9 H GLY 9 -9.381 -6.612 -8.794 38 HA2 GLY 9 1HA GLY 9 -8.459 -8.610 -7.227 39 HA3 GLY 9 2HA GLY 9 -6.977 -7.954 -7.908 40 H GLU 10 H GLU 10 -9.833 -7.151 -5.993 41 HA GLU 10 HA GLU 10 -8.522 -4.724 -5.024 42 HB2 GLU 10 1HB GLU 10 -11.322 -5.760 -4.993 43 HB3 GLU 10 2HB GLU 10 -10.837 -4.620 -3.746 44 HG2 GLU 10 1HG GLU 10 -10.065 -3.097 -5.588 45 HG3 GLU 10 2HG GLU 10 -10.849 -4.199 -6.719 46 H LYS 11 H LYS 11 -7.793 -4.463 -2.979 47 HA LYS 11 HA LYS 11 -7.982 -6.799 -1.192 48 HB2 LYS 11 1HB LYS 11 -5.796 -4.713 -1.331 49 HB3 LYS 11 2HB LYS 11 -5.834 -6.094 -0.242 50 HG2 LYS 11 1HG LYS 11 -5.888 -6.425 -3.222 51 HG3 LYS 11 2HG LYS 11 -4.379 -6.275 -2.319 52 HD2 LYS 11 1HD LYS 11 -4.595 -8.548 -2.313 53 HD3 LYS 11 2HD LYS 11 -5.501 -8.170 -0.846 54 HE2 LYS 11 1HE LYS 11 -7.519 -8.645 -1.808 55 HE3 LYS 11 2HE LYS 11 -6.976 -8.200 -3.425 56 HZ1 LYS 11 3HZ LYS 11 -6.837 -10.379 -3.780 57 HZ2 LYS 11 1HZ LYS 11 -6.954 -10.759 -2.136 58 HZ3 LYS 11 2HZ LYS 11 -5.453 -10.364 -2.807 59 HA PRO 12 HA PRO 12 -9.992 -4.342 1.843 60 HB2 PRO 12 1HB PRO 12 -9.085 -5.507 4.121 61 HB3 PRO 12 2HB PRO 12 -10.261 -6.278 3.050 62 HG2 PRO 12 1HG PRO 12 -7.306 -6.719 3.250 63 HG3 PRO 12 2HG PRO 12 -8.607 -7.913 3.080 64 HD2 PRO 12 1HD PRO 12 -7.088 -7.105 0.988 65 HD3 PRO 12 2HD PRO 12 -8.790 -7.575 0.807 66 H TYR 13 H TYR 13 -6.648 -4.301 1.424 67 HA TYR 13 HA TYR 13 -6.336 -2.137 3.399 68 HB2 TYR 13 1HB TYR 13 -4.104 -3.778 2.199 69 HB3 TYR 13 2HB TYR 13 -4.012 -2.679 3.570 70 HD1 TYR 13 HD2 TYR 13 -5.011 -3.323 5.741 71 HD2 TYR 13 HD1 TYR 13 -4.861 -6.032 2.463 72 HE1 TYR 13 HE2 TYR 13 -5.444 -5.195 7.276 73 HE2 TYR 13 HE1 TYR 13 -5.295 -7.911 3.989 74 HH TYR 13 HH TYR 13 -5.042 -7.661 7.331 75 H GLU 14 H GLU 14 -6.015 -0.157 2.635 76 HA GLU 14 HA GLU 14 -4.856 0.167 -0.045 77 HB2 GLU 14 1HB GLU 14 -7.475 1.154 0.962 78 HB3 GLU 14 2HB GLU 14 -6.545 2.238 -0.062 79 HG2 GLU 14 1HG GLU 14 -6.376 0.118 -1.600 80 HG3 GLU 14 2HG GLU 14 -7.826 -0.361 -0.719 81 H CYS 15 H CYS 15 -3.452 1.841 -0.276 82 HA CYS 15 HA CYS 15 -2.474 3.076 2.129 83 HB2 CYS 15 1HB CYS 15 -1.146 2.270 0.026 84 HB3 CYS 15 2HB CYS 15 -1.565 3.853 -0.622 85 H ASN 16 H ASN 16 -2.897 5.053 2.886 86 HA ASN 16 HA ASN 16 -4.823 6.697 1.460 87 HB2 ASN 16 1HB ASN 16 -4.997 6.185 3.931 88 HB3 ASN 16 2HB ASN 16 -3.595 7.224 4.170 89 HD21 ASN 16 1HD2 ASN 16 -4.005 9.255 4.632 90 HD22 ASN 16 2HD2 ASN 16 -5.463 10.109 4.268 91 H GLU 17 H GLU 17 -2.016 6.440 0.537 92 HA GLU 17 HA GLU 17 -1.376 9.311 0.517 93 HB2 GLU 17 1HB GLU 17 0.531 7.003 0.889 94 HB3 GLU 17 2HB GLU 17 1.063 8.605 0.395 95 HG2 GLU 17 1HG GLU 17 0.576 9.547 2.439 96 HG3 GLU 17 2HG GLU 17 -0.591 8.294 2.856 97 H CYS 18 H CYS 18 -0.725 6.189 -1.065 98 HA CYS 18 HA CYS 18 -0.624 7.617 -3.641 99 HB2 CYS 18 1HB CYS 18 0.811 5.842 -4.476 100 HB3 CYS 18 2HB CYS 18 1.505 6.523 -3.008 101 H GLN 19 H GLN 19 -2.480 5.600 -1.767 102 HA GLN 19 HA GLN 19 -4.353 4.370 -2.157 103 HB2 GLN 19 1HB GLN 19 -4.153 5.595 -4.913 104 HB3 GLN 19 2HB GLN 19 -5.548 4.721 -4.295 105 HG2 GLN 19 1HG GLN 19 -4.437 7.254 -3.109 106 HG3 GLN 19 2HG GLN 19 -5.815 7.164 -4.206 107 HE21 GLN 19 1HE2 GLN 19 -5.295 7.855 -1.235 108 HE22 GLN 19 2HE2 GLN 19 -6.586 7.045 -0.421 109 H LYS 20 H LYS 20 -2.147 2.891 -2.167 110 HA LYS 20 HA LYS 20 -2.385 1.125 -4.513 111 HB2 LYS 20 1HB LYS 20 -0.138 2.202 -4.016 112 HB3 LYS 20 2HB LYS 20 -0.078 1.202 -2.571 113 HG2 LYS 20 1HG LYS 20 0.141 -0.761 -3.779 114 HG3 LYS 20 2HG LYS 20 -0.515 -0.044 -5.252 115 HD2 LYS 20 1HD LYS 20 1.492 1.296 -5.524 116 HD3 LYS 20 2HD LYS 20 2.141 0.667 -4.007 117 HE2 LYS 20 1HE LYS 20 1.399 -1.122 -6.306 118 HE3 LYS 20 2HE LYS 20 2.994 -0.385 -6.166 119 HZ1 LYS 20 3HZ LYS 20 2.323 -1.571 -3.712 120 HZ2 LYS 20 1HZ LYS 20 3.582 -1.975 -4.767 121 HZ3 LYS 20 2HZ LYS 20 2.068 -2.708 -4.937 122 H ALA 21 H ALA 21 -3.378 -0.746 -4.192 123 HA ALA 21 HA ALA 21 -4.153 -1.613 -1.583 124 HB1 ALA 21 3HB ALA 21 -5.483 -3.158 -2.637 125 HB2 ALA 21 1HB ALA 21 -5.321 -1.942 -3.904 126 HB3 ALA 21 2HB ALA 21 -4.339 -3.407 -3.956 127 H PHE 22 H PHE 22 -3.506 -3.444 -0.447 128 HA PHE 22 HA PHE 22 -1.076 -4.794 -1.401 129 HB2 PHE 22 1HB PHE 22 -1.529 -3.600 1.338 130 HB3 PHE 22 2HB PHE 22 -0.241 -4.746 0.980 131 HD1 PHE 22 HD2 PHE 22 -1.573 -1.411 0.067 132 HD2 PHE 22 HD1 PHE 22 1.786 -4.025 0.078 133 HE1 PHE 22 HE2 PHE 22 -0.132 0.444 -0.662 134 HE2 PHE 22 HE1 PHE 22 3.233 -2.173 -0.651 135 HZ PHE 22 HZ PHE 22 2.275 0.064 -1.023 136 H ASN 23 H ASN 23 -0.629 -6.829 -0.196 137 HA ASN 23 HA ASN 23 -3.055 -8.365 0.010 138 HB2 ASN 23 1HB ASN 23 -1.470 -10.269 0.446 139 HB3 ASN 23 2HB ASN 23 -1.186 -9.415 -1.068 140 HD21 ASN 23 1HD2 ASN 23 0.635 -8.114 -1.281 141 HD22 ASN 23 2HD2 ASN 23 1.978 -8.236 -0.200 142 H THR 24 H THR 24 -0.424 -7.453 2.213 143 HA THR 24 HA THR 24 -2.181 -8.176 4.468 144 HB THR 24 HB THR 24 -0.100 -8.509 5.806 145 HG1 THR 24 HG1 THR 24 1.464 -7.445 4.682 146 HG21 THR 24 3HG2 THR 24 0.544 -10.673 4.692 147 HG22 THR 24 1HG2 THR 24 -0.523 -10.224 3.362 148 HG23 THR 24 2HG2 THR 24 -1.184 -10.467 4.979 149 H LYS 25 H LYS 25 -1.876 -6.898 6.432 150 HA LYS 25 HA LYS 25 -1.804 -4.103 5.844 151 HB2 LYS 25 1HB LYS 25 -3.337 -4.925 7.522 152 HB3 LYS 25 2HB LYS 25 -2.013 -5.607 8.457 153 HG2 LYS 25 1HG LYS 25 -1.178 -3.121 8.500 154 HG3 LYS 25 2HG LYS 25 -2.879 -2.775 8.178 155 HD2 LYS 25 1HD LYS 25 -2.137 -4.667 10.370 156 HD3 LYS 25 2HD LYS 25 -2.018 -2.926 10.637 157 HE2 LYS 25 1HE LYS 25 -4.166 -3.338 11.344 158 HE3 LYS 25 2HE LYS 25 -4.441 -2.910 9.656 159 HZ1 LYS 25 3HZ LYS 25 -5.639 -4.934 10.440 160 HZ2 LYS 25 1HZ LYS 25 -4.141 -5.706 10.600 161 HZ3 LYS 25 2HZ LYS 25 -4.666 -5.183 9.079 162 H SER 26 H SER 26 0.262 -6.271 7.762 163 HA SER 26 HA SER 26 2.086 -4.585 8.828 164 HB2 SER 26 1HB SER 26 2.800 -7.154 7.393 165 HB3 SER 26 2HB SER 26 3.747 -6.366 8.654 166 HG SER 26 HG SER 26 2.611 -7.789 9.791 167 H ASN 27 H ASN 27 2.178 -5.803 5.487 168 HA ASN 27 HA ASN 27 4.499 -4.429 4.703 169 HB2 ASN 27 1HB ASN 27 2.142 -5.419 3.087 170 HB3 ASN 27 2HB ASN 27 3.616 -4.774 2.370 171 HD21 ASN 27 1HD2 ASN 27 3.340 -7.056 1.446 172 HD22 ASN 27 2HD2 ASN 27 4.199 -8.305 2.276 173 H LEU 28 H LEU 28 1.067 -3.567 4.354 174 HA LEU 28 HA LEU 28 1.395 -1.158 3.000 175 HB2 LEU 28 1HB LEU 28 -0.780 -2.010 3.137 176 HB3 LEU 28 2HB LEU 28 -0.700 -2.169 4.891 177 HG LEU 28 HG LEU 28 -0.755 0.312 5.060 178 HD11 LEU 28 1HD1 LEU 28 -1.458 1.595 3.094 179 HD12 LEU 28 2HD1 LEU 28 -1.286 0.151 2.097 180 HD13 LEU 28 3HD1 LEU 28 0.131 0.863 2.868 181 HD21 LEU 28 3HD2 LEU 28 -2.781 -1.110 5.258 182 HD22 LEU 28 1HD2 LEU 28 -3.085 -0.849 3.540 183 HD23 LEU 28 2HD2 LEU 28 -3.115 0.515 4.658 184 H MET 29 H MET 29 1.000 -1.653 6.512 185 HA MET 29 HA MET 29 1.224 0.902 7.424 186 HB2 MET 29 1HB MET 29 2.489 -1.570 8.618 187 HB3 MET 29 2HB MET 29 2.277 -0.046 9.470 188 HG2 MET 29 1HG MET 29 -0.113 -1.306 8.244 189 HG3 MET 29 2HG MET 29 0.559 -2.030 9.703 190 HE1 MET 29 3HE MET 29 0.615 0.953 12.136 191 HE2 MET 29 1HE MET 29 0.017 -0.695 12.331 192 HE3 MET 29 2HE MET 29 1.531 -0.402 11.475 193 H VAL 30 H VAL 30 3.990 -1.290 6.898 194 HA VAL 30 HA VAL 30 5.962 0.677 7.385 195 HB VAL 30 HB VAL 30 6.182 -1.888 5.803 196 HG11 VAL 30 1HG1 VAL 30 8.523 -1.702 5.943 197 HG12 VAL 30 2HG1 VAL 30 7.964 -0.108 5.430 198 HG13 VAL 30 3HG1 VAL 30 8.431 -0.382 7.109 199 HG21 VAL 30 3HG2 VAL 30 6.629 -1.246 8.711 200 HG22 VAL 30 1HG2 VAL 30 5.506 -2.415 8.016 201 HG23 VAL 30 2HG2 VAL 30 7.244 -2.708 7.938 202 H HIS 31 H HIS 31 4.220 -0.304 4.514 203 HA HIS 31 HA HIS 31 5.895 0.965 2.615 204 HB2 HIS 31 1HB HIS 31 4.459 -0.624 1.689 205 HB3 HIS 31 2HB HIS 31 3.065 -0.032 2.588 206 HD1 HIS 31 HD1 HIS 31 5.197 0.814 -0.405 207 HD2 HIS 31 HD2 HIS 31 1.561 1.881 1.300 208 HE1 HIS 31 HE1 HIS 31 4.048 2.254 -2.117 209 H GLN 32 H GLN 32 3.622 2.164 4.870 210 HA GLN 32 HA GLN 32 2.954 4.566 3.447 211 HB2 GLN 32 1HB GLN 32 2.593 3.757 6.335 212 HB3 GLN 32 2HB GLN 32 2.008 5.274 5.664 213 HG2 GLN 32 1HG GLN 32 0.692 3.913 4.012 214 HG3 GLN 32 2HG GLN 32 1.132 2.490 4.955 215 HE21 GLN 32 1HE2 GLN 32 -0.505 1.869 6.155 216 HE22 GLN 32 2HE2 GLN 32 -1.577 2.899 7.035 217 H ARG 33 H ARG 33 5.019 3.817 6.250 218 HA ARG 33 HA ARG 33 6.054 6.472 6.434 219 HB2 ARG 33 1HB ARG 33 7.636 5.505 8.057 220 HB3 ARG 33 2HB ARG 33 5.975 5.037 8.395 221 HG2 ARG 33 1HG ARG 33 6.577 2.919 7.009 222 HG3 ARG 33 2HG ARG 33 8.239 3.384 7.379 223 HD2 ARG 33 1HD ARG 33 6.206 3.251 9.565 224 HD3 ARG 33 2HD ARG 33 6.945 1.767 8.966 225 HE ARG 33 HE ARG 33 8.217 3.847 10.523 226 HH11 ARG 33 1HH1 ARG 33 8.645 1.072 8.464 227 HH12 ARG 33 2HH1 ARG 33 10.244 0.732 9.035 228 HH21 ARG 33 1HH2 ARG 33 10.322 3.409 11.283 229 HH22 ARG 33 2HH2 ARG 33 11.197 2.061 10.640 230 H THR 34 H THR 34 7.203 3.443 5.025 231 HA THR 34 HA THR 34 9.804 4.148 4.391 232 HB THR 34 HB THR 34 8.656 1.885 4.064 233 HG1 THR 34 HG1 THR 34 10.188 2.625 1.806 234 HG21 THR 34 3HG2 THR 34 8.027 3.085 1.365 235 HG22 THR 34 1HG2 THR 34 6.834 2.743 2.616 236 HG23 THR 34 2HG2 THR 34 7.735 1.422 1.874 237 H HIS 35 H HIS 35 6.807 5.034 2.815 238 HA HIS 35 HA HIS 35 7.424 5.832 0.338 239 HB2 HIS 35 1HB HIS 35 5.737 7.073 2.451 240 HB3 HIS 35 2HB HIS 35 6.059 8.032 1.010 241 HD1 HIS 35 HD1 HIS 35 5.791 6.081 -1.226 242 HD2 HIS 35 HD2 HIS 35 3.285 6.009 2.087 243 HE1 HIS 35 HE1 HIS 35 3.710 4.890 -1.983 244 H THR 36 H THR 36 8.245 7.695 3.251 245 HA THR 36 HA THR 36 9.829 9.556 1.669 246 HB THR 36 HB THR 36 8.446 10.464 3.478 247 HG1 THR 36 HG1 THR 36 10.373 11.449 4.663 248 HG21 THR 36 3HG2 THR 36 8.335 9.545 5.507 249 HG22 THR 36 1HG2 THR 36 10.083 9.657 5.710 250 HG23 THR 36 2HG2 THR 36 9.376 8.250 4.917 251 H GLY 37 H GLY 37 11.732 8.711 1.029 252 HA2 GLY 37 1HA GLY 37 13.957 8.545 2.536 253 HA3 GLY 37 2HA GLY 37 13.247 6.953 2.764 254 H GLU 38 H GLU 38 13.115 5.520 1.001 255 HA GLU 38 HA GLU 38 15.263 5.278 -0.631 256 HB2 GLU 38 1HB GLU 38 13.280 3.669 -0.268 257 HB3 GLU 38 2HB GLU 38 12.539 4.491 -1.634 258 HG2 GLU 38 1HG GLU 38 13.754 2.372 -2.177 259 HG3 GLU 38 2HG GLU 38 14.246 3.786 -3.107 260 H SER 39 H SER 39 16.086 6.898 -1.814 261 HA SER 39 HA SER 39 14.827 9.000 -3.021 262 HB2 SER 39 1HB SER 39 16.771 9.158 -4.527 263 HB3 SER 39 2HB SER 39 17.269 8.803 -2.873 264 HG SER 39 HG SER 39 18.204 7.102 -3.645 265 H GLY 40 H GLY 40 13.042 8.849 -4.235 266 HA2 GLY 40 1HA GLY 40 13.238 7.478 -6.792 267 HA3 GLY 40 2HA GLY 40 11.990 6.882 -5.707 268 HA PRO 41 HA PRO 41 9.266 9.876 -7.413 269 HB2 PRO 41 1HB PRO 41 7.451 10.019 -5.400 270 HB3 PRO 41 2HB PRO 41 7.564 8.637 -6.495 271 HG2 PRO 41 1HG PRO 41 8.653 8.952 -3.724 272 HG3 PRO 41 2HG PRO 41 7.833 7.559 -4.452 273 HD2 PRO 41 1HD PRO 41 10.524 7.689 -4.184 274 HD3 PRO 41 2HD PRO 41 9.738 6.842 -5.532 275 H SER 42 H SER 42 9.172 12.046 -7.480 276 HA SER 42 HA SER 42 10.661 13.587 -5.589 277 HB2 SER 42 1HB SER 42 10.245 13.979 -8.160 278 HB3 SER 42 2HB SER 42 8.826 14.856 -7.588 279 HG SER 42 HG SER 42 10.551 16.279 -7.742 280 H SER 43 H SER 43 9.897 14.067 -3.644 281 HA SER 43 HA SER 43 7.396 13.835 -2.638 282 HB2 SER 43 1HB SER 43 9.419 14.428 -1.313 283 HB3 SER 43 2HB SER 43 9.294 16.082 -1.914 284 HG SER 43 HG SER 43 7.142 14.820 -0.590 285 H GLY 44 H GLY 44 8.710 16.828 -4.063 286 HA2 GLY 44 1HA GLY 44 7.400 18.178 -5.553 287 HA3 GLY 44 2HA GLY 44 5.952 17.596 -4.744 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -13.250 -0.796 -26.883 2 HA2 GLY 1 1HA GLY 1 -13.321 0.584 -24.324 3 HA3 GLY 1 2HA GLY 1 -14.438 -0.656 -24.873 4 H SER 2 H SER 2 -11.075 -0.199 -23.824 5 HA SER 2 HA SER 2 -10.616 -2.945 -23.277 6 HB2 SER 2 1HB SER 2 -9.206 -0.425 -22.390 7 HB3 SER 2 2HB SER 2 -8.653 -2.037 -21.937 8 HG SER 2 HG SER 2 -8.883 -2.318 -24.417 9 H SER 3 H SER 3 -12.459 -3.572 -22.056 10 HA SER 3 HA SER 3 -13.281 -2.407 -19.651 11 HB2 SER 3 1HB SER 3 -14.376 -4.580 -19.192 12 HB3 SER 3 2HB SER 3 -14.661 -4.032 -20.844 13 HG SER 3 HG SER 3 -14.082 -6.237 -20.781 14 H GLY 4 H GLY 4 -11.516 -1.890 -18.359 15 HA2 GLY 4 1HA GLY 4 -9.752 -2.240 -16.909 16 HA3 GLY 4 2HA GLY 4 -10.791 -3.528 -16.317 17 H SER 5 H SER 5 -8.099 -2.736 -18.410 18 HA SER 5 HA SER 5 -7.635 -5.417 -19.286 19 HB2 SER 5 1HB SER 5 -5.823 -2.991 -19.299 20 HB3 SER 5 2HB SER 5 -5.470 -4.516 -20.111 21 HG SER 5 HG SER 5 -7.688 -4.064 -21.101 22 H SER 6 H SER 6 -5.873 -3.290 -17.029 23 HA SER 6 HA SER 6 -4.840 -5.715 -15.709 24 HB2 SER 6 1HB SER 6 -3.556 -3.018 -16.135 25 HB3 SER 6 2HB SER 6 -2.956 -4.168 -14.940 26 HG SER 6 HG SER 6 -2.967 -5.682 -16.846 27 H GLY 7 H GLY 7 -5.316 -6.001 -13.621 28 HA2 GLY 7 1HA GLY 7 -5.446 -4.931 -11.389 29 HA3 GLY 7 2HA GLY 7 -6.442 -3.698 -12.148 30 H THR 8 H THR 8 -6.319 -7.145 -11.357 31 HA THR 8 HA THR 8 -9.267 -7.145 -11.290 32 HB THR 8 HB THR 8 -7.421 -9.487 -11.799 33 HG1 THR 8 HG1 THR 8 -8.900 -7.766 -13.447 34 HG21 THR 8 3HG2 THR 8 -9.232 -10.486 -10.775 35 HG22 THR 8 1HG2 THR 8 -9.754 -10.487 -12.459 36 HG23 THR 8 2HG2 THR 8 -10.366 -9.263 -11.347 37 H GLY 9 H GLY 9 -10.198 -7.478 -9.375 38 HA2 GLY 9 1HA GLY 9 -10.487 -8.582 -7.304 39 HA3 GLY 9 2HA GLY 9 -8.787 -9.024 -7.330 40 H GLU 10 H GLU 10 -10.636 -7.583 -5.363 41 HA GLU 10 HA GLU 10 -9.074 -5.113 -5.049 42 HB2 GLU 10 1HB GLU 10 -10.854 -4.242 -3.735 43 HB3 GLU 10 2HB GLU 10 -11.592 -4.984 -5.148 44 HG2 GLU 10 1HG GLU 10 -12.256 -6.898 -3.877 45 HG3 GLU 10 2HG GLU 10 -11.357 -6.333 -2.470 46 H LYS 11 H LYS 11 -8.650 -4.477 -2.737 47 HA LYS 11 HA LYS 11 -8.116 -6.806 -1.028 48 HB2 LYS 11 1HB LYS 11 -6.161 -4.643 -1.806 49 HB3 LYS 11 2HB LYS 11 -5.918 -5.695 -0.418 50 HG2 LYS 11 1HG LYS 11 -5.620 -7.583 -1.742 51 HG3 LYS 11 2HG LYS 11 -6.389 -6.837 -3.144 52 HD2 LYS 11 1HD LYS 11 -4.499 -5.310 -3.379 53 HD3 LYS 11 2HD LYS 11 -3.736 -6.022 -1.955 54 HE2 LYS 11 1HE LYS 11 -4.444 -7.586 -4.430 55 HE3 LYS 11 2HE LYS 11 -2.867 -6.846 -4.163 56 HZ1 LYS 11 3HZ LYS 11 -4.086 -8.788 -2.284 57 HZ2 LYS 11 1HZ LYS 11 -2.491 -8.225 -2.296 58 HZ3 LYS 11 2HZ LYS 11 -3.038 -9.240 -3.533 59 HA PRO 12 HA PRO 12 -9.908 -4.320 2.132 60 HB2 PRO 12 1HB PRO 12 -8.855 -5.558 4.307 61 HB3 PRO 12 2HB PRO 12 -10.141 -6.269 3.326 62 HG2 PRO 12 1HG PRO 12 -7.198 -6.810 3.270 63 HG3 PRO 12 2HG PRO 12 -8.548 -7.957 3.190 64 HD2 PRO 12 1HD PRO 12 -7.181 -7.160 0.992 65 HD3 PRO 12 2HD PRO 12 -8.908 -7.570 0.947 66 H TYR 13 H TYR 13 -6.597 -4.406 1.460 67 HA TYR 13 HA TYR 13 -6.075 -2.244 3.394 68 HB2 TYR 13 1HB TYR 13 -3.988 -4.022 2.128 69 HB3 TYR 13 2HB TYR 13 -3.774 -2.900 3.467 70 HD1 TYR 13 HD2 TYR 13 -4.889 -3.420 5.672 71 HD2 TYR 13 HD1 TYR 13 -4.654 -6.252 2.506 72 HE1 TYR 13 HE2 TYR 13 -5.342 -5.234 7.269 73 HE2 TYR 13 HE1 TYR 13 -5.108 -8.074 4.094 74 HH TYR 13 HH TYR 13 -6.342 -8.199 6.447 75 H GLU 14 H GLU 14 -5.396 -0.319 2.644 76 HA GLU 14 HA GLU 14 -4.298 -0.062 -0.027 77 HB2 GLU 14 1HB GLU 14 -7.041 0.821 0.708 78 HB3 GLU 14 2HB GLU 14 -6.088 1.904 -0.296 79 HG2 GLU 14 1HG GLU 14 -5.913 0.322 -2.024 80 HG3 GLU 14 2HG GLU 14 -6.472 -0.989 -0.987 81 H CYS 15 H CYS 15 -3.368 2.023 -0.432 82 HA CYS 15 HA CYS 15 -2.526 3.334 2.037 83 HB2 CYS 15 1HB CYS 15 -0.997 2.519 0.045 84 HB3 CYS 15 2HB CYS 15 -1.442 4.075 -0.650 85 H ASN 16 H ASN 16 -3.034 5.380 2.578 86 HA ASN 16 HA ASN 16 -4.993 6.753 0.907 87 HB2 ASN 16 1HB ASN 16 -4.166 6.964 3.783 88 HB3 ASN 16 2HB ASN 16 -5.028 8.296 3.018 89 HD21 ASN 16 1HD2 ASN 16 -5.204 4.782 3.432 90 HD22 ASN 16 2HD2 ASN 16 -6.924 4.714 3.588 91 H GLU 17 H GLU 17 -2.082 6.660 0.287 92 HA GLU 17 HA GLU 17 -1.672 9.564 0.099 93 HB2 GLU 17 1HB GLU 17 0.372 7.483 0.871 94 HB3 GLU 17 2HB GLU 17 0.805 9.100 0.336 95 HG2 GLU 17 1HG GLU 17 -0.849 9.822 2.243 96 HG3 GLU 17 2HG GLU 17 -0.474 8.217 2.868 97 H CYS 18 H CYS 18 -0.543 6.408 -1.104 98 HA CYS 18 HA CYS 18 -0.107 7.638 -3.738 99 HB2 CYS 18 1HB CYS 18 1.309 5.711 -4.239 100 HB3 CYS 18 2HB CYS 18 1.840 6.494 -2.754 101 H GLN 19 H GLN 19 -2.280 5.734 -2.037 102 HA GLN 19 HA GLN 19 -4.160 4.606 -2.648 103 HB2 GLN 19 1HB GLN 19 -3.539 5.534 -5.456 104 HB3 GLN 19 2HB GLN 19 -5.087 4.948 -4.862 105 HG2 GLN 19 1HG GLN 19 -3.700 7.527 -4.220 106 HG3 GLN 19 2HG GLN 19 -5.279 7.282 -4.964 107 HE21 GLN 19 1HE2 GLN 19 -7.004 6.522 -3.649 108 HE22 GLN 19 2HE2 GLN 19 -6.993 6.792 -1.942 109 H LYS 20 H LYS 20 -1.845 3.145 -2.369 110 HA LYS 20 HA LYS 20 -1.962 1.190 -4.566 111 HB2 LYS 20 1HB LYS 20 0.263 2.161 -4.133 112 HB3 LYS 20 2HB LYS 20 0.185 1.585 -2.474 113 HG2 LYS 20 1HG LYS 20 0.210 -0.702 -3.210 114 HG3 LYS 20 2HG LYS 20 0.111 -0.198 -4.899 115 HD2 LYS 20 1HD LYS 20 2.291 1.114 -4.360 116 HD3 LYS 20 2HD LYS 20 2.406 0.011 -2.987 117 HE2 LYS 20 1HE LYS 20 1.877 -1.128 -5.686 118 HE3 LYS 20 2HE LYS 20 3.506 -0.559 -5.321 119 HZ1 LYS 20 3HZ LYS 20 3.783 -2.578 -4.446 120 HZ2 LYS 20 1HZ LYS 20 2.123 -2.895 -4.369 121 HZ3 LYS 20 2HZ LYS 20 2.874 -2.015 -3.135 122 H ALA 21 H ALA 21 -2.999 -0.646 -4.191 123 HA ALA 21 HA ALA 21 -3.905 -1.315 -1.539 124 HB1 ALA 21 3HB ALA 21 -5.483 -1.726 -3.223 125 HB2 ALA 21 1HB ALA 21 -4.307 -2.553 -4.245 126 HB3 ALA 21 2HB ALA 21 -4.889 -3.323 -2.768 127 H PHE 22 H PHE 22 -3.412 -3.185 -0.368 128 HA PHE 22 HA PHE 22 -1.044 -4.683 -1.260 129 HB2 PHE 22 1HB PHE 22 -1.523 -3.519 1.489 130 HB3 PHE 22 2HB PHE 22 -0.254 -4.682 1.118 131 HD1 PHE 22 HD2 PHE 22 -1.514 -1.315 0.187 132 HD2 PHE 22 HD1 PHE 22 1.818 -3.957 0.369 133 HE1 PHE 22 HE2 PHE 22 -0.020 0.529 -0.463 134 HE2 PHE 22 HE1 PHE 22 3.317 -2.117 -0.279 135 HZ PHE 22 HZ PHE 22 2.399 0.130 -0.697 136 H ASN 23 H ASN 23 -0.763 -6.758 -0.108 137 HA ASN 23 HA ASN 23 -3.270 -8.152 0.021 138 HB2 ASN 23 1HB ASN 23 -1.813 -10.143 0.499 139 HB3 ASN 23 2HB ASN 23 -1.419 -9.296 -0.994 140 HD21 ASN 23 1HD2 ASN 23 0.112 -10.999 1.000 141 HD22 ASN 23 2HD2 ASN 23 1.542 -10.081 1.313 142 H THR 24 H THR 24 -0.622 -7.578 2.332 143 HA THR 24 HA THR 24 -2.529 -8.128 4.512 144 HB THR 24 HB THR 24 -0.620 -8.749 5.915 145 HG1 THR 24 HG1 THR 24 0.847 -7.394 4.439 146 HG21 THR 24 3HG2 THR 24 0.152 -10.559 3.880 147 HG22 THR 24 1HG2 THR 24 -1.555 -10.193 3.635 148 HG23 THR 24 2HG2 THR 24 -1.002 -10.819 5.188 149 H LYS 25 H LYS 25 -2.128 -6.928 6.530 150 HA LYS 25 HA LYS 25 -1.883 -4.137 6.012 151 HB2 LYS 25 1HB LYS 25 -3.402 -5.048 7.728 152 HB3 LYS 25 2HB LYS 25 -2.014 -5.602 8.655 153 HG2 LYS 25 1HG LYS 25 -1.274 -3.188 8.747 154 HG3 LYS 25 2HG LYS 25 -2.867 -2.775 8.108 155 HD2 LYS 25 1HD LYS 25 -3.727 -4.258 10.076 156 HD3 LYS 25 2HD LYS 25 -2.127 -3.949 10.756 157 HE2 LYS 25 1HE LYS 25 -2.585 -1.491 10.369 158 HE3 LYS 25 2HE LYS 25 -4.253 -1.947 10.025 159 HZ1 LYS 25 3HZ LYS 25 -3.975 -1.278 12.328 160 HZ2 LYS 25 1HZ LYS 25 -2.807 -2.480 12.564 161 HZ3 LYS 25 2HZ LYS 25 -4.408 -2.911 12.234 162 H SER 26 H SER 26 0.054 -6.385 7.989 163 HA SER 26 HA SER 26 2.021 -4.735 8.888 164 HB2 SER 26 1HB SER 26 2.023 -7.046 9.535 165 HB3 SER 26 2HB SER 26 2.270 -7.571 7.869 166 HG SER 26 HG SER 26 4.265 -7.632 8.704 167 H ASN 27 H ASN 27 1.551 -5.870 5.626 168 HA ASN 27 HA ASN 27 4.130 -5.049 4.675 169 HB2 ASN 27 1HB ASN 27 1.585 -5.873 3.277 170 HB3 ASN 27 2HB ASN 27 3.036 -5.391 2.403 171 HD21 ASN 27 1HD2 ASN 27 2.860 -7.563 1.519 172 HD22 ASN 27 2HD2 ASN 27 3.551 -8.881 2.397 173 H LEU 28 H LEU 28 0.879 -3.677 4.688 174 HA LEU 28 HA LEU 28 1.549 -1.405 3.100 175 HB2 LEU 28 1HB LEU 28 -0.714 -1.987 3.100 176 HB3 LEU 28 2HB LEU 28 -0.768 -2.134 4.855 177 HG LEU 28 HG LEU 28 -0.500 0.358 4.980 178 HD11 LEU 28 1HD1 LEU 28 0.148 1.396 3.123 179 HD12 LEU 28 2HD1 LEU 28 -1.492 1.155 2.522 180 HD13 LEU 28 3HD1 LEU 28 -0.227 -0.006 2.120 181 HD21 LEU 28 3HD2 LEU 28 -2.936 -0.461 3.418 182 HD22 LEU 28 1HD2 LEU 28 -2.797 0.783 4.661 183 HD23 LEU 28 2HD2 LEU 28 -2.684 -0.921 5.103 184 H MET 29 H MET 29 1.048 -1.887 6.591 185 HA MET 29 HA MET 29 1.458 0.685 7.484 186 HB2 MET 29 1HB MET 29 1.974 -0.239 9.616 187 HB3 MET 29 2HB MET 29 0.820 -1.330 8.862 188 HG2 MET 29 1HG MET 29 2.595 -2.861 8.279 189 HG3 MET 29 2HG MET 29 3.798 -1.748 8.926 190 HE1 MET 29 3HE MET 29 4.457 -3.750 11.867 191 HE2 MET 29 1HE MET 29 4.113 -4.693 10.417 192 HE3 MET 29 2HE MET 29 4.941 -3.142 10.283 193 H VAL 30 H VAL 30 3.891 -1.784 6.744 194 HA VAL 30 HA VAL 30 6.124 -0.213 7.530 195 HB VAL 30 HB VAL 30 5.966 -2.590 5.673 196 HG11 VAL 30 1HG1 VAL 30 8.438 -1.505 7.001 197 HG12 VAL 30 2HG1 VAL 30 8.324 -2.757 5.763 198 HG13 VAL 30 3HG1 VAL 30 7.967 -1.078 5.356 199 HG21 VAL 30 3HG2 VAL 30 6.594 -3.916 7.529 200 HG22 VAL 30 1HG2 VAL 30 6.962 -2.497 8.510 201 HG23 VAL 30 2HG2 VAL 30 5.289 -2.873 8.096 202 H HIS 31 H HIS 31 4.430 -0.698 4.479 203 HA HIS 31 HA HIS 31 6.271 0.573 2.785 204 HB2 HIS 31 1HB HIS 31 4.673 -0.580 1.593 205 HB3 HIS 31 2HB HIS 31 3.359 -0.063 2.645 206 HD1 HIS 31 HD1 HIS 31 5.573 1.310 -0.107 207 HD2 HIS 31 HD2 HIS 31 1.901 2.037 1.695 208 HE1 HIS 31 HE1 HIS 31 4.487 3.106 -1.494 209 H GLN 32 H GLN 32 3.276 1.895 4.208 210 HA GLN 32 HA GLN 32 3.275 4.442 3.387 211 HB2 GLN 32 1HB GLN 32 2.908 3.602 6.268 212 HB3 GLN 32 2HB GLN 32 2.336 5.108 5.561 213 HG2 GLN 32 1HG GLN 32 0.946 3.752 3.993 214 HG3 GLN 32 2HG GLN 32 1.412 2.322 4.913 215 HE21 GLN 32 1HE2 GLN 32 -1.196 2.845 4.700 216 HE22 GLN 32 2HE2 GLN 32 -1.838 3.434 6.191 217 H ARG 33 H ARG 33 5.323 3.237 6.030 218 HA ARG 33 HA ARG 33 6.539 5.509 6.893 219 HB2 ARG 33 1HB ARG 33 7.755 2.793 6.393 220 HB3 ARG 33 2HB ARG 33 8.611 4.085 7.222 221 HG2 ARG 33 1HG ARG 33 6.913 4.127 8.958 222 HG3 ARG 33 2HG ARG 33 6.004 2.871 8.114 223 HD2 ARG 33 1HD ARG 33 7.260 1.860 9.896 224 HD3 ARG 33 2HD ARG 33 7.956 1.364 8.354 225 HE ARG 33 HE ARG 33 9.242 3.669 9.463 226 HH11 ARG 33 1HH1 ARG 33 9.098 0.191 9.546 227 HH12 ARG 33 2HH1 ARG 33 10.725 0.007 10.111 228 HH21 ARG 33 1HH2 ARG 33 11.387 3.439 10.206 229 HH22 ARG 33 2HH2 ARG 33 12.026 1.855 10.486 230 H THR 34 H THR 34 7.518 3.603 4.054 231 HA THR 34 HA THR 34 9.742 4.905 3.211 232 HB THR 34 HB THR 34 9.171 4.338 0.917 233 HG1 THR 34 HG1 THR 34 6.988 3.400 0.606 234 HG21 THR 34 3HG2 THR 34 9.128 2.042 1.173 235 HG22 THR 34 1HG2 THR 34 7.961 2.105 2.493 236 HG23 THR 34 2HG2 THR 34 9.641 2.558 2.779 237 H HIS 35 H HIS 35 6.405 5.919 2.493 238 HA HIS 35 HA HIS 35 6.862 8.125 0.940 239 HB2 HIS 35 1HB HIS 35 4.783 7.670 3.079 240 HB3 HIS 35 2HB HIS 35 4.770 9.086 2.031 241 HD1 HIS 35 HD1 HIS 35 5.331 7.890 -0.679 242 HD2 HIS 35 HD2 HIS 35 2.807 6.105 2.098 243 HE1 HIS 35 HE1 HIS 35 3.808 6.399 -2.015 244 H THR 36 H THR 36 6.180 8.482 4.417 245 HA THR 36 HA THR 36 7.278 11.071 4.580 246 HB THR 36 HB THR 36 5.629 10.165 6.202 247 HG1 THR 36 HG1 THR 36 7.268 11.927 6.649 248 HG21 THR 36 3HG2 THR 36 6.884 7.931 6.381 249 HG22 THR 36 1HG2 THR 36 6.193 8.602 7.858 250 HG23 THR 36 2HG2 THR 36 7.921 8.758 7.543 251 H GLY 37 H GLY 37 9.343 11.634 4.430 252 HA2 GLY 37 1HA GLY 37 11.375 10.574 6.059 253 HA3 GLY 37 2HA GLY 37 11.498 9.837 4.469 254 H GLU 38 H GLU 38 10.705 12.040 2.906 255 HA GLU 38 HA GLU 38 13.003 13.830 3.333 256 HB2 GLU 38 1HB GLU 38 12.876 12.326 1.246 257 HB3 GLU 38 2HB GLU 38 11.613 13.419 0.697 258 HG2 GLU 38 1HG GLU 38 13.064 15.178 0.416 259 HG3 GLU 38 2HG GLU 38 14.235 14.535 1.566 260 H SER 39 H SER 39 12.664 16.024 2.204 261 HA SER 39 HA SER 39 9.939 16.986 2.785 262 HB2 SER 39 1HB SER 39 12.563 18.412 3.288 263 HB3 SER 39 2HB SER 39 10.966 19.123 3.518 264 HG SER 39 HG SER 39 10.766 17.013 4.887 265 H GLY 40 H GLY 40 9.078 18.569 1.439 266 HA2 GLY 40 1HA GLY 40 9.944 18.490 -1.266 267 HA3 GLY 40 2HA GLY 40 8.672 19.514 -0.617 268 HA PRO 41 HA PRO 41 12.845 21.787 -1.439 269 HB2 PRO 41 1HB PRO 41 12.592 22.456 -4.058 270 HB3 PRO 41 2HB PRO 41 13.410 20.985 -3.517 271 HG2 PRO 41 1HG PRO 41 10.622 21.331 -4.552 272 HG3 PRO 41 2HG PRO 41 11.804 20.063 -4.923 273 HD2 PRO 41 1HD PRO 41 9.775 19.695 -3.169 274 HD3 PRO 41 2HD PRO 41 11.351 18.898 -2.987 275 H SER 42 H SER 42 12.981 24.041 -1.529 276 HA SER 42 HA SER 42 10.926 25.563 -0.641 277 HB2 SER 42 1HB SER 42 12.168 27.504 -1.247 278 HB3 SER 42 2HB SER 42 13.360 26.245 -0.924 279 HG SER 42 HG SER 42 13.999 27.061 -2.825 280 H SER 43 H SER 43 9.713 27.339 -1.718 281 HA SER 43 HA SER 43 9.123 27.064 -4.522 282 HB2 SER 43 1HB SER 43 7.297 25.966 -2.433 283 HB3 SER 43 2HB SER 43 6.574 26.786 -3.817 284 HG SER 43 HG SER 43 7.217 24.345 -3.809 285 H GLY 44 H GLY 44 7.308 28.596 -5.159 286 HA2 GLY 44 1HA GLY 44 6.329 30.681 -5.108 287 HA3 GLY 44 2HA GLY 44 6.579 30.694 -3.368 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -9.295 7.726 -19.318 2 HA2 GLY 1 1HA GLY 1 -9.977 10.010 -21.019 3 HA3 GLY 1 2HA GLY 1 -10.005 8.413 -21.751 4 H SER 2 H SER 2 -11.647 6.981 -21.247 5 HA SER 2 HA SER 2 -14.040 8.225 -20.179 6 HB2 SER 2 1HB SER 2 -15.128 6.074 -20.908 7 HB3 SER 2 2HB SER 2 -14.323 6.959 -22.204 8 HG SER 2 HG SER 2 -13.657 4.883 -22.417 9 H SER 3 H SER 3 -15.192 7.537 -18.396 10 HA SER 3 HA SER 3 -13.671 5.875 -16.509 11 HB2 SER 3 1HB SER 3 -15.566 8.162 -16.186 12 HB3 SER 3 2HB SER 3 -15.474 6.963 -14.896 13 HG SER 3 HG SER 3 -13.954 8.925 -14.985 14 H GLY 4 H GLY 4 -14.316 3.818 -17.002 15 HA2 GLY 4 1HA GLY 4 -17.158 3.231 -16.485 16 HA3 GLY 4 2HA GLY 4 -16.356 2.540 -17.887 17 H SER 5 H SER 5 -17.345 0.649 -16.516 18 HA SER 5 HA SER 5 -16.389 -0.325 -14.184 19 HB2 SER 5 1HB SER 5 -17.136 -1.683 -16.745 20 HB3 SER 5 2HB SER 5 -16.455 -2.647 -15.435 21 HG SER 5 HG SER 5 -18.930 -1.983 -15.682 22 H SER 6 H SER 6 -14.662 -1.653 -13.514 23 HA SER 6 HA SER 6 -12.331 -1.730 -15.300 24 HB2 SER 6 1HB SER 6 -11.834 0.139 -13.926 25 HB3 SER 6 2HB SER 6 -12.434 -0.668 -12.477 26 HG SER 6 HG SER 6 -10.506 -1.424 -12.198 27 H GLY 7 H GLY 7 -11.307 -3.637 -15.334 28 HA2 GLY 7 1HA GLY 7 -12.370 -5.820 -13.794 29 HA3 GLY 7 2HA GLY 7 -11.076 -5.911 -14.980 30 H THR 8 H THR 8 -11.541 -4.286 -11.838 31 HA THR 8 HA THR 8 -8.985 -5.475 -10.973 32 HB THR 8 HB THR 8 -10.029 -2.779 -10.095 33 HG1 THR 8 HG1 THR 8 -9.272 -3.094 -12.411 34 HG21 THR 8 3HG2 THR 8 -8.446 -4.124 -8.609 35 HG22 THR 8 1HG2 THR 8 -7.952 -2.483 -9.024 36 HG23 THR 8 2HG2 THR 8 -7.231 -3.859 -9.860 37 H GLY 9 H GLY 9 -8.838 -6.207 -8.860 38 HA2 GLY 9 1HA GLY 9 -11.341 -6.949 -7.643 39 HA3 GLY 9 2HA GLY 9 -9.734 -7.372 -7.070 40 H GLU 10 H GLU 10 -10.481 -6.932 -4.926 41 HA GLU 10 HA GLU 10 -10.081 -4.158 -4.194 42 HB2 GLU 10 1HB GLU 10 -12.706 -5.558 -3.919 43 HB3 GLU 10 2HB GLU 10 -12.212 -4.436 -2.659 44 HG2 GLU 10 1HG GLU 10 -11.783 -2.818 -4.653 45 HG3 GLU 10 2HG GLU 10 -12.874 -3.903 -5.514 46 H LYS 11 H LYS 11 -8.588 -4.286 -2.667 47 HA LYS 11 HA LYS 11 -8.636 -6.564 -0.810 48 HB2 LYS 11 1HB LYS 11 -6.419 -4.699 -1.653 49 HB3 LYS 11 2HB LYS 11 -6.262 -5.820 -0.307 50 HG2 LYS 11 1HG LYS 11 -6.964 -6.690 -3.097 51 HG3 LYS 11 2HG LYS 11 -5.308 -6.598 -2.494 52 HD2 LYS 11 1HD LYS 11 -5.627 -8.328 -0.982 53 HD3 LYS 11 2HD LYS 11 -7.381 -8.128 -0.971 54 HE2 LYS 11 1HE LYS 11 -7.093 -10.068 -2.207 55 HE3 LYS 11 2HE LYS 11 -7.241 -8.831 -3.454 56 HZ1 LYS 11 3HZ LYS 11 -4.837 -8.782 -3.648 57 HZ2 LYS 11 1HZ LYS 11 -5.417 -10.349 -3.913 58 HZ3 LYS 11 2HZ LYS 11 -4.686 -9.956 -2.439 59 HA PRO 12 HA PRO 12 -9.769 -3.991 2.569 60 HB2 PRO 12 1HB PRO 12 -8.595 -5.341 4.611 61 HB3 PRO 12 2HB PRO 12 -10.038 -5.928 3.776 62 HG2 PRO 12 1HG PRO 12 -7.175 -6.718 3.394 63 HG3 PRO 12 2HG PRO 12 -8.620 -7.744 3.461 64 HD2 PRO 12 1HD PRO 12 -7.439 -7.040 1.128 65 HD3 PRO 12 2HD PRO 12 -9.189 -7.301 1.272 66 H TYR 13 H TYR 13 -6.544 -4.406 1.586 67 HA TYR 13 HA TYR 13 -5.650 -2.279 3.420 68 HB2 TYR 13 1HB TYR 13 -3.787 -4.164 1.995 69 HB3 TYR 13 2HB TYR 13 -3.473 -3.177 3.418 70 HD1 TYR 13 HD2 TYR 13 -5.073 -3.758 5.483 71 HD2 TYR 13 HD1 TYR 13 -4.093 -6.425 2.316 72 HE1 TYR 13 HE2 TYR 13 -5.614 -5.670 6.933 73 HE2 TYR 13 HE1 TYR 13 -4.632 -8.344 3.757 74 HH TYR 13 HH TYR 13 -6.321 -8.059 6.640 75 H GLU 14 H GLU 14 -5.318 -0.377 2.498 76 HA GLU 14 HA GLU 14 -4.115 -0.203 -0.136 77 HB2 GLU 14 1HB GLU 14 -6.918 0.676 0.465 78 HB3 GLU 14 2HB GLU 14 -5.963 1.541 -0.731 79 HG2 GLU 14 1HG GLU 14 -5.729 -0.427 -2.066 80 HG3 GLU 14 2HG GLU 14 -6.477 -1.420 -0.817 81 H CYS 15 H CYS 15 -2.749 1.470 -0.256 82 HA CYS 15 HA CYS 15 -2.060 2.997 1.958 83 HB2 CYS 15 1HB CYS 15 -0.847 2.548 -0.353 84 HB3 CYS 15 2HB CYS 15 -1.563 4.101 -0.772 85 H ASN 16 H ASN 16 -1.907 5.563 1.621 86 HA ASN 16 HA ASN 16 -4.636 6.511 1.043 87 HB2 ASN 16 1HB ASN 16 -2.844 7.137 3.381 88 HB3 ASN 16 2HB ASN 16 -4.148 8.221 2.907 89 HD21 ASN 16 1HD2 ASN 16 -3.588 6.354 5.252 90 HD22 ASN 16 2HD2 ASN 16 -5.067 5.481 5.436 91 H GLU 17 H GLU 17 -1.233 6.995 0.754 92 HA GLU 17 HA GLU 17 -1.552 9.684 -0.330 93 HB2 GLU 17 1HB GLU 17 0.369 8.852 1.228 94 HB3 GLU 17 2HB GLU 17 1.047 8.192 -0.253 95 HG2 GLU 17 1HG GLU 17 0.199 11.035 -0.253 96 HG3 GLU 17 2HG GLU 17 1.670 10.601 0.617 97 H CYS 18 H CYS 18 -0.281 6.524 -1.357 98 HA CYS 18 HA CYS 18 -0.372 7.429 -4.144 99 HB2 CYS 18 1HB CYS 18 1.113 5.666 -4.673 100 HB3 CYS 18 2HB CYS 18 1.702 6.326 -3.150 101 H GLN 19 H GLN 19 -2.194 5.704 -1.915 102 HA GLN 19 HA GLN 19 -4.027 4.364 -2.057 103 HB2 GLN 19 1HB GLN 19 -4.060 5.917 -4.593 104 HB3 GLN 19 2HB GLN 19 -5.146 4.539 -4.477 105 HG2 GLN 19 1HG GLN 19 -6.109 6.766 -3.823 106 HG3 GLN 19 2HG GLN 19 -6.296 5.466 -2.646 107 HE21 GLN 19 1HE2 GLN 19 -6.555 6.909 -0.949 108 HE22 GLN 19 2HE2 GLN 19 -5.237 7.821 -0.303 109 H LYS 20 H LYS 20 -1.861 2.879 -2.203 110 HA LYS 20 HA LYS 20 -2.221 1.079 -4.504 111 HB2 LYS 20 1HB LYS 20 0.045 2.001 -4.251 112 HB3 LYS 20 2HB LYS 20 0.133 1.342 -2.624 113 HG2 LYS 20 1HG LYS 20 0.022 -0.912 -3.494 114 HG3 LYS 20 2HG LYS 20 -0.171 -0.292 -5.136 115 HD2 LYS 20 1HD LYS 20 2.215 0.355 -3.420 116 HD3 LYS 20 2HD LYS 20 2.159 -1.051 -4.486 117 HE2 LYS 20 1HE LYS 20 2.202 0.225 -6.393 118 HE3 LYS 20 2HE LYS 20 1.467 1.620 -5.605 119 HZ1 LYS 20 3HZ LYS 20 3.825 1.954 -6.150 120 HZ2 LYS 20 1HZ LYS 20 4.240 0.679 -5.119 121 HZ3 LYS 20 2HZ LYS 20 3.527 2.077 -4.489 122 H ALA 21 H ALA 21 -2.990 -0.916 -4.193 123 HA ALA 21 HA ALA 21 -3.815 -1.706 -1.544 124 HB1 ALA 21 3HB ALA 21 -5.316 -2.088 -3.402 125 HB2 ALA 21 1HB ALA 21 -4.109 -3.093 -4.206 126 HB3 ALA 21 2HB ALA 21 -4.840 -3.631 -2.693 127 H PHE 22 H PHE 22 -3.173 -3.564 -0.431 128 HA PHE 22 HA PHE 22 -0.747 -4.900 -1.415 129 HB2 PHE 22 1HB PHE 22 -1.188 -3.724 1.332 130 HB3 PHE 22 2HB PHE 22 0.086 -4.885 0.974 131 HD1 PHE 22 HD2 PHE 22 -1.244 -1.621 -0.239 132 HD2 PHE 22 HD1 PHE 22 2.162 -4.096 0.382 133 HE1 PHE 22 HE2 PHE 22 0.220 0.219 -0.961 134 HE2 PHE 22 HE1 PHE 22 3.632 -2.259 -0.339 135 HZ PHE 22 HZ PHE 22 2.662 -0.099 -1.013 136 H ASN 23 H ASN 23 -0.381 -7.015 -0.554 137 HA ASN 23 HA ASN 23 -2.751 -8.544 -0.291 138 HB2 ASN 23 1HB ASN 23 -1.254 -10.455 0.027 139 HB3 ASN 23 2HB ASN 23 -0.691 -9.443 -1.300 140 HD21 ASN 23 1HD2 ASN 23 0.492 -11.301 0.911 141 HD22 ASN 23 2HD2 ASN 23 1.892 -10.425 1.419 142 H THR 24 H THR 24 -0.181 -7.719 2.026 143 HA THR 24 HA THR 24 -2.042 -8.428 4.200 144 HB THR 24 HB THR 24 -0.046 -8.861 5.610 145 HG1 THR 24 HG1 THR 24 1.232 -8.074 3.250 146 HG21 THR 24 3HG2 THR 24 0.573 -11.002 4.572 147 HG22 THR 24 1HG2 THR 24 -0.177 -10.483 3.064 148 HG23 THR 24 2HG2 THR 24 -1.167 -10.725 4.504 149 H LYS 25 H LYS 25 -2.083 -7.098 6.041 150 HA LYS 25 HA LYS 25 -1.864 -4.342 5.561 151 HB2 LYS 25 1HB LYS 25 -3.388 -5.352 7.230 152 HB3 LYS 25 2HB LYS 25 -1.999 -5.765 8.227 153 HG2 LYS 25 1HG LYS 25 -2.825 -3.821 9.192 154 HG3 LYS 25 2HG LYS 25 -1.476 -3.258 8.202 155 HD2 LYS 25 1HD LYS 25 -3.063 -1.742 7.572 156 HD3 LYS 25 2HD LYS 25 -3.389 -3.009 6.387 157 HE2 LYS 25 1HE LYS 25 -5.275 -3.766 7.549 158 HE3 LYS 25 2HE LYS 25 -4.801 -2.941 9.033 159 HZ1 LYS 25 3HZ LYS 25 -6.201 -1.356 8.382 160 HZ2 LYS 25 1HZ LYS 25 -6.315 -1.960 6.806 161 HZ3 LYS 25 2HZ LYS 25 -5.044 -0.927 7.225 162 H SER 26 H SER 26 0.165 -6.495 7.541 163 HA SER 26 HA SER 26 1.967 -4.846 8.650 164 HB2 SER 26 1HB SER 26 2.769 -7.329 7.116 165 HB3 SER 26 2HB SER 26 3.645 -6.592 8.458 166 HG SER 26 HG SER 26 2.215 -8.452 8.938 167 H ASN 27 H ASN 27 2.277 -6.036 5.302 168 HA ASN 27 HA ASN 27 4.532 -4.576 4.592 169 HB2 ASN 27 1HB ASN 27 3.112 -6.410 3.310 170 HB3 ASN 27 2HB ASN 27 2.383 -4.993 2.561 171 HD21 ASN 27 1HD2 ASN 27 5.669 -5.926 3.531 172 HD22 ASN 27 2HD2 ASN 27 6.402 -5.564 2.009 173 H LEU 28 H LEU 28 1.106 -3.708 4.177 174 HA LEU 28 HA LEU 28 1.460 -1.239 2.954 175 HB2 LEU 28 1HB LEU 28 -0.716 -2.085 2.994 176 HB3 LEU 28 2HB LEU 28 -0.678 -2.349 4.736 177 HG LEU 28 HG LEU 28 -0.713 0.138 5.028 178 HD11 LEU 28 1HD1 LEU 28 -1.805 1.159 2.804 179 HD12 LEU 28 2HD1 LEU 28 -0.711 -0.020 2.081 180 HD13 LEU 28 3HD1 LEU 28 -0.078 1.227 3.155 181 HD21 LEU 28 3HD2 LEU 28 -3.119 -0.636 3.447 182 HD22 LEU 28 1HD2 LEU 28 -3.006 0.216 4.987 183 HD23 LEU 28 2HD2 LEU 28 -2.735 -1.526 4.922 184 H MET 29 H MET 29 0.833 -1.807 6.424 185 HA MET 29 HA MET 29 1.068 0.670 7.453 186 HB2 MET 29 1HB MET 29 2.405 -1.784 8.607 187 HB3 MET 29 2HB MET 29 1.994 -0.325 9.498 188 HG2 MET 29 1HG MET 29 -0.176 -1.741 8.051 189 HG3 MET 29 2HG MET 29 0.455 -2.463 9.530 190 HE1 MET 29 3HE MET 29 -2.169 1.146 8.953 191 HE2 MET 29 1HE MET 29 -0.480 1.580 8.689 192 HE3 MET 29 2HE MET 29 -1.213 0.279 7.750 193 H VAL 30 H VAL 30 3.850 -1.449 6.773 194 HA VAL 30 HA VAL 30 5.808 0.481 7.457 195 HB VAL 30 HB VAL 30 6.060 -1.946 5.675 196 HG11 VAL 30 1HG1 VAL 30 7.826 -0.055 5.552 197 HG12 VAL 30 2HG1 VAL 30 8.324 -0.646 7.138 198 HG13 VAL 30 3HG1 VAL 30 8.366 -1.723 5.741 199 HG21 VAL 30 3HG2 VAL 30 6.094 -1.540 8.607 200 HG22 VAL 30 1HG2 VAL 30 5.571 -2.932 7.659 201 HG23 VAL 30 2HG2 VAL 30 7.290 -2.651 7.940 202 H HIS 31 H HIS 31 4.297 -0.453 4.403 203 HA HIS 31 HA HIS 31 5.924 1.072 2.694 204 HB2 HIS 31 1HB HIS 31 4.597 -0.523 1.616 205 HB3 HIS 31 2HB HIS 31 3.140 -0.033 2.475 206 HD1 HIS 31 HD1 HIS 31 5.312 0.922 -0.429 207 HD2 HIS 31 HD2 HIS 31 1.706 2.042 1.303 208 HE1 HIS 31 HE1 HIS 31 4.216 2.458 -2.092 209 H GLN 32 H GLN 32 3.636 2.036 4.998 210 HA GLN 32 HA GLN 32 2.815 4.471 3.711 211 HB2 GLN 32 1HB GLN 32 2.539 3.505 6.560 212 HB3 GLN 32 2HB GLN 32 1.853 5.008 5.960 213 HG2 GLN 32 1HG GLN 32 0.614 3.623 4.257 214 HG3 GLN 32 2HG GLN 32 1.137 2.204 5.163 215 HE21 GLN 32 1HE2 GLN 32 -1.493 3.753 4.646 216 HE22 GLN 32 2HE2 GLN 32 -2.219 3.810 6.213 217 H ARG 33 H ARG 33 4.700 3.860 6.682 218 HA ARG 33 HA ARG 33 5.659 6.469 6.967 219 HB2 ARG 33 1HB ARG 33 7.423 5.435 8.403 220 HB3 ARG 33 2HB ARG 33 5.786 4.941 8.811 221 HG2 ARG 33 1HG ARG 33 6.242 2.898 7.332 222 HG3 ARG 33 2HG ARG 33 7.940 3.362 7.459 223 HD2 ARG 33 1HD ARG 33 6.313 3.172 9.946 224 HD3 ARG 33 2HD ARG 33 6.849 1.683 9.169 225 HE ARG 33 HE ARG 33 9.131 3.063 9.311 226 HH11 ARG 33 1HH1 ARG 33 6.656 2.464 11.685 227 HH12 ARG 33 2HH1 ARG 33 7.748 2.520 13.028 228 HH21 ARG 33 1HH2 ARG 33 10.579 3.140 11.072 229 HH22 ARG 33 2HH2 ARG 33 9.979 2.906 12.679 230 H THR 34 H THR 34 6.964 3.709 5.203 231 HA THR 34 HA THR 34 9.502 4.565 4.603 232 HB THR 34 HB THR 34 9.199 3.348 2.387 233 HG1 THR 34 HG1 THR 34 7.261 2.423 1.973 234 HG21 THR 34 3HG2 THR 34 10.126 2.105 4.159 235 HG22 THR 34 1HG2 THR 34 8.792 1.117 3.565 236 HG23 THR 34 2HG2 THR 34 8.599 2.064 5.040 237 H HIS 35 H HIS 35 6.515 5.348 2.837 238 HA HIS 35 HA HIS 35 7.303 6.731 0.700 239 HB2 HIS 35 1HB HIS 35 5.133 7.236 2.672 240 HB3 HIS 35 2HB HIS 35 5.464 8.503 1.494 241 HD1 HIS 35 HD1 HIS 35 5.846 7.084 -1.069 242 HD2 HIS 35 HD2 HIS 35 3.043 5.823 1.726 243 HE1 HIS 35 HE1 HIS 35 4.165 5.734 -2.364 244 H THR 36 H THR 36 7.048 8.319 3.887 245 HA THR 36 HA THR 36 8.214 10.740 3.163 246 HB THR 36 HB THR 36 8.776 10.986 5.601 247 HG1 THR 36 HG1 THR 36 9.092 9.031 6.446 248 HG21 THR 36 3HG2 THR 36 6.225 10.456 6.254 249 HG22 THR 36 1HG2 THR 36 6.094 10.398 4.497 250 HG23 THR 36 2HG2 THR 36 6.701 11.853 5.289 251 H GLY 37 H GLY 37 9.762 7.908 4.687 252 HA2 GLY 37 1HA GLY 37 11.953 7.312 3.592 253 HA3 GLY 37 2HA GLY 37 12.364 9.005 3.817 254 H GLU 38 H GLU 38 14.008 7.055 4.811 255 HA GLU 38 HA GLU 38 13.625 6.078 7.339 256 HB2 GLU 38 1HB GLU 38 15.627 5.560 6.104 257 HB3 GLU 38 2HB GLU 38 16.134 7.242 6.128 258 HG2 GLU 38 1HG GLU 38 16.269 7.069 8.623 259 HG3 GLU 38 2HG GLU 38 15.998 5.336 8.447 260 H SER 39 H SER 39 12.601 7.241 8.870 261 HA SER 39 HA SER 39 12.946 10.008 9.308 262 HB2 SER 39 1HB SER 39 11.765 7.791 10.974 263 HB3 SER 39 2HB SER 39 11.846 9.451 11.565 264 HG SER 39 HG SER 39 10.606 10.087 9.776 265 H GLY 40 H GLY 40 14.442 11.117 10.397 266 HA2 GLY 40 1HA GLY 40 16.163 9.653 12.294 267 HA3 GLY 40 2HA GLY 40 16.870 10.685 11.059 268 HA PRO 41 HA PRO 41 15.678 13.018 15.058 269 HB2 PRO 41 1HB PRO 41 18.117 13.119 16.246 270 HB3 PRO 41 2HB PRO 41 16.949 11.830 16.559 271 HG2 PRO 41 1HG PRO 41 19.329 11.828 14.744 272 HG3 PRO 41 2HG PRO 41 18.768 10.565 15.854 273 HD2 PRO 41 1HD PRO 41 18.295 10.477 13.189 274 HD3 PRO 41 2HD PRO 41 17.164 9.807 14.383 275 H SER 42 H SER 42 15.538 15.093 14.507 276 HA SER 42 HA SER 42 17.006 16.393 12.561 277 HB2 SER 42 1HB SER 42 15.643 17.629 14.967 278 HB3 SER 42 2HB SER 42 16.124 18.494 13.507 279 HG SER 42 HG SER 42 14.220 17.950 12.812 280 H SER 43 H SER 43 18.914 17.421 12.468 281 HA SER 43 HA SER 43 20.321 18.101 14.935 282 HB2 SER 43 1HB SER 43 22.376 16.980 14.220 283 HB3 SER 43 2HB SER 43 21.062 15.813 14.361 284 HG SER 43 HG SER 43 20.856 16.492 11.940 285 H GLY 44 H GLY 44 21.402 19.975 14.783 286 HA2 GLY 44 1HA GLY 44 21.180 21.529 12.393 287 HA3 GLY 44 2HA GLY 44 21.993 22.010 13.875 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -14.412 13.294 -18.904 2 HA2 GLY 1 1HA GLY 1 -15.964 12.704 -17.103 3 HA3 GLY 1 2HA GLY 1 -17.270 12.905 -18.262 4 H SER 2 H SER 2 -14.711 10.826 -17.145 5 HA SER 2 HA SER 2 -15.702 8.691 -18.918 6 HB2 SER 2 1HB SER 2 -13.541 7.635 -18.735 7 HB3 SER 2 2HB SER 2 -13.287 9.326 -19.168 8 HG SER 2 HG SER 2 -12.559 7.964 -16.903 9 H SER 3 H SER 3 -15.141 6.438 -17.840 10 HA SER 3 HA SER 3 -15.831 6.470 -14.995 11 HB2 SER 3 1HB SER 3 -17.979 6.254 -16.083 12 HB3 SER 3 2HB SER 3 -17.368 4.972 -17.128 13 HG SER 3 HG SER 3 -17.424 3.580 -15.489 14 H GLY 4 H GLY 4 -15.305 4.537 -13.868 15 HA2 GLY 4 1HA GLY 4 -13.498 2.740 -15.365 16 HA3 GLY 4 2HA GLY 4 -13.108 3.336 -13.758 17 H SER 5 H SER 5 -16.172 2.091 -15.050 18 HA SER 5 HA SER 5 -16.953 0.697 -12.815 19 HB2 SER 5 1HB SER 5 -17.510 0.185 -15.736 20 HB3 SER 5 2HB SER 5 -18.271 -0.758 -14.453 21 HG SER 5 HG SER 5 -19.672 0.818 -14.500 22 H SER 6 H SER 6 -15.194 -0.617 -15.619 23 HA SER 6 HA SER 6 -14.823 -3.179 -14.409 24 HB2 SER 6 1HB SER 6 -14.884 -2.975 -16.834 25 HB3 SER 6 2HB SER 6 -13.482 -1.906 -16.807 26 HG SER 6 HG SER 6 -12.678 -3.894 -17.246 27 H GLY 7 H GLY 7 -12.711 -4.133 -13.931 28 HA2 GLY 7 1HA GLY 7 -10.343 -2.704 -13.600 29 HA3 GLY 7 2HA GLY 7 -11.245 -2.547 -12.100 30 H THR 8 H THR 8 -9.847 -3.731 -10.842 31 HA THR 8 HA THR 8 -9.802 -6.619 -11.410 32 HB THR 8 HB THR 8 -7.529 -6.744 -10.427 33 HG1 THR 8 HG1 THR 8 -7.774 -4.623 -9.334 34 HG21 THR 8 3HG2 THR 8 -8.217 -5.481 -12.971 35 HG22 THR 8 1HG2 THR 8 -7.096 -6.798 -12.629 36 HG23 THR 8 2HG2 THR 8 -6.577 -5.124 -12.430 37 H GLY 9 H GLY 9 -9.320 -7.934 -9.440 38 HA2 GLY 9 1HA GLY 9 -11.145 -7.636 -7.451 39 HA3 GLY 9 2HA GLY 9 -9.613 -8.465 -7.212 40 H GLU 10 H GLU 10 -11.329 -6.661 -5.484 41 HA GLU 10 HA GLU 10 -9.478 -4.457 -4.984 42 HB2 GLU 10 1HB GLU 10 -11.209 -3.681 -3.382 43 HB3 GLU 10 2HB GLU 10 -11.814 -3.857 -5.024 44 HG2 GLU 10 1HG GLU 10 -12.995 -5.819 -4.492 45 HG3 GLU 10 2HG GLU 10 -12.148 -6.005 -2.957 46 H LYS 11 H LYS 11 -8.516 -4.096 -2.956 47 HA LYS 11 HA LYS 11 -8.283 -6.517 -1.291 48 HB2 LYS 11 1HB LYS 11 -6.250 -4.324 -1.743 49 HB3 LYS 11 2HB LYS 11 -6.032 -5.710 -0.682 50 HG2 LYS 11 1HG LYS 11 -6.529 -5.943 -3.639 51 HG3 LYS 11 2HG LYS 11 -4.921 -5.887 -2.914 52 HD2 LYS 11 1HD LYS 11 -6.877 -7.862 -1.853 53 HD3 LYS 11 2HD LYS 11 -6.137 -8.181 -3.424 54 HE2 LYS 11 1HE LYS 11 -3.920 -7.981 -2.429 55 HE3 LYS 11 2HE LYS 11 -4.643 -7.615 -0.863 56 HZ1 LYS 11 3HZ LYS 11 -5.174 -9.761 -0.506 57 HZ2 LYS 11 1HZ LYS 11 -3.910 -10.054 -1.591 58 HZ3 LYS 11 2HZ LYS 11 -5.512 -10.082 -2.132 59 HA PRO 12 HA PRO 12 -9.907 -4.262 2.118 60 HB2 PRO 12 1HB PRO 12 -8.763 -5.636 4.161 61 HB3 PRO 12 2HB PRO 12 -10.088 -6.287 3.187 62 HG2 PRO 12 1HG PRO 12 -7.148 -6.809 2.977 63 HG3 PRO 12 2HG PRO 12 -8.497 -7.955 2.875 64 HD2 PRO 12 1HD PRO 12 -7.223 -7.007 0.682 65 HD3 PRO 12 2HD PRO 12 -8.950 -7.421 0.679 66 H TYR 13 H TYR 13 -6.592 -4.352 1.366 67 HA TYR 13 HA TYR 13 -6.032 -2.252 3.358 68 HB2 TYR 13 1HB TYR 13 -3.966 -4.029 2.059 69 HB3 TYR 13 2HB TYR 13 -3.749 -2.953 3.435 70 HD1 TYR 13 HD2 TYR 13 -4.773 -3.542 5.630 71 HD2 TYR 13 HD1 TYR 13 -4.786 -6.244 2.343 72 HE1 TYR 13 HE2 TYR 13 -5.266 -5.398 7.165 73 HE2 TYR 13 HE1 TYR 13 -5.281 -8.108 3.869 74 HH TYR 13 HH TYR 13 -4.828 -8.053 7.045 75 H GLU 14 H GLU 14 -5.867 -0.301 2.497 76 HA GLU 14 HA GLU 14 -4.612 -0.017 -0.145 77 HB2 GLU 14 1HB GLU 14 -7.288 0.947 0.742 78 HB3 GLU 14 2HB GLU 14 -6.347 1.993 -0.313 79 HG2 GLU 14 1HG GLU 14 -6.245 0.290 -2.001 80 HG3 GLU 14 2HG GLU 14 -7.028 -0.872 -0.931 81 H CYS 15 H CYS 15 -3.223 1.665 -0.354 82 HA CYS 15 HA CYS 15 -2.311 2.957 2.019 83 HB2 CYS 15 1HB CYS 15 -1.030 2.280 -0.185 84 HB3 CYS 15 2HB CYS 15 -1.502 3.895 -0.703 85 H ASN 16 H ASN 16 -2.449 5.098 2.627 86 HA ASN 16 HA ASN 16 -4.643 6.593 1.386 87 HB2 ASN 16 1HB ASN 16 -4.924 7.721 3.438 88 HB3 ASN 16 2HB ASN 16 -4.576 6.056 3.894 89 HD21 ASN 16 1HD2 ASN 16 -4.070 8.974 4.931 90 HD22 ASN 16 2HD2 ASN 16 -2.460 8.863 5.548 91 H GLU 17 H GLU 17 -1.739 6.403 0.489 92 HA GLU 17 HA GLU 17 -1.283 9.307 0.320 93 HB2 GLU 17 1HB GLU 17 0.729 7.115 0.793 94 HB3 GLU 17 2HB GLU 17 1.195 8.694 0.177 95 HG2 GLU 17 1HG GLU 17 0.482 9.778 2.158 96 HG3 GLU 17 2HG GLU 17 -0.317 8.320 2.744 97 H CYS 18 H CYS 18 -0.330 6.198 -1.146 98 HA CYS 18 HA CYS 18 -0.211 7.528 -3.759 99 HB2 CYS 18 1HB CYS 18 1.045 5.577 -4.515 100 HB3 CYS 18 2HB CYS 18 1.782 6.254 -3.066 101 H GLN 19 H GLN 19 -2.282 5.687 -1.898 102 HA GLN 19 HA GLN 19 -4.255 4.637 -2.320 103 HB2 GLN 19 1HB GLN 19 -3.900 5.839 -5.071 104 HB3 GLN 19 2HB GLN 19 -5.378 5.093 -4.478 105 HG2 GLN 19 1HG GLN 19 -4.064 7.595 -3.450 106 HG3 GLN 19 2HG GLN 19 -5.592 7.466 -4.321 107 HE21 GLN 19 1HE2 GLN 19 -4.811 8.479 -1.597 108 HE22 GLN 19 2HE2 GLN 19 -5.900 7.686 -0.516 109 H LYS 20 H LYS 20 -2.074 3.027 -2.373 110 HA LYS 20 HA LYS 20 -2.347 1.323 -4.742 111 HB2 LYS 20 1HB LYS 20 -0.240 1.712 -2.672 112 HB3 LYS 20 2HB LYS 20 -0.374 0.124 -3.417 113 HG2 LYS 20 1HG LYS 20 -0.006 1.050 -5.597 114 HG3 LYS 20 2HG LYS 20 -0.058 2.693 -4.954 115 HD2 LYS 20 1HD LYS 20 2.210 2.358 -5.083 116 HD3 LYS 20 2HD LYS 20 1.896 1.820 -3.432 117 HE2 LYS 20 1HE LYS 20 2.071 -0.433 -4.006 118 HE3 LYS 20 2HE LYS 20 1.823 -0.112 -5.722 119 HZ1 LYS 20 3HZ LYS 20 4.046 -0.366 -5.770 120 HZ2 LYS 20 1HZ LYS 20 4.256 0.038 -4.140 121 HZ3 LYS 20 2HZ LYS 20 4.054 1.258 -5.294 122 H ALA 21 H ALA 21 -1.932 -1.128 -4.059 123 HA ALA 21 HA ALA 21 -3.728 -1.764 -1.815 124 HB1 ALA 21 3HB ALA 21 -4.912 -3.363 -3.066 125 HB2 ALA 21 1HB ALA 21 -4.806 -1.947 -4.112 126 HB3 ALA 21 2HB ALA 21 -3.739 -3.325 -4.382 127 H PHE 22 H PHE 22 -3.168 -3.497 -0.572 128 HA PHE 22 HA PHE 22 -0.829 -5.073 -1.400 129 HB2 PHE 22 1HB PHE 22 -1.263 -3.871 1.342 130 HB3 PHE 22 2HB PHE 22 0.052 -4.955 0.899 131 HD1 PHE 22 HD2 PHE 22 -1.422 -1.634 0.166 132 HD2 PHE 22 HD1 PHE 22 2.026 -4.123 -0.023 133 HE1 PHE 22 HE2 PHE 22 -0.067 0.301 -0.523 134 HE2 PHE 22 HE1 PHE 22 3.387 -2.192 -0.711 135 HZ PHE 22 HZ PHE 22 2.340 0.023 -0.963 136 H ASN 23 H ASN 23 -0.557 -7.056 -0.013 137 HA ASN 23 HA ASN 23 -3.133 -8.368 0.210 138 HB2 ASN 23 1HB ASN 23 -0.576 -9.751 0.895 139 HB3 ASN 23 2HB ASN 23 -1.994 -10.370 0.053 140 HD21 ASN 23 1HD2 ASN 23 1.138 -9.366 -0.295 141 HD22 ASN 23 2HD2 ASN 23 1.152 -9.087 -2.000 142 H THR 24 H THR 24 -0.300 -7.851 2.304 143 HA THR 24 HA THR 24 -1.964 -8.504 4.634 144 HB THR 24 HB THR 24 0.102 -8.752 5.891 145 HG1 THR 24 HG1 THR 24 2.094 -8.382 4.923 146 HG21 THR 24 3HG2 THR 24 -0.746 -10.652 4.509 147 HG22 THR 24 1HG2 THR 24 0.990 -10.708 4.814 148 HG23 THR 24 2HG2 THR 24 0.386 -10.175 3.245 149 H LYS 25 H LYS 25 -1.691 -7.183 6.583 150 HA LYS 25 HA LYS 25 -1.897 -4.389 5.952 151 HB2 LYS 25 1HB LYS 25 -3.307 -5.550 7.666 152 HB3 LYS 25 2HB LYS 25 -1.874 -5.704 8.674 153 HG2 LYS 25 1HG LYS 25 -1.777 -3.085 8.287 154 HG3 LYS 25 2HG LYS 25 -3.510 -3.314 8.047 155 HD2 LYS 25 1HD LYS 25 -2.198 -4.571 10.412 156 HD3 LYS 25 2HD LYS 25 -2.531 -2.838 10.439 157 HE2 LYS 25 1HE LYS 25 -4.895 -3.323 9.906 158 HE3 LYS 25 2HE LYS 25 -4.535 -5.047 9.986 159 HZ1 LYS 25 3HZ LYS 25 -4.171 -4.944 12.262 160 HZ2 LYS 25 1HZ LYS 25 -5.502 -3.923 12.046 161 HZ3 LYS 25 2HZ LYS 25 -3.959 -3.266 12.268 162 H SER 26 H SER 26 0.372 -6.416 7.772 163 HA SER 26 HA SER 26 2.032 -4.523 8.854 164 HB2 SER 26 1HB SER 26 2.454 -6.801 9.378 165 HB3 SER 26 2HB SER 26 2.666 -7.230 7.681 166 HG SER 26 HG SER 26 4.370 -5.476 9.122 167 H ASN 27 H ASN 27 2.498 -6.053 5.664 168 HA ASN 27 HA ASN 27 4.657 -4.599 4.787 169 HB2 ASN 27 1HB ASN 27 2.319 -5.787 3.314 170 HB3 ASN 27 2HB ASN 27 3.593 -4.932 2.450 171 HD21 ASN 27 1HD2 ASN 27 2.666 -7.831 2.715 172 HD22 ASN 27 2HD2 ASN 27 4.136 -8.701 2.975 173 H LEU 28 H LEU 28 1.222 -3.766 4.369 174 HA LEU 28 HA LEU 28 1.582 -1.366 2.996 175 HB2 LEU 28 1HB LEU 28 -0.585 -2.266 3.057 176 HB3 LEU 28 2HB LEU 28 -0.583 -2.364 4.817 177 HG LEU 28 HG LEU 28 -0.642 0.138 4.872 178 HD11 LEU 28 1HD1 LEU 28 -0.780 1.423 3.012 179 HD12 LEU 28 2HD1 LEU 28 -1.605 0.179 2.075 180 HD13 LEU 28 3HD1 LEU 28 0.138 0.084 2.323 181 HD21 LEU 28 3HD2 LEU 28 -2.662 -1.645 4.702 182 HD22 LEU 28 1HD2 LEU 28 -3.038 -0.600 3.331 183 HD23 LEU 28 2HD2 LEU 28 -2.892 0.087 4.949 184 H MET 29 H MET 29 1.137 -1.887 6.493 185 HA MET 29 HA MET 29 1.233 0.668 7.429 186 HB2 MET 29 1HB MET 29 2.359 -1.884 8.539 187 HB3 MET 29 2HB MET 29 2.556 -0.369 9.409 188 HG2 MET 29 1HG MET 29 0.044 -0.116 9.259 189 HG3 MET 29 2HG MET 29 0.008 -1.791 8.715 190 HE1 MET 29 3HE MET 29 1.678 -3.587 11.817 191 HE2 MET 29 1HE MET 29 0.807 -3.887 10.313 192 HE3 MET 29 2HE MET 29 2.359 -3.049 10.281 193 H VAL 30 H VAL 30 4.095 -1.389 6.876 194 HA VAL 30 HA VAL 30 5.982 0.641 7.423 195 HB VAL 30 HB VAL 30 6.326 -1.847 5.744 196 HG11 VAL 30 1HG1 VAL 30 8.281 0.120 6.894 197 HG12 VAL 30 2HG1 VAL 30 8.748 -1.534 6.494 198 HG13 VAL 30 3HG1 VAL 30 8.144 -0.458 5.234 199 HG21 VAL 30 3HG2 VAL 30 5.883 -2.822 7.733 200 HG22 VAL 30 1HG2 VAL 30 7.555 -2.382 8.082 201 HG23 VAL 30 2HG2 VAL 30 6.237 -1.358 8.651 202 H HIS 31 H HIS 31 4.367 -0.398 4.479 203 HA HIS 31 HA HIS 31 5.969 1.056 2.659 204 HB2 HIS 31 1HB HIS 31 4.642 -0.660 1.730 205 HB3 HIS 31 2HB HIS 31 3.180 -0.069 2.515 206 HD1 HIS 31 HD1 HIS 31 5.314 0.416 -0.491 207 HD2 HIS 31 HD2 HIS 31 1.925 2.103 1.219 208 HE1 HIS 31 HE1 HIS 31 4.312 1.871 -2.281 209 H GLN 32 H GLN 32 3.645 2.045 4.934 210 HA GLN 32 HA GLN 32 2.761 4.404 3.558 211 HB2 GLN 32 1HB GLN 32 2.514 3.501 6.427 212 HB3 GLN 32 2HB GLN 32 1.839 5.011 5.831 213 HG2 GLN 32 1HG GLN 32 0.635 3.551 4.097 214 HG3 GLN 32 2HG GLN 32 1.048 2.205 5.159 215 HE21 GLN 32 1HE2 GLN 32 -1.531 2.586 4.746 216 HE22 GLN 32 2HE2 GLN 32 -2.302 3.300 6.117 217 H ARG 33 H ARG 33 4.870 3.831 6.375 218 HA ARG 33 HA ARG 33 5.711 6.532 6.579 219 HB2 ARG 33 1HB ARG 33 7.389 5.693 8.142 220 HB3 ARG 33 2HB ARG 33 5.819 4.971 8.470 221 HG2 ARG 33 1HG ARG 33 6.727 3.057 6.925 222 HG3 ARG 33 2HG ARG 33 8.293 3.724 7.391 223 HD2 ARG 33 1HD ARG 33 6.242 3.149 9.485 224 HD3 ARG 33 2HD ARG 33 7.194 1.827 8.810 225 HE ARG 33 HE ARG 33 8.765 4.065 9.708 226 HH11 ARG 33 1HH1 ARG 33 7.251 1.065 10.617 227 HH12 ARG 33 2HH1 ARG 33 8.304 0.791 11.966 228 HH21 ARG 33 1HH2 ARG 33 10.157 3.716 11.481 229 HH22 ARG 33 2HH2 ARG 33 9.956 2.301 12.457 230 H THR 34 H THR 34 7.061 3.678 5.000 231 HA THR 34 HA THR 34 9.578 4.532 4.331 232 HB THR 34 HB THR 34 9.362 3.141 2.257 233 HG1 THR 34 HG1 THR 34 6.679 3.292 3.024 234 HG21 THR 34 3HG2 THR 34 8.280 1.176 3.946 235 HG22 THR 34 1HG2 THR 34 9.103 2.323 5.002 236 HG23 THR 34 2HG2 THR 34 9.984 1.547 3.686 237 H HIS 35 H HIS 35 6.524 5.387 2.789 238 HA HIS 35 HA HIS 35 7.148 6.535 0.460 239 HB2 HIS 35 1HB HIS 35 5.297 7.379 2.634 240 HB3 HIS 35 2HB HIS 35 5.572 8.512 1.315 241 HD1 HIS 35 HD1 HIS 35 5.578 6.725 -1.104 242 HD2 HIS 35 HD2 HIS 35 2.920 6.231 2.051 243 HE1 HIS 35 HE1 HIS 35 3.621 5.470 -2.063 244 H THR 36 H THR 36 7.798 8.013 3.615 245 HA THR 36 HA THR 36 9.132 10.276 2.389 246 HB THR 36 HB THR 36 9.578 10.982 4.740 247 HG1 THR 36 HG1 THR 36 7.834 8.977 5.645 248 HG21 THR 36 3HG2 THR 36 7.335 11.277 3.345 249 HG22 THR 36 1HG2 THR 36 7.484 11.859 5.002 250 HG23 THR 36 2HG2 THR 36 6.681 10.323 4.676 251 H GLY 37 H GLY 37 10.002 7.428 4.312 252 HA2 GLY 37 1HA GLY 37 12.044 6.245 3.898 253 HA3 GLY 37 2HA GLY 37 12.770 7.756 3.372 254 H GLU 38 H GLU 38 14.393 6.650 4.951 255 HA GLU 38 HA GLU 38 13.797 7.299 7.736 256 HB2 GLU 38 1HB GLU 38 14.984 5.133 6.815 257 HB3 GLU 38 2HB GLU 38 16.413 6.157 6.848 258 HG2 GLU 38 1HG GLU 38 16.499 5.130 8.902 259 HG3 GLU 38 2HG GLU 38 15.704 6.656 9.284 260 H SER 39 H SER 39 15.292 8.545 9.017 261 HA SER 39 HA SER 39 16.164 10.661 9.335 262 HB2 SER 39 1HB SER 39 18.098 9.079 9.211 263 HB3 SER 39 2HB SER 39 18.273 9.492 7.506 264 HG SER 39 HG SER 39 19.225 10.790 9.620 265 H GLY 40 H GLY 40 14.245 10.801 7.321 266 HA2 GLY 40 1HA GLY 40 15.360 12.192 5.044 267 HA3 GLY 40 2HA GLY 40 13.655 11.922 5.373 268 HA PRO 41 HA PRO 41 13.317 16.181 6.394 269 HB2 PRO 41 1HB PRO 41 11.059 16.095 7.899 270 HB3 PRO 41 2HB PRO 41 11.050 15.911 6.141 271 HG2 PRO 41 1HG PRO 41 10.931 13.806 8.266 272 HG3 PRO 41 2HG PRO 41 10.001 13.930 6.761 273 HD2 PRO 41 1HD PRO 41 12.150 12.302 7.016 274 HD3 PRO 41 2HD PRO 41 11.721 13.084 5.481 275 H SER 42 H SER 42 14.356 17.370 7.859 276 HA SER 42 HA SER 42 14.321 16.515 10.673 277 HB2 SER 42 1HB SER 42 16.734 17.366 9.060 278 HB3 SER 42 2HB SER 42 16.724 17.272 10.821 279 HG SER 42 HG SER 42 16.122 15.113 9.079 280 H SER 43 H SER 43 12.827 18.095 11.211 281 HA SER 43 HA SER 43 13.699 20.884 10.842 282 HB2 SER 43 1HB SER 43 11.577 20.626 9.810 283 HB3 SER 43 2HB SER 43 10.952 19.674 11.156 284 HG SER 43 HG SER 43 11.367 22.443 10.968 285 H GLY 44 H GLY 44 12.093 18.718 13.169 286 HA2 GLY 44 1HA GLY 44 13.617 19.809 15.346 287 HA3 GLY 44 2HA GLY 44 11.938 20.327 15.374 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.081 -8.832 -21.413 2 HA2 GLY 1 1HA GLY 1 3.121 -8.884 -19.364 3 HA3 GLY 1 2HA GLY 1 3.316 -10.083 -20.635 4 H SER 2 H SER 2 3.388 -9.606 -17.366 5 HA SER 2 HA SER 2 4.590 -12.211 -16.933 6 HB2 SER 2 1HB SER 2 5.652 -9.775 -15.483 7 HB3 SER 2 2HB SER 2 6.168 -11.444 -15.243 8 HG SER 2 HG SER 2 6.526 -11.169 -17.727 9 H SER 3 H SER 3 4.431 -12.805 -14.538 10 HA SER 3 HA SER 3 1.723 -12.322 -13.711 11 HB2 SER 3 1HB SER 3 3.212 -14.493 -13.491 12 HB3 SER 3 2HB SER 3 3.690 -13.749 -11.965 13 HG SER 3 HG SER 3 1.395 -15.020 -12.600 14 H GLY 4 H GLY 4 0.985 -11.155 -11.993 15 HA2 GLY 4 1HA GLY 4 3.002 -9.677 -10.422 16 HA3 GLY 4 2HA GLY 4 1.597 -8.869 -11.102 17 H SER 5 H SER 5 -0.480 -9.330 -10.245 18 HA SER 5 HA SER 5 -0.636 -10.948 -7.835 19 HB2 SER 5 1HB SER 5 0.032 -8.911 -6.809 20 HB3 SER 5 2HB SER 5 -1.023 -7.954 -7.849 21 HG SER 5 HG SER 5 -1.843 -8.302 -5.694 22 H SER 6 H SER 6 -2.705 -11.628 -7.342 23 HA SER 6 HA SER 6 -4.618 -11.398 -9.499 24 HB2 SER 6 1HB SER 6 -4.067 -13.540 -8.194 25 HB3 SER 6 2HB SER 6 -5.055 -12.864 -6.899 26 HG SER 6 HG SER 6 -6.816 -12.869 -8.268 27 H GLY 7 H GLY 7 -5.466 -9.345 -9.461 28 HA2 GLY 7 1HA GLY 7 -6.879 -8.561 -6.989 29 HA3 GLY 7 2HA GLY 7 -6.242 -7.422 -8.166 30 H THR 8 H THR 8 -8.528 -10.145 -7.955 31 HA THR 8 HA THR 8 -10.009 -9.418 -10.246 32 HB THR 8 HB THR 8 -10.965 -11.026 -7.870 33 HG1 THR 8 HG1 THR 8 -10.372 -12.738 -9.586 34 HG21 THR 8 3HG2 THR 8 -12.733 -11.749 -9.149 35 HG22 THR 8 1HG2 THR 8 -11.901 -11.438 -10.672 36 HG23 THR 8 2HG2 THR 8 -12.571 -10.097 -9.743 37 H GLY 9 H GLY 9 -10.892 -9.119 -6.795 38 HA2 GLY 9 1HA GLY 9 -12.887 -7.103 -7.541 39 HA3 GLY 9 2HA GLY 9 -12.793 -7.940 -5.998 40 H GLU 10 H GLU 10 -11.280 -7.245 -4.436 41 HA GLU 10 HA GLU 10 -9.592 -4.981 -4.910 42 HB2 GLU 10 1HB GLU 10 -12.015 -4.088 -4.663 43 HB3 GLU 10 2HB GLU 10 -11.817 -4.472 -2.958 44 HG2 GLU 10 1HG GLU 10 -9.754 -3.039 -2.985 45 HG3 GLU 10 2HG GLU 10 -10.231 -2.521 -4.601 46 H LYS 11 H LYS 11 -8.351 -4.378 -3.022 47 HA LYS 11 HA LYS 11 -8.052 -6.637 -1.186 48 HB2 LYS 11 1HB LYS 11 -6.235 -4.322 -1.862 49 HB3 LYS 11 2HB LYS 11 -5.877 -5.501 -0.608 50 HG2 LYS 11 1HG LYS 11 -6.358 -6.234 -3.484 51 HG3 LYS 11 2HG LYS 11 -4.761 -5.907 -2.808 52 HD2 LYS 11 1HD LYS 11 -5.399 -7.689 -1.047 53 HD3 LYS 11 2HD LYS 11 -6.646 -8.160 -2.205 54 HE2 LYS 11 1HE LYS 11 -3.783 -7.873 -3.046 55 HE3 LYS 11 2HE LYS 11 -4.358 -9.353 -2.282 56 HZ1 LYS 11 3HZ LYS 11 -4.740 -9.866 -4.444 57 HZ2 LYS 11 1HZ LYS 11 -4.980 -8.260 -4.919 58 HZ3 LYS 11 2HZ LYS 11 -6.211 -9.097 -4.116 59 HA PRO 12 HA PRO 12 -9.784 -4.465 2.226 60 HB2 PRO 12 1HB PRO 12 -8.519 -5.746 4.258 61 HB3 PRO 12 2HB PRO 12 -9.813 -6.490 3.312 62 HG2 PRO 12 1HG PRO 12 -6.849 -6.819 3.055 63 HG3 PRO 12 2HG PRO 12 -8.122 -8.052 2.984 64 HD2 PRO 12 1HD PRO 12 -6.949 -7.039 0.763 65 HD3 PRO 12 2HD PRO 12 -8.644 -7.566 0.792 66 H TYR 13 H TYR 13 -6.483 -4.343 1.419 67 HA TYR 13 HA TYR 13 -6.047 -2.169 3.361 68 HB2 TYR 13 1HB TYR 13 -3.834 -3.805 2.135 69 HB3 TYR 13 2HB TYR 13 -3.763 -2.757 3.547 70 HD1 TYR 13 HD2 TYR 13 -5.138 -3.476 5.605 71 HD2 TYR 13 HD1 TYR 13 -4.186 -6.096 2.391 72 HE1 TYR 13 HE2 TYR 13 -5.553 -5.410 7.067 73 HE2 TYR 13 HE1 TYR 13 -4.600 -8.037 3.844 74 HH TYR 13 HH TYR 13 -6.251 -7.918 6.645 75 H GLU 14 H GLU 14 -5.916 -0.235 2.459 76 HA GLU 14 HA GLU 14 -4.665 0.029 -0.182 77 HB2 GLU 14 1HB GLU 14 -7.402 0.909 0.632 78 HB3 GLU 14 2HB GLU 14 -6.499 1.896 -0.509 79 HG2 GLU 14 1HG GLU 14 -6.245 -0.073 -1.967 80 HG3 GLU 14 2HG GLU 14 -7.235 -1.002 -0.843 81 H CYS 15 H CYS 15 -3.066 1.448 -0.099 82 HA CYS 15 HA CYS 15 -2.414 2.977 2.136 83 HB2 CYS 15 1HB CYS 15 -1.026 2.288 0.000 84 HB3 CYS 15 2HB CYS 15 -1.538 3.869 -0.582 85 H ASN 16 H ASN 16 -1.973 5.477 1.818 86 HA ASN 16 HA ASN 16 -4.532 6.682 0.989 87 HB2 ASN 16 1HB ASN 16 -2.761 7.186 3.352 88 HB3 ASN 16 2HB ASN 16 -3.746 8.501 2.718 89 HD21 ASN 16 1HD2 ASN 16 -3.659 5.845 4.748 90 HD22 ASN 16 2HD2 ASN 16 -5.352 5.702 5.062 91 H GLU 17 H GLU 17 -1.041 7.237 1.278 92 HA GLU 17 HA GLU 17 -1.050 9.691 -0.157 93 HB2 GLU 17 1HB GLU 17 1.059 7.760 0.725 94 HB3 GLU 17 2HB GLU 17 1.474 9.016 -0.433 95 HG2 GLU 17 1HG GLU 17 2.015 9.758 1.782 96 HG3 GLU 17 2HG GLU 17 0.672 10.713 1.158 97 H CYS 18 H CYS 18 0.024 6.418 -1.087 98 HA CYS 18 HA CYS 18 0.040 7.215 -3.889 99 HB2 CYS 18 1HB CYS 18 1.105 5.077 -4.311 100 HB3 CYS 18 2HB CYS 18 1.913 5.874 -2.966 101 H GLN 19 H GLN 19 -1.983 5.609 -1.645 102 HA GLN 19 HA GLN 19 -4.001 4.575 -1.822 103 HB2 GLN 19 1HB GLN 19 -3.945 6.007 -4.477 104 HB3 GLN 19 2HB GLN 19 -5.342 5.110 -3.899 105 HG2 GLN 19 1HG GLN 19 -4.093 7.348 -2.336 106 HG3 GLN 19 2HG GLN 19 -5.365 7.605 -3.528 107 HE21 GLN 19 1HE2 GLN 19 -5.381 8.088 -0.656 108 HE22 GLN 19 2HE2 GLN 19 -6.690 7.158 -0.020 109 H LYS 20 H LYS 20 -1.778 2.999 -2.379 110 HA LYS 20 HA LYS 20 -2.448 1.400 -4.723 111 HB2 LYS 20 1HB LYS 20 -0.127 1.506 -2.833 112 HB3 LYS 20 2HB LYS 20 -0.392 0.061 -3.801 113 HG2 LYS 20 1HG LYS 20 -0.287 1.409 -5.839 114 HG3 LYS 20 2HG LYS 20 -0.011 2.854 -4.863 115 HD2 LYS 20 1HD LYS 20 2.111 2.141 -4.195 116 HD3 LYS 20 2HD LYS 20 1.784 0.462 -4.631 117 HE2 LYS 20 1HE LYS 20 1.713 1.145 -7.012 118 HE3 LYS 20 2HE LYS 20 2.160 2.779 -6.526 119 HZ1 LYS 20 3HZ LYS 20 3.781 0.326 -6.490 120 HZ2 LYS 20 1HZ LYS 20 4.138 1.572 -5.403 121 HZ3 LYS 20 2HZ LYS 20 4.180 1.864 -7.068 122 H ALA 21 H ALA 21 -1.987 -1.108 -4.180 123 HA ALA 21 HA ALA 21 -3.722 -1.787 -1.894 124 HB1 ALA 21 3HB ALA 21 -5.110 -2.318 -3.638 125 HB2 ALA 21 1HB ALA 21 -3.778 -2.739 -4.715 126 HB3 ALA 21 2HB ALA 21 -4.258 -3.848 -3.430 127 H PHE 22 H PHE 22 -3.105 -3.453 -0.595 128 HA PHE 22 HA PHE 22 -0.638 -4.887 -1.321 129 HB2 PHE 22 1HB PHE 22 -1.367 -3.659 1.341 130 HB3 PHE 22 2HB PHE 22 -0.067 -4.830 1.141 131 HD1 PHE 22 HD2 PHE 22 -1.242 -1.507 -0.024 132 HD2 PHE 22 HD1 PHE 22 2.063 -4.133 0.529 133 HE1 PHE 22 HE2 PHE 22 0.301 0.316 -0.614 134 HE2 PHE 22 HE1 PHE 22 3.611 -2.313 -0.059 135 HZ PHE 22 HZ PHE 22 2.731 -0.086 -0.633 136 H ASN 23 H ASN 23 -0.364 -6.965 -0.275 137 HA ASN 23 HA ASN 23 -2.808 -8.452 -0.228 138 HB2 ASN 23 1HB ASN 23 -1.123 -10.316 0.533 139 HB3 ASN 23 2HB ASN 23 -1.079 -9.708 -1.120 140 HD21 ASN 23 1HD2 ASN 23 0.904 -9.456 -1.814 141 HD22 ASN 23 2HD2 ASN 23 2.253 -8.906 -0.885 142 H THR 24 H THR 24 -0.330 -7.685 2.204 143 HA THR 24 HA THR 24 -2.282 -8.403 4.293 144 HB THR 24 HB THR 24 -0.331 -8.764 5.794 145 HG1 THR 24 HG1 THR 24 1.694 -8.584 5.036 146 HG21 THR 24 3HG2 THR 24 -1.362 -10.673 4.700 147 HG22 THR 24 1HG2 THR 24 0.384 -10.904 4.790 148 HG23 THR 24 2HG2 THR 24 -0.364 -10.421 3.268 149 H LYS 25 H LYS 25 -2.043 -7.180 6.340 150 HA LYS 25 HA LYS 25 -2.030 -4.372 5.809 151 HB2 LYS 25 1HB LYS 25 -3.391 -5.790 7.564 152 HB3 LYS 25 2HB LYS 25 -2.000 -5.470 8.591 153 HG2 LYS 25 1HG LYS 25 -2.338 -3.025 8.089 154 HG3 LYS 25 2HG LYS 25 -3.874 -3.478 7.347 155 HD2 LYS 25 1HD LYS 25 -4.201 -4.735 9.653 156 HD3 LYS 25 2HD LYS 25 -3.054 -3.513 10.207 157 HE2 LYS 25 1HE LYS 25 -4.629 -1.848 8.996 158 HE3 LYS 25 2HE LYS 25 -5.806 -3.158 9.081 159 HZ1 LYS 25 3HZ LYS 25 -6.252 -2.495 11.132 160 HZ2 LYS 25 1HZ LYS 25 -4.993 -1.364 11.112 161 HZ3 LYS 25 2HZ LYS 25 -4.693 -2.955 11.601 162 H SER 26 H SER 26 0.040 -6.528 7.734 163 HA SER 26 HA SER 26 1.789 -4.769 8.857 164 HB2 SER 26 1HB SER 26 3.520 -6.555 8.666 165 HB3 SER 26 2HB SER 26 1.969 -7.155 9.252 166 HG SER 26 HG SER 26 1.664 -7.530 6.811 167 H ASN 27 H ASN 27 1.897 -5.997 5.532 168 HA ASN 27 HA ASN 27 4.281 -4.762 4.746 169 HB2 ASN 27 1HB ASN 27 1.862 -5.748 3.273 170 HB3 ASN 27 2HB ASN 27 3.109 -4.856 2.405 171 HD21 ASN 27 1HD2 ASN 27 3.144 -7.316 4.965 172 HD22 ASN 27 2HD2 ASN 27 4.219 -8.393 4.148 173 H LEU 28 H LEU 28 0.924 -3.626 4.494 174 HA LEU 28 HA LEU 28 1.436 -1.205 3.202 175 HB2 LEU 28 1HB LEU 28 -0.797 -1.926 3.315 176 HB3 LEU 28 2HB LEU 28 -0.738 -2.100 5.068 177 HG LEU 28 HG LEU 28 -0.596 0.386 5.239 178 HD11 LEU 28 1HD1 LEU 28 -0.430 1.719 3.462 179 HD12 LEU 28 2HD1 LEU 28 -1.680 0.842 2.580 180 HD13 LEU 28 3HD1 LEU 28 -0.013 0.267 2.551 181 HD21 LEU 28 3HD2 LEU 28 -3.005 0.739 4.482 182 HD22 LEU 28 1HD2 LEU 28 -2.709 -0.543 5.657 183 HD23 LEU 28 2HD2 LEU 28 -2.965 -0.945 3.959 184 H MET 29 H MET 29 0.806 -1.673 6.687 185 HA MET 29 HA MET 29 1.302 0.806 7.649 186 HB2 MET 29 1HB MET 29 2.098 -1.863 8.804 187 HB3 MET 29 2HB MET 29 2.294 -0.358 9.692 188 HG2 MET 29 1HG MET 29 -0.360 -1.101 8.540 189 HG3 MET 29 2HG MET 29 0.183 -1.794 10.066 190 HE1 MET 29 3HE MET 29 -2.556 0.827 10.844 191 HE2 MET 29 1HE MET 29 -2.227 -0.813 10.282 192 HE3 MET 29 2HE MET 29 -1.753 -0.327 11.910 193 H VAL 30 H VAL 30 3.821 -1.661 7.117 194 HA VAL 30 HA VAL 30 6.000 -0.018 7.795 195 HB VAL 30 HB VAL 30 5.941 -2.401 5.938 196 HG11 VAL 30 1HG1 VAL 30 8.382 -1.680 7.440 197 HG12 VAL 30 2HG1 VAL 30 8.202 -2.374 5.827 198 HG13 VAL 30 3HG1 VAL 30 7.959 -0.644 6.077 199 HG21 VAL 30 3HG2 VAL 30 7.116 -2.843 8.530 200 HG22 VAL 30 1HG2 VAL 30 5.461 -2.254 8.687 201 HG23 VAL 30 2HG2 VAL 30 5.795 -3.702 7.738 202 H HIS 31 H HIS 31 4.468 -0.719 4.678 203 HA HIS 31 HA HIS 31 6.261 0.624 3.019 204 HB2 HIS 31 1HB HIS 31 4.742 -0.638 1.826 205 HB3 HIS 31 2HB HIS 31 3.378 -0.127 2.815 206 HD1 HIS 31 HD1 HIS 31 5.679 1.303 0.152 207 HD2 HIS 31 HD2 HIS 31 1.845 1.802 1.675 208 HE1 HIS 31 HE1 HIS 31 4.572 2.989 -1.351 209 H GLN 32 H GLN 32 3.173 1.850 4.323 210 HA GLN 32 HA GLN 32 3.049 4.362 3.443 211 HB2 GLN 32 1HB GLN 32 2.703 3.493 6.315 212 HB3 GLN 32 2HB GLN 32 2.190 5.057 5.696 213 HG2 GLN 32 1HG GLN 32 0.914 3.556 3.945 214 HG3 GLN 32 2HG GLN 32 1.040 2.362 5.235 215 HE21 GLN 32 1HE2 GLN 32 -1.277 2.463 5.308 216 HE22 GLN 32 2HE2 GLN 32 -2.058 3.730 6.185 217 H ARG 33 H ARG 33 5.254 3.299 6.005 218 HA ARG 33 HA ARG 33 6.342 5.686 6.800 219 HB2 ARG 33 1HB ARG 33 7.735 3.038 6.376 220 HB3 ARG 33 2HB ARG 33 8.448 4.399 7.232 221 HG2 ARG 33 1HG ARG 33 7.062 4.166 9.045 222 HG3 ARG 33 2HG ARG 33 5.795 3.371 8.108 223 HD2 ARG 33 1HD ARG 33 7.404 1.428 7.852 224 HD3 ARG 33 2HD ARG 33 8.394 2.213 9.081 225 HE ARG 33 HE ARG 33 5.868 0.859 9.476 226 HH11 ARG 33 1HH1 ARG 33 8.238 3.051 10.779 227 HH12 ARG 33 2HH1 ARG 33 7.748 2.810 12.424 228 HH21 ARG 33 1HH2 ARG 33 5.213 0.533 11.637 229 HH22 ARG 33 2HH2 ARG 33 6.028 1.377 12.910 230 H THR 34 H THR 34 7.453 3.675 4.079 231 HA THR 34 HA THR 34 9.586 4.986 3.125 232 HB THR 34 HB THR 34 8.954 4.390 0.851 233 HG1 THR 34 HG1 THR 34 6.375 4.235 2.000 234 HG21 THR 34 3HG2 THR 34 9.375 2.642 2.837 235 HG22 THR 34 1HG2 THR 34 9.078 2.142 1.172 236 HG23 THR 34 2HG2 THR 34 7.761 2.128 2.346 237 H HIS 35 H HIS 35 6.232 6.033 2.603 238 HA HIS 35 HA HIS 35 6.668 8.214 0.967 239 HB2 HIS 35 1HB HIS 35 4.612 7.732 3.118 240 HB3 HIS 35 2HB HIS 35 4.592 9.180 2.116 241 HD1 HIS 35 HD1 HIS 35 4.975 8.228 -0.644 242 HD2 HIS 35 HD2 HIS 35 2.771 6.041 2.116 243 HE1 HIS 35 HE1 HIS 35 3.473 6.743 -2.008 244 H THR 36 H THR 36 6.409 8.288 4.526 245 HA THR 36 HA THR 36 7.943 10.804 4.489 246 HB THR 36 HB THR 36 5.638 10.965 5.428 247 HG1 THR 36 HG1 THR 36 7.975 11.570 6.836 248 HG21 THR 36 3HG2 THR 36 4.905 9.335 6.760 249 HG22 THR 36 1HG2 THR 36 6.019 9.912 7.999 250 HG23 THR 36 2HG2 THR 36 6.522 8.642 6.882 251 H GLY 37 H GLY 37 9.318 8.383 4.309 252 HA2 GLY 37 1HA GLY 37 10.659 8.344 6.936 253 HA3 GLY 37 2HA GLY 37 10.291 6.844 6.097 254 H GLU 38 H GLU 38 12.867 7.397 6.835 255 HA GLU 38 HA GLU 38 14.512 8.765 5.110 256 HB2 GLU 38 1HB GLU 38 15.035 6.115 6.467 257 HB3 GLU 38 2HB GLU 38 16.275 7.117 5.724 258 HG2 GLU 38 1HG GLU 38 14.500 8.083 7.946 259 HG3 GLU 38 2HG GLU 38 16.055 7.300 8.219 260 H SER 39 H SER 39 13.546 5.346 4.826 261 HA SER 39 HA SER 39 14.800 4.944 2.321 262 HB2 SER 39 1HB SER 39 12.607 3.437 3.753 263 HB3 SER 39 2HB SER 39 13.295 2.904 2.219 264 HG SER 39 HG SER 39 15.036 2.266 3.224 265 H GLY 40 H GLY 40 14.215 5.618 0.370 266 HA2 GLY 40 1HA GLY 40 11.385 5.888 -0.292 267 HA3 GLY 40 2HA GLY 40 12.357 7.349 -0.386 268 HA PRO 41 HA PRO 41 13.870 4.213 -3.790 269 HB2 PRO 41 1HB PRO 41 12.002 2.386 -4.526 270 HB3 PRO 41 2HB PRO 41 13.207 2.076 -3.270 271 HG2 PRO 41 1HG PRO 41 10.341 2.894 -2.986 272 HG3 PRO 41 2HG PRO 41 11.255 1.685 -2.067 273 HD2 PRO 41 1HD PRO 41 10.764 4.172 -1.116 274 HD3 PRO 41 2HD PRO 41 12.242 3.273 -0.718 275 H SER 42 H SER 42 13.510 4.406 -6.035 276 HA SER 42 HA SER 42 12.134 6.604 -6.925 277 HB2 SER 42 1HB SER 42 13.874 5.210 -8.172 278 HB3 SER 42 2HB SER 42 12.540 4.164 -8.655 279 HG SER 42 HG SER 42 11.544 6.111 -9.514 280 H SER 43 H SER 43 11.062 3.229 -7.371 281 HA SER 43 HA SER 43 8.651 3.546 -8.531 282 HB2 SER 43 1HB SER 43 9.447 1.343 -7.958 283 HB3 SER 43 2HB SER 43 9.326 1.695 -6.234 284 HG SER 43 HG SER 43 7.478 0.656 -7.785 285 H GLY 44 H GLY 44 6.853 4.653 -8.139 286 HA2 GLY 44 1HA GLY 44 6.513 5.965 -5.573 287 HA3 GLY 44 2HA GLY 44 5.542 6.222 -7.015 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.065 7.595 -24.043 2 HA2 GLY 1 1HA GLY 1 -2.570 6.079 -26.178 3 HA3 GLY 1 2HA GLY 1 -1.203 5.218 -25.485 4 H SER 2 H SER 2 -2.235 3.372 -24.872 5 HA SER 2 HA SER 2 -4.706 3.476 -23.379 6 HB2 SER 2 1HB SER 2 -2.918 1.229 -24.298 7 HB3 SER 2 2HB SER 2 -4.295 0.946 -23.233 8 HG SER 2 HG SER 2 -5.308 0.809 -25.084 9 H SER 3 H SER 3 -4.358 4.425 -21.418 10 HA SER 3 HA SER 3 -2.291 3.252 -19.687 11 HB2 SER 3 1HB SER 3 -2.254 5.739 -20.089 12 HB3 SER 3 2HB SER 3 -3.801 5.836 -19.247 13 HG SER 3 HG SER 3 -2.646 5.927 -17.503 14 H GLY 4 H GLY 4 -2.859 2.039 -17.996 15 HA2 GLY 4 1HA GLY 4 -4.799 2.299 -16.159 16 HA3 GLY 4 2HA GLY 4 -5.680 1.576 -17.497 17 H SER 5 H SER 5 -4.703 0.688 -14.702 18 HA SER 5 HA SER 5 -3.068 -1.614 -15.363 19 HB2 SER 5 1HB SER 5 -4.311 -0.842 -12.713 20 HB3 SER 5 2HB SER 5 -3.059 -2.057 -12.967 21 HG SER 5 HG SER 5 -2.735 0.519 -12.526 22 H SER 6 H SER 6 -3.905 -3.456 -16.053 23 HA SER 6 HA SER 6 -6.717 -3.964 -15.989 24 HB2 SER 6 1HB SER 6 -4.312 -5.343 -17.076 25 HB3 SER 6 2HB SER 6 -5.752 -6.323 -16.800 26 HG SER 6 HG SER 6 -6.502 -5.511 -18.573 27 H GLY 7 H GLY 7 -7.459 -6.253 -15.293 28 HA2 GLY 7 1HA GLY 7 -7.812 -7.781 -13.611 29 HA3 GLY 7 2HA GLY 7 -6.148 -7.516 -13.113 30 H THR 8 H THR 8 -8.979 -7.630 -11.798 31 HA THR 8 HA THR 8 -9.017 -5.076 -10.410 32 HB THR 8 HB THR 8 -10.792 -7.491 -10.007 33 HG1 THR 8 HG1 THR 8 -12.154 -6.549 -11.444 34 HG21 THR 8 3HG2 THR 8 -12.243 -5.348 -9.224 35 HG22 THR 8 1HG2 THR 8 -10.626 -4.828 -8.749 36 HG23 THR 8 2HG2 THR 8 -11.286 -6.340 -8.124 37 H GLY 9 H GLY 9 -7.528 -4.829 -8.860 38 HA2 GLY 9 1HA GLY 9 -6.863 -7.128 -7.153 39 HA3 GLY 9 2HA GLY 9 -5.900 -5.668 -7.327 40 H GLU 10 H GLU 10 -9.337 -6.196 -6.556 41 HA GLU 10 HA GLU 10 -9.462 -4.110 -4.681 42 HB2 GLU 10 1HB GLU 10 -11.202 -6.467 -5.305 43 HB3 GLU 10 2HB GLU 10 -11.543 -5.489 -3.885 44 HG2 GLU 10 1HG GLU 10 -11.451 -3.496 -5.527 45 HG3 GLU 10 2HG GLU 10 -11.662 -4.728 -6.770 46 H LYS 11 H LYS 11 -7.850 -4.225 -3.154 47 HA LYS 11 HA LYS 11 -7.787 -6.598 -1.425 48 HB2 LYS 11 1HB LYS 11 -5.810 -4.342 -1.787 49 HB3 LYS 11 2HB LYS 11 -5.639 -5.612 -0.582 50 HG2 LYS 11 1HG LYS 11 -5.948 -6.294 -3.477 51 HG3 LYS 11 2HG LYS 11 -4.379 -5.824 -2.819 52 HD2 LYS 11 1HD LYS 11 -4.593 -7.621 -1.132 53 HD3 LYS 11 2HD LYS 11 -6.107 -8.118 -1.890 54 HE2 LYS 11 1HE LYS 11 -4.315 -9.529 -2.674 55 HE3 LYS 11 2HE LYS 11 -4.879 -8.510 -3.998 56 HZ1 LYS 11 3HZ LYS 11 -2.363 -8.775 -3.600 57 HZ2 LYS 11 1HZ LYS 11 -2.592 -7.660 -2.349 58 HZ3 LYS 11 2HZ LYS 11 -2.975 -7.235 -3.940 59 HA PRO 12 HA PRO 12 -9.751 -4.470 1.883 60 HB2 PRO 12 1HB PRO 12 -8.669 -5.785 3.998 61 HB3 PRO 12 2HB PRO 12 -9.881 -6.510 2.934 62 HG2 PRO 12 1HG PRO 12 -6.907 -6.850 2.926 63 HG3 PRO 12 2HG PRO 12 -8.174 -8.075 2.729 64 HD2 PRO 12 1HD PRO 12 -6.812 -7.038 0.631 65 HD3 PRO 12 2HD PRO 12 -8.505 -7.557 0.508 66 H TYR 13 H TYR 13 -6.399 -4.344 1.353 67 HA TYR 13 HA TYR 13 -6.126 -2.189 3.345 68 HB2 TYR 13 1HB TYR 13 -3.850 -3.897 2.342 69 HB3 TYR 13 2HB TYR 13 -3.847 -2.785 3.707 70 HD1 TYR 13 HD2 TYR 13 -5.120 -3.381 5.775 71 HD2 TYR 13 HD1 TYR 13 -4.556 -6.148 2.593 72 HE1 TYR 13 HE2 TYR 13 -5.697 -5.231 7.289 73 HE2 TYR 13 HE1 TYR 13 -5.133 -8.006 4.098 74 HH TYR 13 HH TYR 13 -6.726 -7.892 6.633 75 H GLU 14 H GLU 14 -6.050 -0.281 2.378 76 HA GLU 14 HA GLU 14 -4.567 -0.050 -0.157 77 HB2 GLU 14 1HB GLU 14 -7.276 0.935 0.579 78 HB3 GLU 14 2HB GLU 14 -6.281 1.979 -0.427 79 HG2 GLU 14 1HG GLU 14 -6.617 -0.885 -1.175 80 HG3 GLU 14 2HG GLU 14 -7.914 0.262 -1.506 81 H CYS 15 H CYS 15 -3.578 2.016 -0.555 82 HA CYS 15 HA CYS 15 -2.676 3.271 1.921 83 HB2 CYS 15 1HB CYS 15 -1.203 2.437 -0.117 84 HB3 CYS 15 2HB CYS 15 -1.588 4.033 -0.754 85 H ASN 16 H ASN 16 -3.429 5.166 2.587 86 HA ASN 16 HA ASN 16 -5.244 6.667 0.907 87 HB2 ASN 16 1HB ASN 16 -5.430 8.122 2.987 88 HB3 ASN 16 2HB ASN 16 -5.948 6.448 3.164 89 HD21 ASN 16 1HD2 ASN 16 -2.943 8.326 3.403 90 HD22 ASN 16 2HD2 ASN 16 -2.408 7.599 4.877 91 H GLU 17 H GLU 17 -2.300 6.543 0.349 92 HA GLU 17 HA GLU 17 -1.850 9.449 0.243 93 HB2 GLU 17 1HB GLU 17 0.176 7.294 0.856 94 HB3 GLU 17 2HB GLU 17 0.607 8.949 0.447 95 HG2 GLU 17 1HG GLU 17 -1.147 8.203 2.772 96 HG3 GLU 17 2HG GLU 17 0.597 8.434 2.885 97 H CYS 18 H CYS 18 -1.145 6.289 -1.179 98 HA CYS 18 HA CYS 18 -0.757 7.634 -3.772 99 HB2 CYS 18 1HB CYS 18 0.821 5.867 -4.393 100 HB3 CYS 18 2HB CYS 18 1.366 6.712 -2.948 101 H GLN 19 H GLN 19 -2.726 5.665 -2.010 102 HA GLN 19 HA GLN 19 -4.482 4.311 -2.515 103 HB2 GLN 19 1HB GLN 19 -4.006 5.580 -5.205 104 HB3 GLN 19 2HB GLN 19 -5.298 4.417 -4.939 105 HG2 GLN 19 1HG GLN 19 -4.996 6.928 -3.319 106 HG3 GLN 19 2HG GLN 19 -5.943 6.842 -4.803 107 HE21 GLN 19 1HE2 GLN 19 -6.589 7.255 -1.873 108 HE22 GLN 19 2HE2 GLN 19 -7.872 6.141 -1.566 109 H LYS 20 H LYS 20 -2.125 3.007 -2.262 110 HA LYS 20 HA LYS 20 -2.064 1.079 -4.484 111 HB2 LYS 20 1HB LYS 20 0.079 2.190 -3.973 112 HB3 LYS 20 2HB LYS 20 -0.003 1.575 -2.327 113 HG2 LYS 20 1HG LYS 20 0.101 -0.715 -3.180 114 HG3 LYS 20 2HG LYS 20 0.196 -0.091 -4.828 115 HD2 LYS 20 1HD LYS 20 2.230 1.262 -3.828 116 HD3 LYS 20 2HD LYS 20 2.235 -0.059 -2.657 117 HE2 LYS 20 1HE LYS 20 2.086 -0.706 -5.562 118 HE3 LYS 20 2HE LYS 20 3.632 -0.202 -4.883 119 HZ1 LYS 20 3HZ LYS 20 2.228 -2.219 -3.357 120 HZ2 LYS 20 1HZ LYS 20 3.864 -2.120 -3.776 121 HZ3 LYS 20 2HZ LYS 20 2.741 -2.723 -4.888 122 H ALA 21 H ALA 21 -3.014 -0.813 -4.161 123 HA ALA 21 HA ALA 21 -3.953 -1.586 -1.559 124 HB1 ALA 21 3HB ALA 21 -4.576 -2.231 -4.257 125 HB2 ALA 21 1HB ALA 21 -4.234 -3.728 -3.389 126 HB3 ALA 21 2HB ALA 21 -5.474 -2.625 -2.792 127 H PHE 22 H PHE 22 -3.349 -3.389 -0.354 128 HA PHE 22 HA PHE 22 -0.832 -4.691 -1.147 129 HB2 PHE 22 1HB PHE 22 -1.564 -3.586 1.567 130 HB3 PHE 22 2HB PHE 22 -0.216 -4.685 1.299 131 HD1 PHE 22 HD2 PHE 22 -1.567 -1.466 -0.015 132 HD2 PHE 22 HD1 PHE 22 1.867 -3.781 0.971 133 HE1 PHE 22 HE2 PHE 22 -0.122 0.448 -0.565 134 HE2 PHE 22 HE1 PHE 22 3.316 -1.870 0.423 135 HZ PHE 22 HZ PHE 22 2.323 0.248 -0.346 136 H ASN 23 H ASN 23 -0.448 -6.585 0.577 137 HA ASN 23 HA ASN 23 -2.780 -8.300 0.284 138 HB2 ASN 23 1HB ASN 23 -0.829 -9.397 -0.414 139 HB3 ASN 23 2HB ASN 23 0.114 -8.780 0.939 140 HD21 ASN 23 1HD2 ASN 23 0.813 -10.678 1.756 141 HD22 ASN 23 2HD2 ASN 23 -0.225 -11.892 2.414 142 H THR 24 H THR 24 -0.498 -7.463 2.894 143 HA THR 24 HA THR 24 -2.688 -7.915 4.815 144 HB THR 24 HB THR 24 -0.908 -8.541 6.477 145 HG1 THR 24 HG1 THR 24 1.043 -9.391 5.182 146 HG21 THR 24 3HG2 THR 24 -1.222 -10.276 4.026 147 HG22 THR 24 1HG2 THR 24 -2.254 -10.270 5.456 148 HG23 THR 24 2HG2 THR 24 -0.586 -10.831 5.574 149 H LYS 25 H LYS 25 -2.486 -6.693 6.838 150 HA LYS 25 HA LYS 25 -2.172 -3.963 6.422 151 HB2 LYS 25 1HB LYS 25 -3.421 -5.187 8.300 152 HB3 LYS 25 2HB LYS 25 -1.868 -5.260 9.124 153 HG2 LYS 25 1HG LYS 25 -1.739 -2.903 9.287 154 HG3 LYS 25 2HG LYS 25 -3.095 -2.685 8.178 155 HD2 LYS 25 1HD LYS 25 -3.383 -4.133 10.798 156 HD3 LYS 25 2HD LYS 25 -3.568 -2.382 10.666 157 HE2 LYS 25 1HE LYS 25 -5.398 -2.627 9.144 158 HE3 LYS 25 2HE LYS 25 -5.130 -4.364 9.019 159 HZ1 LYS 25 3HZ LYS 25 -5.513 -4.240 11.589 160 HZ2 LYS 25 1HZ LYS 25 -6.824 -4.303 10.521 161 HZ3 LYS 25 2HZ LYS 25 -6.351 -2.824 11.192 162 H SER 26 H SER 26 0.065 -6.289 7.890 163 HA SER 26 HA SER 26 2.047 -4.589 8.766 164 HB2 SER 26 1HB SER 26 2.261 -6.894 9.287 165 HB3 SER 26 2HB SER 26 2.208 -7.362 7.587 166 HG SER 26 HG SER 26 4.332 -6.674 9.101 167 H ASN 27 H ASN 27 1.764 -6.058 5.534 168 HA ASN 27 HA ASN 27 4.019 -4.963 4.366 169 HB2 ASN 27 1HB ASN 27 2.156 -6.613 3.457 170 HB3 ASN 27 2HB ASN 27 1.517 -5.135 2.744 171 HD21 ASN 27 1HD2 ASN 27 2.031 -6.574 0.825 172 HD22 ASN 27 2HD2 ASN 27 3.591 -6.367 0.113 173 H LEU 28 H LEU 28 0.758 -3.580 4.593 174 HA LEU 28 HA LEU 28 1.328 -1.218 3.155 175 HB2 LEU 28 1HB LEU 28 -0.935 -1.807 3.397 176 HB3 LEU 28 2HB LEU 28 -0.790 -1.964 5.146 177 HG LEU 28 HG LEU 28 -0.493 0.509 5.275 178 HD11 LEU 28 1HD1 LEU 28 -0.689 1.900 3.459 179 HD12 LEU 28 2HD1 LEU 28 -1.562 0.706 2.499 180 HD13 LEU 28 3HD1 LEU 28 0.176 0.537 2.748 181 HD21 LEU 28 3HD2 LEU 28 -3.032 -0.510 4.006 182 HD22 LEU 28 1HD2 LEU 28 -2.864 1.029 4.850 183 HD23 LEU 28 2HD2 LEU 28 -2.650 -0.486 5.728 184 H MET 29 H MET 29 1.309 -1.937 6.632 185 HA MET 29 HA MET 29 1.834 0.595 7.620 186 HB2 MET 29 1HB MET 29 2.454 -2.168 8.582 187 HB3 MET 29 2HB MET 29 3.142 -0.794 9.438 188 HG2 MET 29 1HG MET 29 0.712 0.086 9.486 189 HG3 MET 29 2HG MET 29 0.280 -1.585 9.130 190 HE1 MET 29 3HE MET 29 -0.497 -3.003 10.995 191 HE2 MET 29 1HE MET 29 1.115 -3.648 10.679 192 HE3 MET 29 2HE MET 29 0.570 -3.413 12.340 193 H VAL 30 H VAL 30 4.139 -1.880 6.536 194 HA VAL 30 HA VAL 30 6.477 -0.418 7.124 195 HB VAL 30 HB VAL 30 6.044 -2.576 5.054 196 HG11 VAL 30 1HG1 VAL 30 8.412 -2.836 4.960 197 HG12 VAL 30 2HG1 VAL 30 8.057 -1.129 4.684 198 HG13 VAL 30 3HG1 VAL 30 8.651 -1.665 6.257 199 HG21 VAL 30 3HG2 VAL 30 5.713 -3.791 6.922 200 HG22 VAL 30 1HG2 VAL 30 7.470 -3.711 7.055 201 HG23 VAL 30 2HG2 VAL 30 6.464 -2.584 7.966 202 H HIS 31 H HIS 31 4.362 -0.492 4.323 203 HA HIS 31 HA HIS 31 6.060 0.917 2.552 204 HB2 HIS 31 1HB HIS 31 4.235 -0.313 1.623 205 HB3 HIS 31 2HB HIS 31 3.065 0.543 2.623 206 HD1 HIS 31 HD1 HIS 31 5.681 1.621 0.063 207 HD2 HIS 31 HD2 HIS 31 1.729 2.337 1.127 208 HE1 HIS 31 HE1 HIS 31 4.838 3.324 -1.585 209 H GLN 32 H GLN 32 3.203 2.050 4.367 210 HA GLN 32 HA GLN 32 3.219 4.696 3.791 211 HB2 GLN 32 1HB GLN 32 2.786 3.461 6.515 212 HB3 GLN 32 2HB GLN 32 2.325 5.100 6.075 213 HG2 GLN 32 1HG GLN 32 0.664 4.359 4.601 214 HG3 GLN 32 2HG GLN 32 1.305 2.717 4.572 215 HE21 GLN 32 1HE2 GLN 32 -1.094 4.613 5.757 216 HE22 GLN 32 2HE2 GLN 32 -1.566 3.667 7.124 217 H ARG 33 H ARG 33 5.619 2.976 5.577 218 HA ARG 33 HA ARG 33 6.781 5.246 6.871 219 HB2 ARG 33 1HB ARG 33 7.964 2.524 6.288 220 HB3 ARG 33 2HB ARG 33 8.649 3.725 7.375 221 HG2 ARG 33 1HG ARG 33 6.307 3.553 8.539 222 HG3 ARG 33 2HG ARG 33 6.264 1.985 7.731 223 HD2 ARG 33 1HD ARG 33 8.358 1.358 8.787 224 HD3 ARG 33 2HD ARG 33 8.476 2.947 9.541 225 HE ARG 33 HE ARG 33 6.083 1.455 10.182 226 HH11 ARG 33 1HH1 ARG 33 9.360 2.227 11.071 227 HH12 ARG 33 2HH1 ARG 33 9.148 1.793 12.735 228 HH21 ARG 33 1HH2 ARG 33 5.793 0.881 12.371 229 HH22 ARG 33 2HH2 ARG 33 7.119 1.026 13.473 230 H THR 34 H THR 34 7.652 3.315 4.014 231 HA THR 34 HA THR 34 9.966 4.679 3.291 232 HB THR 34 HB THR 34 9.202 2.552 2.253 233 HG1 THR 34 HG1 THR 34 10.373 3.028 0.530 234 HG21 THR 34 3HG2 THR 34 7.068 2.533 1.550 235 HG22 THR 34 1HG2 THR 34 7.694 3.309 0.096 236 HG23 THR 34 2HG2 THR 34 7.007 4.288 1.392 237 H HIS 35 H HIS 35 6.651 5.621 3.016 238 HA HIS 35 HA HIS 35 6.759 7.460 0.928 239 HB2 HIS 35 1HB HIS 35 5.041 7.103 3.332 240 HB3 HIS 35 2HB HIS 35 4.954 8.651 2.497 241 HD1 HIS 35 HD1 HIS 35 5.249 7.504 -0.414 242 HD2 HIS 35 HD2 HIS 35 2.630 6.093 2.486 243 HE1 HIS 35 HE1 HIS 35 3.401 6.358 -1.677 244 H THR 36 H THR 36 7.190 8.063 4.415 245 HA THR 36 HA THR 36 8.704 10.491 3.704 246 HB THR 36 HB THR 36 6.575 11.092 4.755 247 HG1 THR 36 HG1 THR 36 8.454 11.550 6.790 248 HG21 THR 36 3HG2 THR 36 5.812 9.488 6.169 249 HG22 THR 36 1HG2 THR 36 6.649 10.473 7.368 250 HG23 THR 36 2HG2 THR 36 7.431 9.037 6.706 251 H GLY 37 H GLY 37 9.939 7.995 3.930 252 HA2 GLY 37 1HA GLY 37 11.415 8.308 6.473 253 HA3 GLY 37 2HA GLY 37 11.092 6.741 5.746 254 H GLU 38 H GLU 38 11.659 7.377 3.065 255 HA GLU 38 HA GLU 38 14.479 7.072 3.069 256 HB2 GLU 38 1HB GLU 38 12.362 7.293 0.981 257 HB3 GLU 38 2HB GLU 38 14.032 7.542 0.494 258 HG2 GLU 38 1HG GLU 38 12.809 5.085 1.708 259 HG3 GLU 38 2HG GLU 38 13.534 5.267 0.112 260 H SER 39 H SER 39 15.936 8.444 1.694 261 HA SER 39 HA SER 39 15.779 11.161 2.617 262 HB2 SER 39 1HB SER 39 17.789 9.654 0.943 263 HB3 SER 39 2HB SER 39 17.948 11.378 1.283 264 HG SER 39 HG SER 39 19.078 10.249 2.841 265 H GLY 40 H GLY 40 15.398 12.999 1.454 266 HA2 GLY 40 1HA GLY 40 14.264 12.585 -1.231 267 HA3 GLY 40 2HA GLY 40 13.884 13.927 -0.161 268 HA PRO 41 HA PRO 41 17.144 15.110 -3.362 269 HB2 PRO 41 1HB PRO 41 15.648 16.954 -4.679 270 HB3 PRO 41 2HB PRO 41 15.683 15.246 -5.131 271 HG2 PRO 41 1HG PRO 41 13.654 16.735 -3.512 272 HG3 PRO 41 2HG PRO 41 13.401 15.526 -4.784 273 HD2 PRO 41 1HD PRO 41 13.233 14.925 -2.149 274 HD3 PRO 41 2HD PRO 41 13.805 13.759 -3.360 275 H SER 42 H SER 42 15.540 16.330 -0.758 276 HA SER 42 HA SER 42 16.186 19.099 -0.928 277 HB2 SER 42 1HB SER 42 15.488 19.237 1.364 278 HB3 SER 42 2HB SER 42 14.409 18.099 0.558 279 HG SER 42 HG SER 42 16.591 17.509 2.267 280 H SER 43 H SER 43 18.065 20.083 -0.600 281 HA SER 43 HA SER 43 20.466 18.718 -0.213 282 HB2 SER 43 1HB SER 43 21.516 20.861 -0.089 283 HB3 SER 43 2HB SER 43 20.158 21.032 -1.201 284 HG SER 43 HG SER 43 20.575 22.175 1.270 285 H GLY 44 H GLY 44 21.867 18.521 1.545 286 HA2 GLY 44 1HA GLY 44 22.051 19.431 3.980 287 HA3 GLY 44 2HA GLY 44 20.507 18.607 4.146 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.989 -12.097 -9.775 2 HA2 GLY 1 1HA GLY 1 3.694 -12.225 -12.313 3 HA3 GLY 1 2HA GLY 1 2.168 -12.935 -11.806 4 H SER 2 H SER 2 2.299 -12.231 -14.359 5 HA SER 2 HA SER 2 0.609 -9.831 -14.477 6 HB2 SER 2 1HB SER 2 2.826 -10.510 -16.424 7 HB3 SER 2 2HB SER 2 1.687 -9.176 -16.601 8 HG SER 2 HG SER 2 3.973 -9.165 -15.305 9 H SER 3 H SER 3 -1.288 -10.918 -14.751 10 HA SER 3 HA SER 3 -1.835 -11.969 -17.352 11 HB2 SER 3 1HB SER 3 -1.418 -13.827 -15.064 12 HB3 SER 3 2HB SER 3 -2.766 -14.168 -16.147 13 HG SER 3 HG SER 3 -0.292 -13.568 -17.291 14 H GLY 4 H GLY 4 -3.914 -11.608 -17.856 15 HA2 GLY 4 1HA GLY 4 -6.172 -11.204 -17.604 16 HA3 GLY 4 2HA GLY 4 -6.035 -11.751 -15.940 17 H SER 5 H SER 5 -7.221 -9.314 -17.467 18 HA SER 5 HA SER 5 -5.865 -7.070 -16.295 19 HB2 SER 5 1HB SER 5 -7.774 -5.760 -17.195 20 HB3 SER 5 2HB SER 5 -7.035 -6.797 -18.415 21 HG SER 5 HG SER 5 -9.223 -7.074 -18.574 22 H SER 6 H SER 6 -9.042 -8.597 -15.769 23 HA SER 6 HA SER 6 -9.384 -7.103 -13.298 24 HB2 SER 6 1HB SER 6 -11.315 -7.372 -14.789 25 HB3 SER 6 2HB SER 6 -11.193 -9.125 -14.645 26 HG SER 6 HG SER 6 -12.571 -8.753 -13.073 27 H GLY 7 H GLY 7 -8.862 -7.853 -11.352 28 HA2 GLY 7 1HA GLY 7 -9.166 -10.561 -10.562 29 HA3 GLY 7 2HA GLY 7 -7.478 -10.221 -10.915 30 H THR 8 H THR 8 -6.273 -9.481 -9.301 31 HA THR 8 HA THR 8 -7.442 -8.972 -6.740 32 HB THR 8 HB THR 8 -5.073 -8.435 -6.060 33 HG1 THR 8 HG1 THR 8 -4.223 -9.478 -8.524 34 HG21 THR 8 3HG2 THR 8 -5.628 -10.629 -5.605 35 HG22 THR 8 1HG2 THR 8 -4.260 -10.843 -6.696 36 HG23 THR 8 2HG2 THR 8 -5.907 -11.023 -7.301 37 H GLY 9 H GLY 9 -8.187 -7.100 -5.998 38 HA2 GLY 9 1HA GLY 9 -6.852 -4.618 -6.441 39 HA3 GLY 9 2HA GLY 9 -8.310 -4.735 -7.416 40 H GLU 10 H GLU 10 -9.800 -6.285 -5.484 41 HA GLU 10 HA GLU 10 -10.620 -4.087 -3.776 42 HB2 GLU 10 1HB GLU 10 -11.803 -6.827 -4.244 43 HB3 GLU 10 2HB GLU 10 -12.503 -5.620 -3.176 44 HG2 GLU 10 1HG GLU 10 -13.655 -5.580 -5.274 45 HG3 GLU 10 2HG GLU 10 -12.726 -4.092 -5.097 46 H LYS 11 H LYS 11 -8.194 -4.779 -2.933 47 HA LYS 11 HA LYS 11 -8.299 -6.786 -0.864 48 HB2 LYS 11 1HB LYS 11 -6.203 -4.829 -1.777 49 HB3 LYS 11 2HB LYS 11 -5.987 -5.796 -0.324 50 HG2 LYS 11 1HG LYS 11 -6.171 -7.836 -1.622 51 HG3 LYS 11 2HG LYS 11 -6.466 -6.895 -3.087 52 HD2 LYS 11 1HD LYS 11 -4.195 -5.765 -2.482 53 HD3 LYS 11 2HD LYS 11 -3.944 -7.217 -1.510 54 HE2 LYS 11 1HE LYS 11 -4.673 -7.264 -4.433 55 HE3 LYS 11 2HE LYS 11 -3.013 -7.313 -3.841 56 HZ1 LYS 11 3HZ LYS 11 -4.527 -9.253 -2.485 57 HZ2 LYS 11 1HZ LYS 11 -3.212 -9.480 -3.526 58 HZ3 LYS 11 2HZ LYS 11 -4.784 -9.441 -4.147 59 HA PRO 12 HA PRO 12 -9.719 -4.218 2.416 60 HB2 PRO 12 1HB PRO 12 -8.671 -5.577 4.520 61 HB3 PRO 12 2HB PRO 12 -10.058 -6.162 3.593 62 HG2 PRO 12 1HG PRO 12 -7.175 -6.943 3.388 63 HG3 PRO 12 2HG PRO 12 -8.618 -7.973 3.357 64 HD2 PRO 12 1HD PRO 12 -7.295 -7.253 1.107 65 HD3 PRO 12 2HD PRO 12 -9.050 -7.519 1.140 66 H TYR 13 H TYR 13 -6.535 -4.418 1.459 67 HA TYR 13 HA TYR 13 -5.719 -2.390 3.436 68 HB2 TYR 13 1HB TYR 13 -3.804 -4.248 2.034 69 HB3 TYR 13 2HB TYR 13 -3.500 -3.229 3.436 70 HD1 TYR 13 HD2 TYR 13 -4.806 -3.795 5.591 71 HD2 TYR 13 HD1 TYR 13 -4.392 -6.485 2.321 72 HE1 TYR 13 HE2 TYR 13 -5.338 -5.679 7.081 73 HE2 TYR 13 HE1 TYR 13 -4.923 -8.376 3.801 74 HH TYR 13 HH TYR 13 -4.913 -8.951 6.130 75 H GLU 14 H GLU 14 -5.658 -0.467 2.491 76 HA GLU 14 HA GLU 14 -4.350 -0.223 -0.121 77 HB2 GLU 14 1HB GLU 14 -7.116 0.637 0.599 78 HB3 GLU 14 2HB GLU 14 -6.182 1.653 -0.490 79 HG2 GLU 14 1HG GLU 14 -5.958 -0.117 -2.069 80 HG3 GLU 14 2HG GLU 14 -6.653 -1.281 -0.943 81 H CYS 15 H CYS 15 -3.102 1.574 -0.371 82 HA CYS 15 HA CYS 15 -2.286 2.963 1.962 83 HB2 CYS 15 1HB CYS 15 -1.034 2.438 -0.314 84 HB3 CYS 15 2HB CYS 15 -1.651 4.027 -0.754 85 H ASN 16 H ASN 16 -1.980 5.522 1.589 86 HA ASN 16 HA ASN 16 -4.638 6.608 0.928 87 HB2 ASN 16 1HB ASN 16 -2.908 7.115 3.337 88 HB3 ASN 16 2HB ASN 16 -4.092 8.306 2.806 89 HD21 ASN 16 1HD2 ASN 16 -4.067 6.891 5.283 90 HD22 ASN 16 2HD2 ASN 16 -5.519 5.958 5.354 91 H GLU 17 H GLU 17 -1.170 7.112 1.059 92 HA GLU 17 HA GLU 17 -1.298 9.748 -0.094 93 HB2 GLU 17 1HB GLU 17 0.540 8.677 1.449 94 HB3 GLU 17 2HB GLU 17 1.197 8.097 -0.075 95 HG2 GLU 17 1HG GLU 17 2.334 10.066 0.200 96 HG3 GLU 17 2HG GLU 17 0.983 10.579 -0.809 97 H CYS 18 H CYS 18 -0.165 6.563 -1.219 98 HA CYS 18 HA CYS 18 -0.135 7.558 -3.968 99 HB2 CYS 18 1HB CYS 18 1.097 5.574 -4.526 100 HB3 CYS 18 2HB CYS 18 1.799 6.245 -3.057 101 H GLN 19 H GLN 19 -2.055 5.681 -1.840 102 HA GLN 19 HA GLN 19 -4.057 4.632 -2.094 103 HB2 GLN 19 1HB GLN 19 -4.025 5.836 -4.867 104 HB3 GLN 19 2HB GLN 19 -5.427 5.158 -4.049 105 HG2 GLN 19 1HG GLN 19 -5.751 7.387 -3.687 106 HG3 GLN 19 2HG GLN 19 -4.865 6.941 -2.230 107 HE21 GLN 19 1HE2 GLN 19 -4.208 9.106 -1.992 108 HE22 GLN 19 2HE2 GLN 19 -2.943 9.772 -2.963 109 H LYS 20 H LYS 20 -1.999 2.981 -2.302 110 HA LYS 20 HA LYS 20 -2.369 1.382 -4.732 111 HB2 LYS 20 1HB LYS 20 -0.203 1.609 -2.689 112 HB3 LYS 20 2HB LYS 20 -0.382 0.090 -3.557 113 HG2 LYS 20 1HG LYS 20 -0.119 1.254 -5.678 114 HG3 LYS 20 2HG LYS 20 0.023 2.793 -4.824 115 HD2 LYS 20 1HD LYS 20 2.063 2.089 -3.774 116 HD3 LYS 20 2HD LYS 20 1.882 0.454 -4.414 117 HE2 LYS 20 1HE LYS 20 2.005 1.445 -6.714 118 HE3 LYS 20 2HE LYS 20 2.416 2.985 -5.961 119 HZ1 LYS 20 3HZ LYS 20 4.456 2.219 -5.294 120 HZ2 LYS 20 1HZ LYS 20 4.280 1.387 -6.756 121 HZ3 LYS 20 2HZ LYS 20 3.987 0.593 -5.292 122 H ALA 21 H ALA 21 -1.843 -1.113 -4.030 123 HA ALA 21 HA ALA 21 -3.709 -1.782 -1.854 124 HB1 ALA 21 3HB ALA 21 -3.768 -2.653 -4.693 125 HB2 ALA 21 1HB ALA 21 -4.224 -3.823 -3.454 126 HB3 ALA 21 2HB ALA 21 -5.096 -2.296 -3.589 127 H PHE 22 H PHE 22 -3.183 -3.535 -0.608 128 HA PHE 22 HA PHE 22 -0.786 -5.063 -1.337 129 HB2 PHE 22 1HB PHE 22 -1.292 -3.694 1.309 130 HB3 PHE 22 2HB PHE 22 -0.053 -4.920 1.066 131 HD1 PHE 22 HD2 PHE 22 -1.165 -1.568 -0.049 132 HD2 PHE 22 HD1 PHE 22 2.043 -4.354 0.202 133 HE1 PHE 22 HE2 PHE 22 0.401 0.173 -0.803 134 HE2 PHE 22 HE1 PHE 22 3.615 -2.618 -0.551 135 HZ PHE 22 HZ PHE 22 2.794 -0.351 -1.056 136 H ASN 23 H ASN 23 -0.691 -7.167 -0.527 137 HA ASN 23 HA ASN 23 -3.225 -8.396 -0.061 138 HB2 ASN 23 1HB ASN 23 -1.154 -9.373 -1.264 139 HB3 ASN 23 2HB ASN 23 -0.575 -9.760 0.354 140 HD21 ASN 23 1HD2 ASN 23 -2.497 -10.743 1.726 141 HD22 ASN 23 2HD2 ASN 23 -3.283 -12.077 0.959 142 H THR 24 H THR 24 -0.374 -7.754 1.938 143 HA THR 24 HA THR 24 -1.878 -8.649 4.302 144 HB THR 24 HB THR 24 0.285 -8.737 5.468 145 HG1 THR 24 HG1 THR 24 1.300 -7.096 4.108 146 HG21 THR 24 3HG2 THR 24 1.272 -10.623 4.203 147 HG22 THR 24 1HG2 THR 24 0.226 -10.225 2.840 148 HG23 THR 24 2HG2 THR 24 -0.479 -10.755 4.367 149 H LYS 25 H LYS 25 -1.402 -7.394 6.331 150 HA LYS 25 HA LYS 25 -1.864 -4.585 5.801 151 HB2 LYS 25 1HB LYS 25 -3.195 -5.815 7.490 152 HB3 LYS 25 2HB LYS 25 -1.734 -6.063 8.436 153 HG2 LYS 25 1HG LYS 25 -1.548 -3.771 8.941 154 HG3 LYS 25 2HG LYS 25 -2.735 -3.327 7.713 155 HD2 LYS 25 1HD LYS 25 -4.355 -4.801 9.098 156 HD3 LYS 25 2HD LYS 25 -3.166 -4.604 10.388 157 HE2 LYS 25 1HE LYS 25 -4.832 -2.905 10.642 158 HE3 LYS 25 2HE LYS 25 -3.346 -2.138 10.083 159 HZ1 LYS 25 3HZ LYS 25 -4.502 -2.596 7.760 160 HZ2 LYS 25 1HZ LYS 25 -4.794 -1.188 8.651 161 HZ3 LYS 25 2HZ LYS 25 -5.896 -2.469 8.710 162 H SER 26 H SER 26 0.433 -6.460 7.782 163 HA SER 26 HA SER 26 2.050 -4.482 8.721 164 HB2 SER 26 1HB SER 26 2.255 -7.015 9.057 165 HB3 SER 26 2HB SER 26 3.216 -7.018 7.578 166 HG SER 26 HG SER 26 4.780 -5.899 8.567 167 H ASN 27 H ASN 27 1.951 -5.766 5.458 168 HA ASN 27 HA ASN 27 4.317 -4.541 4.511 169 HB2 ASN 27 1HB ASN 27 3.049 -6.422 3.395 170 HB3 ASN 27 2HB ASN 27 1.876 -5.221 2.865 171 HD21 ASN 27 1HD2 ASN 27 3.339 -6.827 1.123 172 HD22 ASN 27 2HD2 ASN 27 4.401 -5.819 0.205 173 H LEU 28 H LEU 28 0.920 -3.530 4.477 174 HA LEU 28 HA LEU 28 1.330 -1.132 3.037 175 HB2 LEU 28 1HB LEU 28 -0.865 -2.002 3.135 176 HB3 LEU 28 2HB LEU 28 -0.839 -2.065 4.896 177 HG LEU 28 HG LEU 28 -0.816 0.437 4.904 178 HD11 LEU 28 1HD1 LEU 28 -0.575 1.606 3.037 179 HD12 LEU 28 2HD1 LEU 28 -1.929 0.767 2.280 180 HD13 LEU 28 3HD1 LEU 28 -0.303 0.093 2.173 181 HD21 LEU 28 3HD2 LEU 28 -3.084 -1.156 3.770 182 HD22 LEU 28 1HD2 LEU 28 -3.243 0.581 4.034 183 HD23 LEU 28 2HD2 LEU 28 -2.888 -0.488 5.392 184 H MET 29 H MET 29 0.693 -1.599 6.520 185 HA MET 29 HA MET 29 1.050 0.946 7.424 186 HB2 MET 29 1HB MET 29 1.421 0.061 9.559 187 HB3 MET 29 2HB MET 29 0.506 -1.196 8.738 188 HG2 MET 29 1HG MET 29 2.472 -2.501 8.391 189 HG3 MET 29 2HG MET 29 3.502 -1.193 8.970 190 HE1 MET 29 3HE MET 29 0.086 -2.613 11.114 191 HE2 MET 29 1HE MET 29 0.628 -3.413 9.638 192 HE3 MET 29 2HE MET 29 0.954 -4.145 11.209 193 H VAL 30 H VAL 30 3.584 -1.414 6.696 194 HA VAL 30 HA VAL 30 5.712 0.347 7.490 195 HB VAL 30 HB VAL 30 5.752 -2.253 5.954 196 HG11 VAL 30 1HG1 VAL 30 7.789 -1.579 5.299 197 HG12 VAL 30 2HG1 VAL 30 7.857 -0.288 6.499 198 HG13 VAL 30 3HG1 VAL 30 8.263 -1.942 6.958 199 HG21 VAL 30 3HG2 VAL 30 5.436 -1.661 8.704 200 HG22 VAL 30 1HG2 VAL 30 5.620 -3.239 7.939 201 HG23 VAL 30 2HG2 VAL 30 7.043 -2.356 8.492 202 H HIS 31 H HIS 31 3.971 -0.343 4.565 203 HA HIS 31 HA HIS 31 5.898 0.787 2.776 204 HB2 HIS 31 1HB HIS 31 4.494 -0.695 1.682 205 HB3 HIS 31 2HB HIS 31 3.063 -0.141 2.546 206 HD1 HIS 31 HD1 HIS 31 5.399 0.997 -0.213 207 HD2 HIS 31 HD2 HIS 31 1.548 1.679 1.192 208 HE1 HIS 31 HE1 HIS 31 4.311 2.481 -1.927 209 H GLN 32 H GLN 32 3.510 2.061 4.867 210 HA GLN 32 HA GLN 32 3.114 4.523 3.422 211 HB2 GLN 32 1HB GLN 32 2.360 3.722 6.238 212 HB3 GLN 32 2HB GLN 32 1.879 5.225 5.462 213 HG2 GLN 32 1HG GLN 32 0.841 3.740 3.656 214 HG3 GLN 32 2HG GLN 32 1.027 2.429 4.819 215 HE21 GLN 32 1HE2 GLN 32 -1.427 3.375 3.780 216 HE22 GLN 32 2HE2 GLN 32 -2.347 4.014 5.095 217 H ARG 33 H ARG 33 4.880 3.508 6.326 218 HA ARG 33 HA ARG 33 5.871 6.033 7.042 219 HB2 ARG 33 1HB ARG 33 7.555 4.800 8.342 220 HB3 ARG 33 2HB ARG 33 5.943 4.135 8.567 221 HG2 ARG 33 1HG ARG 33 6.424 2.256 7.223 222 HG3 ARG 33 2HG ARG 33 7.909 2.986 6.610 223 HD2 ARG 33 1HD ARG 33 8.682 2.989 9.056 224 HD3 ARG 33 2HD ARG 33 7.349 1.870 9.338 225 HE ARG 33 HE ARG 33 8.541 0.226 8.270 226 HH11 ARG 33 1HH1 ARG 33 10.013 3.318 7.643 227 HH12 ARG 33 2HH1 ARG 33 11.422 2.642 6.896 228 HH21 ARG 33 1HH2 ARG 33 10.391 -0.676 7.288 229 HH22 ARG 33 2HH2 ARG 33 11.636 0.370 6.693 230 H THR 34 H THR 34 7.008 3.641 4.745 231 HA THR 34 HA THR 34 9.590 4.628 4.303 232 HB THR 34 HB THR 34 9.391 3.549 2.038 233 HG1 THR 34 HG1 THR 34 6.902 2.532 2.891 234 HG21 THR 34 3HG2 THR 34 9.734 2.412 4.468 235 HG22 THR 34 1HG2 THR 34 9.830 1.526 2.947 236 HG23 THR 34 2HG2 THR 34 8.337 1.508 3.886 237 H HIS 35 H HIS 35 6.525 5.403 2.682 238 HA HIS 35 HA HIS 35 7.178 6.979 0.634 239 HB2 HIS 35 1HB HIS 35 5.070 7.263 2.722 240 HB3 HIS 35 2HB HIS 35 5.298 8.601 1.599 241 HD1 HIS 35 HD1 HIS 35 5.806 7.045 -0.994 242 HD2 HIS 35 HD2 HIS 35 2.821 6.096 1.736 243 HE1 HIS 35 HE1 HIS 35 4.082 5.763 -2.301 244 H THR 36 H THR 36 7.053 8.244 3.968 245 HA THR 36 HA THR 36 8.407 10.670 3.178 246 HB THR 36 HB THR 36 6.654 10.717 4.918 247 HG1 THR 36 HG1 THR 36 9.288 11.478 5.687 248 HG21 THR 36 3HG2 THR 36 8.621 8.982 6.390 249 HG22 THR 36 1HG2 THR 36 6.911 8.684 6.082 250 HG23 THR 36 2HG2 THR 36 7.396 9.931 7.231 251 H GLY 37 H GLY 37 10.430 11.381 4.002 252 HA2 GLY 37 1HA GLY 37 12.237 10.376 5.649 253 HA3 GLY 37 2HA GLY 37 12.315 9.179 4.365 254 H GLU 38 H GLU 38 13.983 11.622 5.513 255 HA GLU 38 HA GLU 38 14.757 12.630 2.853 256 HB2 GLU 38 1HB GLU 38 13.743 14.306 4.470 257 HB3 GLU 38 2HB GLU 38 15.179 14.086 5.460 258 HG2 GLU 38 1HG GLU 38 15.548 16.022 4.177 259 HG3 GLU 38 2HG GLU 38 16.535 14.754 3.452 260 H SER 39 H SER 39 16.292 11.013 2.505 261 HA SER 39 HA SER 39 18.255 10.205 4.335 262 HB2 SER 39 1HB SER 39 18.465 10.243 1.315 263 HB3 SER 39 2HB SER 39 19.421 9.253 2.417 264 HG SER 39 HG SER 39 17.874 7.861 2.081 265 H GLY 40 H GLY 40 19.841 11.348 5.211 266 HA2 GLY 40 1HA GLY 40 21.317 13.250 3.536 267 HA3 GLY 40 2HA GLY 40 20.610 13.841 5.034 268 HA PRO 41 HA PRO 41 24.161 10.684 6.096 269 HB2 PRO 41 1HB PRO 41 26.011 10.388 4.132 270 HB3 PRO 41 2HB PRO 41 24.604 9.331 4.292 271 HG2 PRO 41 1HG PRO 41 25.017 11.671 2.472 272 HG3 PRO 41 2HG PRO 41 24.293 10.092 2.117 273 HD2 PRO 41 1HD PRO 41 22.804 12.305 2.584 274 HD3 PRO 41 2HD PRO 41 22.262 10.676 3.035 275 H SER 42 H SER 42 25.549 11.675 7.409 276 HA SER 42 HA SER 42 27.189 13.874 6.355 277 HB2 SER 42 1HB SER 42 26.739 15.272 8.216 278 HB3 SER 42 2HB SER 42 25.164 14.667 7.703 279 HG SER 42 HG SER 42 26.654 14.063 9.988 280 H SER 43 H SER 43 29.277 13.853 6.974 281 HA SER 43 HA SER 43 31.229 13.166 7.921 282 HB2 SER 43 1HB SER 43 30.037 13.789 10.044 283 HB3 SER 43 2HB SER 43 29.534 12.105 10.192 284 HG SER 43 HG SER 43 31.677 13.042 11.165 285 H GLY 44 H GLY 44 30.090 11.512 6.018 286 HA2 GLY 44 1HA GLY 44 31.216 8.943 6.836 287 HA3 GLY 44 2HA GLY 44 29.544 8.942 6.295 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -29.785 2.755 -12.876 2 HA2 GLY 1 1HA GLY 1 -30.320 0.490 -13.143 3 HA3 GLY 1 2HA GLY 1 -31.605 0.947 -14.251 4 H SER 2 H SER 2 -28.048 1.052 -14.043 5 HA SER 2 HA SER 2 -27.764 0.965 -16.899 6 HB2 SER 2 1HB SER 2 -25.844 0.898 -14.585 7 HB3 SER 2 2HB SER 2 -25.287 0.563 -16.224 8 HG SER 2 HG SER 2 -26.385 2.641 -16.744 9 H SER 3 H SER 3 -27.339 -0.744 -18.191 10 HA SER 3 HA SER 3 -27.608 -3.395 -16.996 11 HB2 SER 3 1HB SER 3 -29.027 -2.688 -18.955 12 HB3 SER 3 2HB SER 3 -27.559 -2.675 -19.933 13 HG SER 3 HG SER 3 -28.939 -4.679 -19.839 14 H GLY 4 H GLY 4 -25.971 -4.788 -16.801 15 HA2 GLY 4 1HA GLY 4 -23.980 -5.614 -18.250 16 HA3 GLY 4 2HA GLY 4 -23.371 -3.999 -17.921 17 H SER 5 H SER 5 -23.664 -7.192 -16.777 18 HA SER 5 HA SER 5 -23.378 -6.826 -14.012 19 HB2 SER 5 1HB SER 5 -22.538 -9.142 -13.979 20 HB3 SER 5 2HB SER 5 -23.962 -8.992 -15.009 21 HG SER 5 HG SER 5 -22.794 -9.675 -16.602 22 H SER 6 H SER 6 -21.613 -6.681 -12.669 23 HA SER 6 HA SER 6 -18.985 -6.343 -13.945 24 HB2 SER 6 1HB SER 6 -20.302 -4.510 -11.937 25 HB3 SER 6 2HB SER 6 -18.569 -4.486 -12.260 26 HG SER 6 HG SER 6 -19.187 -3.112 -13.749 27 H GLY 7 H GLY 7 -17.207 -6.287 -12.208 28 HA2 GLY 7 1HA GLY 7 -17.650 -7.515 -9.696 29 HA3 GLY 7 2HA GLY 7 -17.161 -8.729 -10.869 30 H THR 8 H THR 8 -16.037 -6.735 -8.530 31 HA THR 8 HA THR 8 -13.318 -6.833 -9.634 32 HB THR 8 HB THR 8 -14.228 -4.475 -8.002 33 HG1 THR 8 HG1 THR 8 -15.296 -4.909 -10.233 34 HG21 THR 8 3HG2 THR 8 -12.241 -3.750 -9.809 35 HG22 THR 8 1HG2 THR 8 -11.766 -5.355 -9.254 36 HG23 THR 8 2HG2 THR 8 -12.033 -4.061 -8.086 37 H GLY 9 H GLY 9 -11.799 -7.540 -8.240 38 HA2 GLY 9 1HA GLY 9 -12.703 -8.258 -5.548 39 HA3 GLY 9 2HA GLY 9 -11.285 -8.896 -6.369 40 H GLU 10 H GLU 10 -12.531 -5.756 -5.220 41 HA GLU 10 HA GLU 10 -10.102 -4.446 -4.991 42 HB2 GLU 10 1HB GLU 10 -12.765 -4.151 -3.698 43 HB3 GLU 10 2HB GLU 10 -11.414 -3.292 -2.973 44 HG2 GLU 10 1HG GLU 10 -12.288 -3.059 -5.843 45 HG3 GLU 10 2HG GLU 10 -12.659 -1.908 -4.561 46 H LYS 11 H LYS 11 -8.493 -4.366 -3.511 47 HA LYS 11 HA LYS 11 -8.264 -6.551 -1.665 48 HB2 LYS 11 1HB LYS 11 -6.504 -4.311 -2.559 49 HB3 LYS 11 2HB LYS 11 -6.114 -5.130 -1.053 50 HG2 LYS 11 1HG LYS 11 -4.857 -6.206 -2.721 51 HG3 LYS 11 2HG LYS 11 -6.197 -7.294 -2.354 52 HD2 LYS 11 1HD LYS 11 -6.209 -7.320 -4.658 53 HD3 LYS 11 2HD LYS 11 -7.373 -6.037 -4.321 54 HE2 LYS 11 1HE LYS 11 -5.829 -4.350 -4.852 55 HE3 LYS 11 2HE LYS 11 -4.459 -5.455 -4.751 56 HZ1 LYS 11 3HZ LYS 11 -5.428 -6.619 -6.717 57 HZ2 LYS 11 1HZ LYS 11 -4.881 -5.049 -7.030 58 HZ3 LYS 11 2HZ LYS 11 -6.537 -5.351 -6.863 59 HA PRO 12 HA PRO 12 -9.880 -4.606 1.939 60 HB2 PRO 12 1HB PRO 12 -8.588 -6.060 3.832 61 HB3 PRO 12 2HB PRO 12 -9.923 -6.706 2.871 62 HG2 PRO 12 1HG PRO 12 -6.974 -7.072 2.505 63 HG3 PRO 12 2HG PRO 12 -8.274 -8.271 2.378 64 HD2 PRO 12 1HD PRO 12 -7.141 -7.116 0.207 65 HD3 PRO 12 2HD PRO 12 -8.846 -7.612 0.245 66 H TYR 13 H TYR 13 -6.605 -4.479 1.042 67 HA TYR 13 HA TYR 13 -6.088 -2.433 3.098 68 HB2 TYR 13 1HB TYR 13 -3.957 -4.144 1.821 69 HB3 TYR 13 2HB TYR 13 -3.799 -3.088 3.219 70 HD1 TYR 13 HD2 TYR 13 -4.872 -3.741 5.378 71 HD2 TYR 13 HD1 TYR 13 -4.707 -6.387 2.050 72 HE1 TYR 13 HE2 TYR 13 -5.350 -5.637 6.869 73 HE2 TYR 13 HE1 TYR 13 -5.186 -8.290 3.532 74 HH TYR 13 HH TYR 13 -6.460 -8.451 5.967 75 H GLU 14 H GLU 14 -5.592 -0.469 2.366 76 HA GLU 14 HA GLU 14 -4.354 -0.129 -0.243 77 HB2 GLU 14 1HB GLU 14 -7.160 0.630 0.389 78 HB3 GLU 14 2HB GLU 14 -6.211 1.766 -0.559 79 HG2 GLU 14 1HG GLU 14 -6.029 0.337 -2.348 80 HG3 GLU 14 2HG GLU 14 -6.278 -1.102 -1.361 81 H CYS 15 H CYS 15 -3.071 1.644 -0.355 82 HA CYS 15 HA CYS 15 -2.417 2.993 2.060 83 HB2 CYS 15 1HB CYS 15 -0.981 2.459 -0.099 84 HB3 CYS 15 2HB CYS 15 -1.542 4.053 -0.593 85 H ASN 16 H ASN 16 -2.057 5.539 1.772 86 HA ASN 16 HA ASN 16 -4.674 6.649 0.992 87 HB2 ASN 16 1HB ASN 16 -2.853 7.633 3.201 88 HB3 ASN 16 2HB ASN 16 -4.447 8.267 2.799 89 HD21 ASN 16 1HD2 ASN 16 -6.267 6.777 3.016 90 HD22 ASN 16 2HD2 ASN 16 -6.222 5.594 4.274 91 H GLU 17 H GLU 17 -1.196 7.127 1.062 92 HA GLU 17 HA GLU 17 -1.301 9.701 -0.213 93 HB2 GLU 17 1HB GLU 17 1.015 7.807 0.221 94 HB3 GLU 17 2HB GLU 17 1.157 9.455 -0.374 95 HG2 GLU 17 1HG GLU 17 1.616 9.798 1.821 96 HG3 GLU 17 2HG GLU 17 -0.134 10.012 1.849 97 H CYS 18 H CYS 18 -0.289 6.442 -1.232 98 HA CYS 18 HA CYS 18 -0.433 7.331 -4.028 99 HB2 CYS 18 1HB CYS 18 0.882 5.336 -4.560 100 HB3 CYS 18 2HB CYS 18 1.690 6.306 -3.332 101 H GLN 19 H GLN 19 -2.127 5.568 -1.694 102 HA GLN 19 HA GLN 19 -4.004 4.285 -1.752 103 HB2 GLN 19 1HB GLN 19 -4.240 5.239 -4.610 104 HB3 GLN 19 2HB GLN 19 -5.530 4.569 -3.620 105 HG2 GLN 19 1HG GLN 19 -5.995 6.773 -3.386 106 HG3 GLN 19 2HG GLN 19 -4.876 6.578 -2.038 107 HE21 GLN 19 1HE2 GLN 19 -4.194 8.686 -2.031 108 HE22 GLN 19 2HE2 GLN 19 -3.227 9.370 -3.288 109 H LYS 20 H LYS 20 -1.648 2.926 -2.147 110 HA LYS 20 HA LYS 20 -2.102 1.070 -4.358 111 HB2 LYS 20 1HB LYS 20 0.184 2.057 -3.802 112 HB3 LYS 20 2HB LYS 20 0.180 1.012 -2.387 113 HG2 LYS 20 1HG LYS 20 0.130 -0.949 -3.743 114 HG3 LYS 20 2HG LYS 20 -0.129 0.005 -5.205 115 HD2 LYS 20 1HD LYS 20 2.059 0.862 -5.162 116 HD3 LYS 20 2HD LYS 20 2.309 0.368 -3.485 117 HE2 LYS 20 1HE LYS 20 3.499 -1.239 -4.637 118 HE3 LYS 20 2HE LYS 20 1.938 -2.031 -4.420 119 HZ1 LYS 20 3HZ LYS 20 2.765 -2.272 -6.682 120 HZ2 LYS 20 1HZ LYS 20 2.809 -0.591 -6.868 121 HZ3 LYS 20 2HZ LYS 20 1.328 -1.380 -6.658 122 H ALA 21 H ALA 21 -2.359 -1.156 -4.067 123 HA ALA 21 HA ALA 21 -3.624 -1.882 -1.549 124 HB1 ALA 21 3HB ALA 21 -3.437 -3.289 -4.205 125 HB2 ALA 21 1HB ALA 21 -4.223 -3.978 -2.783 126 HB3 ALA 21 2HB ALA 21 -4.844 -2.491 -3.502 127 H PHE 22 H PHE 22 -3.018 -3.658 -0.283 128 HA PHE 22 HA PHE 22 -0.397 -4.849 -0.849 129 HB2 PHE 22 1HB PHE 22 -1.226 -3.582 1.769 130 HB3 PHE 22 2HB PHE 22 0.206 -4.585 1.562 131 HD1 PHE 22 HD2 PHE 22 -1.390 -1.416 0.539 132 HD2 PHE 22 HD1 PHE 22 2.200 -3.699 0.683 133 HE1 PHE 22 HE2 PHE 22 -0.104 0.569 -0.139 134 HE2 PHE 22 HE1 PHE 22 3.491 -1.717 0.006 135 HZ PHE 22 HZ PHE 22 2.340 0.420 -0.407 136 H ASN 23 H ASN 23 -0.294 -6.981 -0.464 137 HA ASN 23 HA ASN 23 -2.457 -8.599 -0.175 138 HB2 ASN 23 1HB ASN 23 -0.743 -10.262 0.896 139 HB3 ASN 23 2HB ASN 23 -0.518 -9.729 -0.768 140 HD21 ASN 23 1HD2 ASN 23 0.688 -9.634 2.456 141 HD22 ASN 23 2HD2 ASN 23 2.167 -8.812 2.108 142 H THR 24 H THR 24 -0.295 -7.662 2.502 143 HA THR 24 HA THR 24 -2.532 -8.175 4.353 144 HB THR 24 HB THR 24 -0.814 -8.686 6.091 145 HG1 THR 24 HG1 THR 24 0.877 -8.301 3.866 146 HG21 THR 24 3HG2 THR 24 -1.916 -10.533 5.035 147 HG22 THR 24 1HG2 THR 24 -0.204 -10.932 5.165 148 HG23 THR 24 2HG2 THR 24 -0.873 -10.414 3.618 149 H LYS 25 H LYS 25 -2.055 -7.024 6.548 150 HA LYS 25 HA LYS 25 -2.033 -4.233 6.023 151 HB2 LYS 25 1HB LYS 25 -3.299 -5.407 7.871 152 HB3 LYS 25 2HB LYS 25 -1.767 -5.561 8.721 153 HG2 LYS 25 1HG LYS 25 -2.528 -3.653 9.681 154 HG3 LYS 25 2HG LYS 25 -1.686 -2.950 8.298 155 HD2 LYS 25 1HD LYS 25 -3.689 -1.871 8.104 156 HD3 LYS 25 2HD LYS 25 -4.047 -3.312 7.149 157 HE2 LYS 25 1HE LYS 25 -4.900 -2.635 9.942 158 HE3 LYS 25 2HE LYS 25 -5.894 -3.094 8.560 159 HZ1 LYS 25 3HZ LYS 25 -3.956 -4.958 9.798 160 HZ2 LYS 25 1HZ LYS 25 -5.230 -5.321 8.746 161 HZ3 LYS 25 2HZ LYS 25 -5.556 -4.835 10.333 162 H SER 26 H SER 26 0.159 -6.223 8.019 163 HA SER 26 HA SER 26 2.058 -4.516 8.778 164 HB2 SER 26 1HB SER 26 2.362 -6.836 9.253 165 HB3 SER 26 2HB SER 26 2.471 -7.241 7.540 166 HG SER 26 HG SER 26 4.500 -7.019 8.873 167 H ASN 27 H ASN 27 2.079 -6.005 5.537 168 HA ASN 27 HA ASN 27 4.271 -4.717 4.477 169 HB2 ASN 27 1HB ASN 27 2.708 -6.520 3.446 170 HB3 ASN 27 2HB ASN 27 1.805 -5.146 2.814 171 HD21 ASN 27 1HD2 ASN 27 3.606 -7.324 1.656 172 HD22 ASN 27 2HD2 ASN 27 4.667 -6.454 0.606 173 H LEU 28 H LEU 28 0.886 -3.618 4.384 174 HA LEU 28 HA LEU 28 1.383 -1.192 3.053 175 HB2 LEU 28 1HB LEU 28 -0.835 -1.831 3.048 176 HB3 LEU 28 2HB LEU 28 -0.828 -2.242 4.761 177 HG LEU 28 HG LEU 28 -0.747 0.195 5.278 178 HD11 LEU 28 1HD1 LEU 28 -0.415 0.335 2.408 179 HD12 LEU 28 2HD1 LEU 28 -0.153 1.571 3.637 180 HD13 LEU 28 3HD1 LEU 28 -1.763 1.328 2.962 181 HD21 LEU 28 3HD2 LEU 28 -2.850 -0.974 5.379 182 HD22 LEU 28 1HD2 LEU 28 -3.068 -0.812 3.636 183 HD23 LEU 28 2HD2 LEU 28 -3.110 0.619 4.667 184 H MET 29 H MET 29 1.172 -1.970 6.508 185 HA MET 29 HA MET 29 1.393 0.592 7.552 186 HB2 MET 29 1HB MET 29 2.384 -2.055 8.609 187 HB3 MET 29 2HB MET 29 2.457 -0.566 9.542 188 HG2 MET 29 1HG MET 29 -0.115 -1.574 8.382 189 HG3 MET 29 2HG MET 29 0.489 -2.135 9.940 190 HE1 MET 29 3HE MET 29 -1.981 -0.853 11.274 191 HE2 MET 29 1HE MET 29 -0.408 -1.489 11.756 192 HE3 MET 29 2HE MET 29 -0.918 0.108 12.303 193 H VAL 30 H VAL 30 4.045 -1.738 7.017 194 HA VAL 30 HA VAL 30 6.136 0.010 7.652 195 HB VAL 30 HB VAL 30 6.286 -2.258 5.665 196 HG11 VAL 30 1HG1 VAL 30 8.563 -2.243 5.952 197 HG12 VAL 30 2HG1 VAL 30 8.206 -0.520 6.088 198 HG13 VAL 30 3HG1 VAL 30 8.468 -1.485 7.541 199 HG21 VAL 30 3HG2 VAL 30 5.568 -2.348 8.410 200 HG22 VAL 30 1HG2 VAL 30 5.854 -3.691 7.303 201 HG23 VAL 30 2HG2 VAL 30 7.187 -3.027 8.247 202 H HIS 31 H HIS 31 4.289 -0.400 4.725 203 HA HIS 31 HA HIS 31 6.073 0.934 2.967 204 HB2 HIS 31 1HB HIS 31 4.443 -0.426 1.938 205 HB3 HIS 31 2HB HIS 31 3.130 0.308 2.853 206 HD1 HIS 31 HD1 HIS 31 5.485 1.068 0.000 207 HD2 HIS 31 HD2 HIS 31 1.946 2.478 1.658 208 HE1 HIS 31 HE1 HIS 31 4.615 2.777 -1.626 209 H GLN 32 H GLN 32 3.304 2.013 4.893 210 HA GLN 32 HA GLN 32 2.984 4.582 3.992 211 HB2 GLN 32 1HB GLN 32 2.796 3.478 6.792 212 HB3 GLN 32 2HB GLN 32 2.336 5.127 6.391 213 HG2 GLN 32 1HG GLN 32 0.781 4.097 4.660 214 HG3 GLN 32 2HG GLN 32 1.076 2.565 5.481 215 HE21 GLN 32 1HE2 GLN 32 -1.061 2.368 6.121 216 HE22 GLN 32 2HE2 GLN 32 -1.748 3.349 7.366 217 H ARG 33 H ARG 33 5.599 3.275 5.874 218 HA ARG 33 HA ARG 33 6.652 5.759 6.784 219 HB2 ARG 33 1HB ARG 33 7.948 3.048 6.462 220 HB3 ARG 33 2HB ARG 33 8.711 4.424 7.247 221 HG2 ARG 33 1HG ARG 33 7.784 2.904 8.888 222 HG3 ARG 33 2HG ARG 33 6.932 4.449 8.925 223 HD2 ARG 33 1HD ARG 33 5.052 3.554 7.821 224 HD3 ARG 33 2HD ARG 33 5.931 2.105 7.335 225 HE ARG 33 HE ARG 33 5.502 1.187 9.395 226 HH11 ARG 33 1HH1 ARG 33 4.761 4.588 9.460 227 HH12 ARG 33 2HH1 ARG 33 3.997 4.524 11.014 228 HH21 ARG 33 1HH2 ARG 33 4.498 1.090 11.441 229 HH22 ARG 33 2HH2 ARG 33 3.849 2.535 12.140 230 H THR 34 H THR 34 7.472 3.603 4.083 231 HA THR 34 HA THR 34 9.657 4.918 3.047 232 HB THR 34 HB THR 34 8.645 2.753 2.208 233 HG1 THR 34 HG1 THR 34 9.895 3.041 0.517 234 HG21 THR 34 3HG2 THR 34 6.619 2.760 1.286 235 HG22 THR 34 1HG2 THR 34 7.182 3.868 0.036 236 HG23 THR 34 2HG2 THR 34 6.509 4.501 1.538 237 H HIS 35 H HIS 35 6.442 6.040 3.241 238 HA HIS 35 HA HIS 35 6.592 7.880 1.033 239 HB2 HIS 35 1HB HIS 35 4.611 7.252 3.168 240 HB3 HIS 35 2HB HIS 35 4.514 8.833 2.398 241 HD1 HIS 35 HD1 HIS 35 5.064 8.130 -0.502 242 HD2 HIS 35 HD2 HIS 35 2.620 5.857 1.972 243 HE1 HIS 35 HE1 HIS 35 3.540 6.859 -2.046 244 H THR 36 H THR 36 6.202 8.431 4.538 245 HA THR 36 HA THR 36 7.163 11.128 4.314 246 HB THR 36 HB THR 36 7.002 11.130 6.815 247 HG1 THR 36 HG1 THR 36 7.373 8.863 7.107 248 HG21 THR 36 3HG2 THR 36 4.421 10.001 5.893 249 HG22 THR 36 1HG2 THR 36 5.043 11.395 5.011 250 HG23 THR 36 2HG2 THR 36 4.758 11.506 6.748 251 H GLY 37 H GLY 37 9.270 11.385 3.839 252 HA2 GLY 37 1HA GLY 37 11.226 10.579 5.791 253 HA3 GLY 37 2HA GLY 37 11.392 9.730 4.261 254 H GLU 38 H GLU 38 13.348 10.621 3.689 255 HA GLU 38 HA GLU 38 13.256 13.477 2.988 256 HB2 GLU 38 1HB GLU 38 15.667 12.018 4.082 257 HB3 GLU 38 2HB GLU 38 15.605 13.709 3.606 258 HG2 GLU 38 1HG GLU 38 13.936 14.112 5.378 259 HG3 GLU 38 2HG GLU 38 14.112 12.433 5.885 260 H SER 39 H SER 39 15.322 10.605 2.512 261 HA SER 39 HA SER 39 15.390 11.261 -0.361 262 HB2 SER 39 1HB SER 39 17.626 10.415 -0.487 263 HB3 SER 39 2HB SER 39 17.574 11.509 0.895 264 HG SER 39 HG SER 39 17.545 8.677 0.909 265 H GLY 40 H GLY 40 14.358 9.847 -1.596 266 HA2 GLY 40 1HA GLY 40 13.430 7.342 -0.576 267 HA3 GLY 40 2HA GLY 40 13.235 7.933 -2.220 268 HA PRO 41 HA PRO 41 16.103 4.335 -2.430 269 HB2 PRO 41 1HB PRO 41 15.038 3.344 -4.723 270 HB3 PRO 41 2HB PRO 41 14.386 2.974 -3.122 271 HG2 PRO 41 1HG PRO 41 13.437 4.974 -5.138 272 HG3 PRO 41 2HG PRO 41 12.490 3.858 -4.138 273 HD2 PRO 41 1HD PRO 41 12.782 6.477 -3.518 274 HD3 PRO 41 2HD PRO 41 12.614 5.216 -2.280 275 H SER 42 H SER 42 15.693 7.197 -4.008 276 HA SER 42 HA SER 42 16.795 8.334 -5.650 277 HB2 SER 42 1HB SER 42 19.109 8.294 -5.456 278 HB3 SER 42 2HB SER 42 18.621 7.577 -3.921 279 HG SER 42 HG SER 42 18.810 5.504 -5.182 280 H SER 43 H SER 43 15.173 6.397 -6.706 281 HA SER 43 HA SER 43 16.779 5.218 -8.875 282 HB2 SER 43 1HB SER 43 15.397 3.676 -7.397 283 HB3 SER 43 2HB SER 43 13.967 4.421 -8.111 284 HG SER 43 HG SER 43 16.018 3.294 -9.695 285 H GLY 44 H GLY 44 15.657 5.092 -11.008 286 HA2 GLY 44 1HA GLY 44 13.838 7.372 -11.438 287 HA3 GLY 44 2HA GLY 44 15.279 7.189 -12.428 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.198 13.310 -20.176 2 HA2 GLY 1 1HA GLY 1 -10.441 12.473 -21.536 3 HA3 GLY 1 2HA GLY 1 -9.932 12.088 -19.898 4 H SER 2 H SER 2 -9.910 9.976 -19.210 5 HA SER 2 HA SER 2 -10.737 7.938 -21.163 6 HB2 SER 2 1HB SER 2 -8.710 6.739 -20.945 7 HB3 SER 2 2HB SER 2 -8.217 8.421 -21.133 8 HG SER 2 HG SER 2 -8.451 7.012 -18.678 9 H SER 3 H SER 3 -10.996 5.773 -20.212 10 HA SER 3 HA SER 3 -11.478 5.769 -17.323 11 HB2 SER 3 1HB SER 3 -13.592 6.267 -18.788 12 HB3 SER 3 2HB SER 3 -13.533 4.538 -19.129 13 HG SER 3 HG SER 3 -13.368 5.432 -16.473 14 H GLY 4 H GLY 4 -11.994 3.499 -16.544 15 HA2 GLY 4 1HA GLY 4 -10.889 1.389 -18.234 16 HA3 GLY 4 2HA GLY 4 -10.021 1.749 -16.749 17 H SER 5 H SER 5 -11.496 1.801 -14.748 18 HA SER 5 HA SER 5 -13.879 0.281 -14.728 19 HB2 SER 5 1HB SER 5 -13.015 -1.746 -13.583 20 HB3 SER 5 2HB SER 5 -12.413 -1.599 -15.234 21 HG SER 5 HG SER 5 -10.877 -0.459 -13.211 22 H SER 6 H SER 6 -14.900 0.386 -12.765 23 HA SER 6 HA SER 6 -13.705 2.173 -10.821 24 HB2 SER 6 1HB SER 6 -16.113 2.333 -11.611 25 HB3 SER 6 2HB SER 6 -16.429 0.874 -10.672 26 HG SER 6 HG SER 6 -16.887 2.634 -9.386 27 H GLY 7 H GLY 7 -12.233 1.187 -9.550 28 HA2 GLY 7 1HA GLY 7 -12.786 -0.230 -7.336 29 HA3 GLY 7 2HA GLY 7 -12.689 -1.498 -8.549 30 H THR 8 H THR 8 -10.883 1.160 -7.072 31 HA THR 8 HA THR 8 -8.425 0.999 -8.139 32 HB THR 8 HB THR 8 -8.920 1.030 -5.155 33 HG1 THR 8 HG1 THR 8 -8.601 3.426 -5.760 34 HG21 THR 8 3HG2 THR 8 -6.517 0.839 -6.446 35 HG22 THR 8 1HG2 THR 8 -6.753 1.550 -4.850 36 HG23 THR 8 2HG2 THR 8 -6.703 2.585 -6.277 37 H GLY 9 H GLY 9 -9.615 -1.221 -5.616 38 HA2 GLY 9 1HA GLY 9 -8.124 -3.407 -6.722 39 HA3 GLY 9 2HA GLY 9 -7.409 -2.799 -5.237 40 H GLU 10 H GLU 10 -8.534 -5.415 -5.699 41 HA GLU 10 HA GLU 10 -11.004 -5.389 -4.138 42 HB2 GLU 10 1HB GLU 10 -9.630 -7.384 -5.880 43 HB3 GLU 10 2HB GLU 10 -10.688 -7.980 -4.608 44 HG2 GLU 10 1HG GLU 10 -12.513 -6.596 -5.524 45 HG3 GLU 10 2HG GLU 10 -11.446 -6.109 -6.839 46 H LYS 11 H LYS 11 -8.751 -4.575 -2.729 47 HA LYS 11 HA LYS 11 -8.419 -6.818 -0.850 48 HB2 LYS 11 1HB LYS 11 -6.368 -5.038 -2.064 49 HB3 LYS 11 2HB LYS 11 -6.158 -5.473 -0.373 50 HG2 LYS 11 1HG LYS 11 -5.745 -7.662 -0.840 51 HG3 LYS 11 2HG LYS 11 -6.733 -7.652 -2.303 52 HD2 LYS 11 1HD LYS 11 -4.269 -5.988 -2.268 53 HD3 LYS 11 2HD LYS 11 -4.085 -7.739 -2.400 54 HE2 LYS 11 1HE LYS 11 -4.190 -7.029 -4.616 55 HE3 LYS 11 2HE LYS 11 -5.832 -7.572 -4.277 56 HZ1 LYS 11 3HZ LYS 11 -6.645 -5.506 -4.481 57 HZ2 LYS 11 1HZ LYS 11 -5.229 -5.205 -5.357 58 HZ3 LYS 11 2HZ LYS 11 -5.320 -4.777 -3.724 59 HA PRO 12 HA PRO 12 -9.991 -4.045 2.185 60 HB2 PRO 12 1HB PRO 12 -8.984 -5.225 4.413 61 HB3 PRO 12 2HB PRO 12 -10.331 -5.905 3.492 62 HG2 PRO 12 1HG PRO 12 -7.430 -6.640 3.428 63 HG3 PRO 12 2HG PRO 12 -8.853 -7.699 3.432 64 HD2 PRO 12 1HD PRO 12 -7.475 -7.118 1.174 65 HD3 PRO 12 2HD PRO 12 -9.225 -7.416 1.175 66 H TYR 13 H TYR 13 -6.714 -4.370 1.457 67 HA TYR 13 HA TYR 13 -5.984 -2.208 3.320 68 HB2 TYR 13 1HB TYR 13 -3.980 -3.927 1.886 69 HB3 TYR 13 2HB TYR 13 -3.780 -3.004 3.371 70 HD1 TYR 13 HD2 TYR 13 -4.843 -3.835 5.480 71 HD2 TYR 13 HD1 TYR 13 -4.735 -6.175 1.928 72 HE1 TYR 13 HE2 TYR 13 -5.319 -5.853 6.802 73 HE2 TYR 13 HE1 TYR 13 -5.213 -8.199 3.240 74 HH TYR 13 HH TYR 13 -4.825 -8.889 5.766 75 H GLU 14 H GLU 14 -5.455 -0.282 2.512 76 HA GLU 14 HA GLU 14 -4.344 -0.001 -0.138 77 HB2 GLU 14 1HB GLU 14 -7.167 0.723 0.490 78 HB3 GLU 14 2HB GLU 14 -6.251 1.801 -0.554 79 HG2 GLU 14 1HG GLU 14 -7.208 0.428 -2.101 80 HG3 GLU 14 2HG GLU 14 -5.679 -0.406 -1.831 81 H CYS 15 H CYS 15 -3.032 1.725 -0.250 82 HA CYS 15 HA CYS 15 -2.472 3.227 2.084 83 HB2 CYS 15 1HB CYS 15 -0.992 2.616 -0.028 84 HB3 CYS 15 2HB CYS 15 -1.569 4.179 -0.599 85 H ASN 16 H ASN 16 -2.151 5.765 1.664 86 HA ASN 16 HA ASN 16 -4.776 6.781 0.793 87 HB2 ASN 16 1HB ASN 16 -4.605 6.976 3.189 88 HB3 ASN 16 2HB ASN 16 -3.010 7.712 3.062 89 HD21 ASN 16 1HD2 ASN 16 -5.311 8.770 4.388 90 HD22 ASN 16 2HD2 ASN 16 -5.699 10.266 3.617 91 H GLU 17 H GLU 17 -1.333 7.561 1.117 92 HA GLU 17 HA GLU 17 -1.505 9.961 -0.421 93 HB2 GLU 17 1HB GLU 17 0.680 8.326 0.764 94 HB3 GLU 17 2HB GLU 17 1.105 9.414 -0.549 95 HG2 GLU 17 1HG GLU 17 -0.504 10.461 1.723 96 HG3 GLU 17 2HG GLU 17 1.224 10.193 1.944 97 H CYS 18 H CYS 18 -0.182 6.724 -1.105 98 HA CYS 18 HA CYS 18 -0.077 7.383 -3.951 99 HB2 CYS 18 1HB CYS 18 1.357 5.534 -4.224 100 HB3 CYS 18 2HB CYS 18 1.839 6.243 -2.686 101 H GLN 19 H GLN 19 -2.100 5.844 -1.718 102 HA GLN 19 HA GLN 19 -3.944 4.518 -1.891 103 HB2 GLN 19 1HB GLN 19 -4.079 5.528 -4.732 104 HB3 GLN 19 2HB GLN 19 -5.413 4.963 -3.735 105 HG2 GLN 19 1HG GLN 19 -4.606 6.940 -2.177 106 HG3 GLN 19 2HG GLN 19 -3.984 7.559 -3.706 107 HE21 GLN 19 1HE2 GLN 19 -6.705 7.156 -1.732 108 HE22 GLN 19 2HE2 GLN 19 -7.893 7.770 -2.827 109 H LYS 20 H LYS 20 -1.816 2.974 -2.063 110 HA LYS 20 HA LYS 20 -2.265 1.213 -4.381 111 HB2 LYS 20 1HB LYS 20 0.042 2.218 -4.036 112 HB3 LYS 20 2HB LYS 20 0.165 1.221 -2.593 113 HG2 LYS 20 1HG LYS 20 -0.104 -0.789 -3.953 114 HG3 LYS 20 2HG LYS 20 -0.232 0.210 -5.403 115 HD2 LYS 20 1HD LYS 20 2.001 0.790 -5.360 116 HD3 LYS 20 2HD LYS 20 2.149 0.506 -3.624 117 HE2 LYS 20 1HE LYS 20 1.761 -1.955 -4.168 118 HE3 LYS 20 2HE LYS 20 2.046 -1.511 -5.850 119 HZ1 LYS 20 3HZ LYS 20 4.196 -1.747 -5.428 120 HZ2 LYS 20 1HZ LYS 20 3.928 -1.936 -3.769 121 HZ3 LYS 20 2HZ LYS 20 4.116 -0.388 -4.424 122 H ALA 21 H ALA 21 -3.129 -0.727 -4.033 123 HA ALA 21 HA ALA 21 -3.811 -1.540 -1.359 124 HB1 ALA 21 3HB ALA 21 -4.257 -2.932 -3.996 125 HB2 ALA 21 1HB ALA 21 -4.959 -3.408 -2.450 126 HB3 ALA 21 2HB ALA 21 -5.394 -1.861 -3.177 127 H PHE 22 H PHE 22 -3.216 -3.503 -0.351 128 HA PHE 22 HA PHE 22 -0.808 -4.802 -1.427 129 HB2 PHE 22 1HB PHE 22 -1.231 -3.816 1.398 130 HB3 PHE 22 2HB PHE 22 0.054 -4.927 0.937 131 HD1 PHE 22 HD2 PHE 22 -1.325 -1.570 0.122 132 HD2 PHE 22 HD1 PHE 22 2.097 -4.097 0.248 133 HE1 PHE 22 HE2 PHE 22 0.103 0.341 -0.479 134 HE2 PHE 22 HE1 PHE 22 3.532 -2.189 -0.352 135 HZ PHE 22 HZ PHE 22 2.535 0.033 -0.717 136 H ASN 23 H ASN 23 -0.317 -6.838 -0.016 137 HA ASN 23 HA ASN 23 -2.661 -8.495 -0.170 138 HB2 ASN 23 1HB ASN 23 -0.450 -9.324 -0.880 139 HB3 ASN 23 2HB ASN 23 0.135 -9.168 0.773 140 HD21 ASN 23 1HD2 ASN 23 0.100 -10.943 1.933 141 HD22 ASN 23 2HD2 ASN 23 -0.931 -12.307 1.682 142 H THR 24 H THR 24 -0.427 -7.543 2.433 143 HA THR 24 HA THR 24 -2.583 -8.111 4.360 144 HB THR 24 HB THR 24 -0.850 -8.757 6.013 145 HG1 THR 24 HG1 THR 24 1.225 -9.394 4.779 146 HG21 THR 24 3HG2 THR 24 -0.111 -10.892 4.616 147 HG22 THR 24 1HG2 THR 24 -1.334 -10.278 3.505 148 HG23 THR 24 2HG2 THR 24 -1.771 -10.671 5.168 149 H LYS 25 H LYS 25 -2.195 -6.976 6.494 150 HA LYS 25 HA LYS 25 -1.938 -4.189 6.019 151 HB2 LYS 25 1HB LYS 25 -3.442 -5.068 7.732 152 HB3 LYS 25 2HB LYS 25 -2.074 -5.726 8.620 153 HG2 LYS 25 1HG LYS 25 -2.552 -3.783 9.772 154 HG3 LYS 25 2HG LYS 25 -1.241 -3.286 8.699 155 HD2 LYS 25 1HD LYS 25 -2.700 -1.572 8.323 156 HD3 LYS 25 2HD LYS 25 -3.270 -2.705 7.096 157 HE2 LYS 25 1HE LYS 25 -4.418 -2.504 9.876 158 HE3 LYS 25 2HE LYS 25 -5.077 -1.661 8.475 159 HZ1 LYS 25 3HZ LYS 25 -5.210 -3.956 7.426 160 HZ2 LYS 25 1HZ LYS 25 -6.327 -3.603 8.648 161 HZ3 LYS 25 2HZ LYS 25 -4.981 -4.570 8.986 162 H SER 26 H SER 26 -0.000 -6.387 8.058 163 HA SER 26 HA SER 26 1.967 -4.783 8.947 164 HB2 SER 26 1HB SER 26 1.977 -7.611 8.005 165 HB3 SER 26 2HB SER 26 3.534 -6.852 8.332 166 HG SER 26 HG SER 26 3.088 -7.407 10.315 167 H ASN 27 H ASN 27 1.860 -6.195 5.690 168 HA ASN 27 HA ASN 27 4.286 -5.136 4.766 169 HB2 ASN 27 1HB ASN 27 1.808 -5.716 3.129 170 HB3 ASN 27 2HB ASN 27 3.462 -5.619 2.531 171 HD21 ASN 27 1HD2 ASN 27 2.232 -7.820 1.880 172 HD22 ASN 27 2HD2 ASN 27 2.728 -9.165 2.843 173 H LEU 28 H LEU 28 0.967 -3.902 4.391 174 HA LEU 28 HA LEU 28 1.597 -1.581 2.978 175 HB2 LEU 28 1HB LEU 28 -0.657 -2.153 3.033 176 HB3 LEU 28 2HB LEU 28 -0.661 -2.351 4.784 177 HG LEU 28 HG LEU 28 -0.366 0.162 4.931 178 HD11 LEU 28 1HD1 LEU 28 -0.667 -0.190 1.999 179 HD12 LEU 28 2HD1 LEU 28 0.296 0.973 2.908 180 HD13 LEU 28 3HD1 LEU 28 -1.446 1.201 2.755 181 HD21 LEU 28 3HD2 LEU 28 -2.842 -1.127 3.818 182 HD22 LEU 28 1HD2 LEU 28 -2.803 0.562 4.326 183 HD23 LEU 28 2HD2 LEU 28 -2.473 -0.717 5.494 184 H MET 29 H MET 29 1.207 -2.052 6.484 185 HA MET 29 HA MET 29 1.585 0.504 7.388 186 HB2 MET 29 1HB MET 29 2.515 -2.120 8.542 187 HB3 MET 29 2HB MET 29 2.708 -0.597 9.399 188 HG2 MET 29 1HG MET 29 0.048 -1.572 8.411 189 HG3 MET 29 2HG MET 29 0.691 -1.990 9.997 190 HE1 MET 29 3HE MET 29 -0.922 -0.600 11.839 191 HE2 MET 29 1HE MET 29 0.838 -0.702 11.889 192 HE3 MET 29 2HE MET 29 0.036 0.839 12.192 193 H VAL 30 H VAL 30 4.196 -1.892 6.953 194 HA VAL 30 HA VAL 30 6.338 -0.207 7.477 195 HB VAL 30 HB VAL 30 6.251 -2.536 5.554 196 HG11 VAL 30 1HG1 VAL 30 8.436 -0.781 6.491 197 HG12 VAL 30 2HG1 VAL 30 8.775 -2.512 6.446 198 HG13 VAL 30 3HG1 VAL 30 8.265 -1.674 4.980 199 HG21 VAL 30 3HG2 VAL 30 5.625 -2.787 8.077 200 HG22 VAL 30 1HG2 VAL 30 6.718 -3.945 7.318 201 HG23 VAL 30 2HG2 VAL 30 7.366 -2.648 8.322 202 H HIS 31 H HIS 31 4.500 -0.662 4.519 203 HA HIS 31 HA HIS 31 6.256 0.756 2.804 204 HB2 HIS 31 1HB HIS 31 4.758 -0.594 1.649 205 HB3 HIS 31 2HB HIS 31 3.392 -0.109 2.649 206 HD1 HIS 31 HD1 HIS 31 5.585 1.240 -0.126 207 HD2 HIS 31 HD2 HIS 31 1.874 1.915 1.615 208 HE1 HIS 31 HE1 HIS 31 4.450 2.935 -1.597 209 H GLN 32 H GLN 32 3.084 1.747 4.109 210 HA GLN 32 HA GLN 32 2.865 4.293 3.361 211 HB2 GLN 32 1HB GLN 32 2.356 3.069 6.053 212 HB3 GLN 32 2HB GLN 32 2.042 4.778 5.779 213 HG2 GLN 32 1HG GLN 32 0.904 2.823 3.859 214 HG3 GLN 32 2HG GLN 32 0.176 2.944 5.460 215 HE21 GLN 32 1HE2 GLN 32 -1.736 3.794 4.689 216 HE22 GLN 32 2HE2 GLN 32 -1.860 5.402 4.070 217 H ARG 33 H ARG 33 5.096 3.161 5.851 218 HA ARG 33 HA ARG 33 6.008 5.612 6.796 219 HB2 ARG 33 1HB ARG 33 7.464 2.983 6.485 220 HB3 ARG 33 2HB ARG 33 8.119 4.364 7.356 221 HG2 ARG 33 1HG ARG 33 5.892 4.231 8.696 222 HG3 ARG 33 2HG ARG 33 5.842 2.580 8.075 223 HD2 ARG 33 1HD ARG 33 8.032 2.134 9.036 224 HD3 ARG 33 2HD ARG 33 8.134 3.797 9.611 225 HE ARG 33 HE ARG 33 5.839 2.840 10.727 226 HH11 ARG 33 1HH1 ARG 33 9.167 1.817 10.703 227 HH12 ARG 33 2HH1 ARG 33 9.088 1.082 12.271 228 HH21 ARG 33 1HH2 ARG 33 5.723 1.876 12.791 229 HH22 ARG 33 2HH2 ARG 33 7.128 1.116 13.457 230 H THR 34 H THR 34 7.390 3.607 4.193 231 HA THR 34 HA THR 34 9.537 4.976 3.377 232 HB THR 34 HB THR 34 9.093 4.343 1.070 233 HG1 THR 34 HG1 THR 34 7.067 3.668 0.424 234 HG21 THR 34 3HG2 THR 34 7.848 2.040 2.421 235 HG22 THR 34 1HG2 THR 34 9.347 2.619 3.144 236 HG23 THR 34 2HG2 THR 34 9.318 2.127 1.451 237 H HIS 35 H HIS 35 6.198 5.950 2.692 238 HA HIS 35 HA HIS 35 6.666 8.112 1.032 239 HB2 HIS 35 1HB HIS 35 4.524 7.619 3.095 240 HB3 HIS 35 2HB HIS 35 4.520 9.050 2.068 241 HD1 HIS 35 HD1 HIS 35 5.270 7.823 -0.623 242 HD2 HIS 35 HD2 HIS 35 2.542 6.118 2.006 243 HE1 HIS 35 HE1 HIS 35 3.806 6.347 -2.038 244 H THR 36 H THR 36 6.539 8.058 4.582 245 HA THR 36 HA THR 36 6.764 10.648 5.277 246 HB THR 36 HB THR 36 8.092 10.013 7.211 247 HG1 THR 36 HG1 THR 36 9.353 8.440 5.689 248 HG21 THR 36 3HG2 THR 36 6.566 8.568 8.184 249 HG22 THR 36 1HG2 THR 36 6.379 7.611 6.715 250 HG23 THR 36 2HG2 THR 36 5.641 9.209 6.826 251 H GLY 37 H GLY 37 9.192 8.772 3.619 252 HA2 GLY 37 1HA GLY 37 11.053 11.056 3.766 253 HA3 GLY 37 2HA GLY 37 11.522 9.397 3.422 254 H GLU 38 H GLU 38 9.524 12.037 2.116 255 HA GLU 38 HA GLU 38 10.534 11.362 -0.553 256 HB2 GLU 38 1HB GLU 38 8.141 10.470 -0.001 257 HB3 GLU 38 2HB GLU 38 7.661 12.148 -0.214 258 HG2 GLU 38 1HG GLU 38 8.678 12.096 -2.474 259 HG3 GLU 38 2HG GLU 38 8.989 10.376 -2.250 260 H SER 39 H SER 39 10.498 13.105 -2.059 261 HA SER 39 HA SER 39 10.194 15.756 -0.807 262 HB2 SER 39 1HB SER 39 12.268 14.961 -2.865 263 HB3 SER 39 2HB SER 39 12.105 16.543 -2.103 264 HG SER 39 HG SER 39 12.294 15.041 -0.083 265 H GLY 40 H GLY 40 9.477 17.459 -2.138 266 HA2 GLY 40 1HA GLY 40 8.999 17.414 -4.856 267 HA3 GLY 40 2HA GLY 40 7.584 16.673 -4.122 268 HA PRO 41 HA PRO 41 7.445 21.438 -4.093 269 HB2 PRO 41 1HB PRO 41 5.703 21.804 -6.142 270 HB3 PRO 41 2HB PRO 41 7.457 21.778 -6.365 271 HG2 PRO 41 1HG PRO 41 5.455 19.601 -6.833 272 HG3 PRO 41 2HG PRO 41 6.836 20.085 -7.834 273 HD2 PRO 41 1HD PRO 41 6.918 17.947 -6.175 274 HD3 PRO 41 2HD PRO 41 8.348 18.940 -6.525 275 H SER 42 H SER 42 5.456 18.747 -3.807 276 HA SER 42 HA SER 42 2.885 19.692 -3.566 277 HB2 SER 42 1HB SER 42 3.857 17.291 -3.240 278 HB3 SER 42 2HB SER 42 3.950 17.748 -1.539 279 HG SER 42 HG SER 42 1.666 17.549 -3.190 280 H SER 43 H SER 43 1.760 20.890 -2.141 281 HA SER 43 HA SER 43 2.612 21.356 0.544 282 HB2 SER 43 1HB SER 43 3.273 23.615 0.443 283 HB3 SER 43 2HB SER 43 4.111 22.864 -0.915 284 HG SER 43 HG SER 43 3.055 24.854 -1.456 285 H GLY 44 H GLY 44 0.810 21.572 1.688 286 HA2 GLY 44 1HA GLY 44 -1.179 23.305 1.668 287 HA3 GLY 44 2HA GLY 44 -1.660 22.306 0.305 Start of MODEL 10 1 H1 GLY 1 H GLY 1 9.251 -0.129 -22.785 2 HA2 GLY 1 1HA GLY 1 7.162 0.921 -24.201 3 HA3 GLY 1 2HA GLY 1 7.294 -0.725 -24.801 4 H SER 2 H SER 2 6.039 1.272 -22.384 5 HA SER 2 HA SER 2 5.167 -1.093 -20.862 6 HB2 SER 2 1HB SER 2 6.871 0.158 -19.578 7 HB3 SER 2 2HB SER 2 5.876 1.609 -19.691 8 HG SER 2 HG SER 2 5.581 -0.627 -18.093 9 H SER 3 H SER 3 3.044 -1.175 -20.308 10 HA SER 3 HA SER 3 1.367 1.090 -21.173 11 HB2 SER 3 1HB SER 3 1.121 -0.959 -22.569 12 HB3 SER 3 2HB SER 3 0.604 -1.840 -21.132 13 HG SER 3 HG SER 3 -0.701 0.284 -22.463 14 H GLY 4 H GLY 4 1.146 -1.788 -19.065 15 HA2 GLY 4 1HA GLY 4 0.982 -1.288 -16.622 16 HA3 GLY 4 2HA GLY 4 -0.198 -0.067 -17.073 17 H SER 5 H SER 5 -0.162 -2.733 -15.482 18 HA SER 5 HA SER 5 -2.531 -3.905 -16.786 19 HB2 SER 5 1HB SER 5 -0.306 -5.271 -16.332 20 HB3 SER 5 2HB SER 5 -0.993 -5.414 -14.714 21 HG SER 5 HG SER 5 -1.954 -6.407 -17.156 22 H SER 6 H SER 6 -3.899 -5.146 -15.047 23 HA SER 6 HA SER 6 -4.010 -4.028 -12.429 24 HB2 SER 6 1HB SER 6 -4.923 -2.078 -13.456 25 HB3 SER 6 2HB SER 6 -5.973 -3.036 -14.499 26 HG SER 6 HG SER 6 -6.170 -2.651 -11.701 27 H GLY 7 H GLY 7 -5.021 -5.422 -11.115 28 HA2 GLY 7 1HA GLY 7 -6.332 -7.725 -12.324 29 HA3 GLY 7 2HA GLY 7 -5.848 -7.564 -10.642 30 H THR 8 H THR 8 -8.452 -7.982 -12.465 31 HA THR 8 HA THR 8 -10.292 -6.028 -11.628 32 HB THR 8 HB THR 8 -10.894 -8.910 -12.318 33 HG1 THR 8 HG1 THR 8 -9.706 -7.298 -13.859 34 HG21 THR 8 3HG2 THR 8 -12.550 -6.449 -11.988 35 HG22 THR 8 1HG2 THR 8 -12.894 -8.109 -11.502 36 HG23 THR 8 2HG2 THR 8 -13.022 -7.641 -13.198 37 H GLY 9 H GLY 9 -10.566 -5.565 -9.526 38 HA2 GLY 9 1HA GLY 9 -12.099 -6.845 -7.765 39 HA3 GLY 9 2HA GLY 9 -10.579 -7.697 -7.541 40 H GLU 10 H GLU 10 -10.239 -7.013 -5.446 41 HA GLU 10 HA GLU 10 -8.967 -4.489 -5.141 42 HB2 GLU 10 1HB GLU 10 -11.527 -4.027 -5.041 43 HB3 GLU 10 2HB GLU 10 -11.426 -4.752 -3.443 44 HG2 GLU 10 1HG GLU 10 -10.109 -3.044 -2.606 45 HG3 GLU 10 2HG GLU 10 -9.584 -2.529 -4.208 46 H LYS 11 H LYS 11 -8.482 -4.093 -2.718 47 HA LYS 11 HA LYS 11 -8.150 -6.668 -1.333 48 HB2 LYS 11 1HB LYS 11 -6.052 -4.500 -1.542 49 HB3 LYS 11 2HB LYS 11 -5.894 -6.010 -0.655 50 HG2 LYS 11 1HG LYS 11 -6.326 -5.853 -3.628 51 HG3 LYS 11 2HG LYS 11 -4.740 -5.967 -2.862 52 HD2 LYS 11 1HD LYS 11 -6.913 -7.966 -2.309 53 HD3 LYS 11 2HD LYS 11 -5.821 -8.137 -3.685 54 HE2 LYS 11 1HE LYS 11 -4.925 -7.850 -0.820 55 HE3 LYS 11 2HE LYS 11 -5.108 -9.392 -1.655 56 HZ1 LYS 11 3HZ LYS 11 -2.880 -7.773 -1.632 57 HZ2 LYS 11 1HZ LYS 11 -3.530 -7.598 -3.184 58 HZ3 LYS 11 2HZ LYS 11 -3.135 -9.136 -2.601 59 HA PRO 12 HA PRO 12 -9.713 -4.637 2.234 60 HB2 PRO 12 1HB PRO 12 -8.445 -6.017 4.199 61 HB3 PRO 12 2HB PRO 12 -9.758 -6.704 3.236 62 HG2 PRO 12 1HG PRO 12 -6.801 -7.060 2.934 63 HG3 PRO 12 2HG PRO 12 -8.091 -8.272 2.826 64 HD2 PRO 12 1HD PRO 12 -6.927 -7.183 0.637 65 HD3 PRO 12 2HD PRO 12 -8.628 -7.690 0.661 66 H TYR 13 H TYR 13 -6.419 -4.524 1.399 67 HA TYR 13 HA TYR 13 -5.946 -2.419 3.408 68 HB2 TYR 13 1HB TYR 13 -3.835 -4.196 2.173 69 HB3 TYR 13 2HB TYR 13 -3.611 -3.024 3.467 70 HD1 TYR 13 HD2 TYR 13 -4.869 -3.451 5.669 71 HD2 TYR 13 HD1 TYR 13 -4.331 -6.423 2.672 72 HE1 TYR 13 HE2 TYR 13 -5.305 -5.205 7.337 73 HE2 TYR 13 HE1 TYR 13 -4.767 -8.185 4.332 74 HH TYR 13 HH TYR 13 -5.186 -7.426 7.749 75 H GLU 14 H GLU 14 -5.473 -0.461 2.644 76 HA GLU 14 HA GLU 14 -4.321 -0.179 -0.026 77 HB2 GLU 14 1HB GLU 14 -7.016 0.767 0.821 78 HB3 GLU 14 2HB GLU 14 -6.070 1.816 -0.225 79 HG2 GLU 14 1HG GLU 14 -5.794 -0.255 -1.713 80 HG3 GLU 14 2HG GLU 14 -7.128 -0.927 -0.779 81 H CYS 15 H CYS 15 -3.144 1.708 -0.340 82 HA CYS 15 HA CYS 15 -2.096 2.904 2.034 83 HB2 CYS 15 1HB CYS 15 -0.990 2.446 -0.329 84 HB3 CYS 15 2HB CYS 15 -1.572 4.073 -0.663 85 H ASN 16 H ASN 16 -1.717 5.463 1.772 86 HA ASN 16 HA ASN 16 -4.386 6.652 1.385 87 HB2 ASN 16 1HB ASN 16 -4.190 6.831 3.670 88 HB3 ASN 16 2HB ASN 16 -2.431 6.910 3.621 89 HD21 ASN 16 1HD2 ASN 16 -5.196 8.786 2.416 90 HD22 ASN 16 2HD2 ASN 16 -4.570 10.326 2.885 91 H GLU 17 H GLU 17 -0.907 7.085 1.140 92 HA GLU 17 HA GLU 17 -1.122 9.717 -0.014 93 HB2 GLU 17 1HB GLU 17 1.200 7.817 0.321 94 HB3 GLU 17 2HB GLU 17 1.349 9.401 -0.428 95 HG2 GLU 17 1HG GLU 17 0.303 8.985 2.358 96 HG3 GLU 17 2HG GLU 17 2.002 9.272 1.987 97 H CYS 18 H CYS 18 -0.128 6.512 -1.210 98 HA CYS 18 HA CYS 18 -0.362 7.482 -3.959 99 HB2 CYS 18 1HB CYS 18 0.790 5.462 -4.611 100 HB3 CYS 18 2HB CYS 18 1.661 6.199 -3.271 101 H GLN 19 H GLN 19 -2.079 5.664 -1.632 102 HA GLN 19 HA GLN 19 -4.079 4.581 -1.677 103 HB2 GLN 19 1HB GLN 19 -4.285 5.904 -4.386 104 HB3 GLN 19 2HB GLN 19 -5.605 5.055 -3.592 105 HG2 GLN 19 1HG GLN 19 -6.090 7.196 -3.001 106 HG3 GLN 19 2HG GLN 19 -5.076 6.724 -1.638 107 HE21 GLN 19 1HE2 GLN 19 -4.981 9.153 -1.565 108 HE22 GLN 19 2HE2 GLN 19 -3.694 9.910 -2.433 109 H LYS 20 H LYS 20 -1.993 2.973 -2.159 110 HA LYS 20 HA LYS 20 -2.738 1.322 -4.473 111 HB2 LYS 20 1HB LYS 20 -0.203 1.663 -2.913 112 HB3 LYS 20 2HB LYS 20 -0.486 0.166 -3.793 113 HG2 LYS 20 1HG LYS 20 -0.923 1.648 -5.825 114 HG3 LYS 20 2HG LYS 20 -0.195 2.946 -4.876 115 HD2 LYS 20 1HD LYS 20 1.889 1.939 -4.856 116 HD3 LYS 20 2HD LYS 20 1.228 0.331 -5.163 117 HE2 LYS 20 1HE LYS 20 2.222 0.910 -7.187 118 HE3 LYS 20 2HE LYS 20 0.519 1.289 -7.442 119 HZ1 LYS 20 3HZ LYS 20 0.922 3.504 -7.484 120 HZ2 LYS 20 1HZ LYS 20 2.434 2.982 -8.035 121 HZ3 LYS 20 2HZ LYS 20 2.229 3.421 -6.414 122 H ALA 21 H ALA 21 -3.327 -0.797 -4.243 123 HA ALA 21 HA ALA 21 -4.193 -1.599 -1.592 124 HB1 ALA 21 3HB ALA 21 -5.881 -2.222 -2.946 125 HB2 ALA 21 1HB ALA 21 -4.835 -2.366 -4.359 126 HB3 ALA 21 2HB ALA 21 -4.901 -3.671 -3.174 127 H PHE 22 H PHE 22 -3.559 -3.477 -0.526 128 HA PHE 22 HA PHE 22 -1.213 -4.877 -1.610 129 HB2 PHE 22 1HB PHE 22 -1.514 -3.706 1.157 130 HB3 PHE 22 2HB PHE 22 -0.299 -4.915 0.753 131 HD1 PHE 22 HD2 PHE 22 -1.546 -1.627 -0.495 132 HD2 PHE 22 HD1 PHE 22 1.794 -4.176 0.185 133 HE1 PHE 22 HE2 PHE 22 -0.034 0.156 -1.261 134 HE2 PHE 22 HE1 PHE 22 3.312 -2.396 -0.579 135 HZ PHE 22 HZ PHE 22 2.398 -0.228 -1.305 136 H ASN 23 H ASN 23 -0.714 -6.785 0.078 137 HA ASN 23 HA ASN 23 -3.197 -8.323 0.176 138 HB2 ASN 23 1HB ASN 23 -1.366 -10.156 0.812 139 HB3 ASN 23 2HB ASN 23 -1.680 -9.692 -0.858 140 HD21 ASN 23 1HD2 ASN 23 0.689 -10.279 1.295 141 HD22 ASN 23 2HD2 ASN 23 1.960 -9.329 0.612 142 H THR 24 H THR 24 -0.394 -7.624 2.258 143 HA THR 24 HA THR 24 -2.073 -8.273 4.592 144 HB THR 24 HB THR 24 0.038 -8.621 5.837 145 HG1 THR 24 HG1 THR 24 1.945 -8.879 4.384 146 HG21 THR 24 3HG2 THR 24 -1.127 -10.512 4.744 147 HG22 THR 24 1HG2 THR 24 0.616 -10.757 4.845 148 HG23 THR 24 2HG2 THR 24 -0.120 -10.277 3.316 149 H LYS 25 H LYS 25 -1.601 -7.011 6.568 150 HA LYS 25 HA LYS 25 -1.596 -4.202 5.960 151 HB2 LYS 25 1HB LYS 25 -3.082 -5.111 7.681 152 HB3 LYS 25 2HB LYS 25 -1.692 -5.648 8.615 153 HG2 LYS 25 1HG LYS 25 -2.315 -3.691 9.675 154 HG3 LYS 25 2HG LYS 25 -1.006 -3.166 8.614 155 HD2 LYS 25 1HD LYS 25 -2.594 -1.547 8.206 156 HD3 LYS 25 2HD LYS 25 -2.954 -2.710 6.928 157 HE2 LYS 25 1HE LYS 25 -5.036 -2.136 7.872 158 HE3 LYS 25 2HE LYS 25 -4.642 -3.727 8.521 159 HZ1 LYS 25 3HZ LYS 25 -3.775 -2.566 10.522 160 HZ2 LYS 25 1HZ LYS 25 -5.440 -2.380 10.291 161 HZ3 LYS 25 2HZ LYS 25 -4.386 -1.115 9.905 162 H SER 26 H SER 26 0.415 -6.244 8.087 163 HA SER 26 HA SER 26 2.289 -4.499 8.939 164 HB2 SER 26 1HB SER 26 3.945 -6.388 8.836 165 HB3 SER 26 2HB SER 26 2.409 -6.814 9.591 166 HG SER 26 HG SER 26 1.955 -7.404 7.177 167 H ASN 27 H ASN 27 1.980 -5.764 5.689 168 HA ASN 27 HA ASN 27 4.488 -4.725 4.767 169 HB2 ASN 27 1HB ASN 27 2.100 -5.983 3.461 170 HB3 ASN 27 2HB ASN 27 3.303 -5.164 2.470 171 HD21 ASN 27 1HD2 ASN 27 3.899 -7.083 1.470 172 HD22 ASN 27 2HD2 ASN 27 4.837 -8.287 2.279 173 H LEU 28 H LEU 28 1.117 -3.678 4.640 174 HA LEU 28 HA LEU 28 1.610 -1.398 3.003 175 HB2 LEU 28 1HB LEU 28 -0.587 -2.296 3.034 176 HB3 LEU 28 2HB LEU 28 -0.675 -2.189 4.791 177 HG LEU 28 HG LEU 28 -0.514 0.359 4.427 178 HD11 LEU 28 1HD1 LEU 28 0.075 0.580 2.184 179 HD12 LEU 28 2HD1 LEU 28 -1.649 0.952 2.205 180 HD13 LEU 28 3HD1 LEU 28 -1.095 -0.631 1.658 181 HD21 LEU 28 3HD2 LEU 28 -3.033 -0.949 3.437 182 HD22 LEU 28 1HD2 LEU 28 -2.860 0.532 4.379 183 HD23 LEU 28 2HD2 LEU 28 -2.523 -1.030 5.124 184 H MET 29 H MET 29 0.944 -1.756 6.488 185 HA MET 29 HA MET 29 1.088 0.818 7.339 186 HB2 MET 29 1HB MET 29 1.782 0.011 9.483 187 HB3 MET 29 2HB MET 29 0.730 -1.206 8.772 188 HG2 MET 29 1HG MET 29 2.625 -2.566 8.179 189 HG3 MET 29 2HG MET 29 3.736 -1.317 8.737 190 HE1 MET 29 3HE MET 29 3.516 -0.263 10.884 191 HE2 MET 29 1HE MET 29 2.498 -0.805 12.218 192 HE3 MET 29 2HE MET 29 4.164 -1.368 12.097 193 H VAL 30 H VAL 30 3.837 -1.288 6.595 194 HA VAL 30 HA VAL 30 5.788 0.708 7.279 195 HB VAL 30 HB VAL 30 6.086 -1.899 5.781 196 HG11 VAL 30 1HG1 VAL 30 7.972 0.276 6.352 197 HG12 VAL 30 2HG1 VAL 30 8.543 -1.336 6.789 198 HG13 VAL 30 3HG1 VAL 30 8.039 -0.996 5.133 199 HG21 VAL 30 3HG2 VAL 30 5.991 -2.869 7.777 200 HG22 VAL 30 1HG2 VAL 30 7.369 -1.904 8.305 201 HG23 VAL 30 2HG2 VAL 30 5.728 -1.303 8.543 202 H HIS 31 H HIS 31 4.101 -0.300 4.400 203 HA HIS 31 HA HIS 31 5.837 0.994 2.540 204 HB2 HIS 31 1HB HIS 31 4.543 -0.720 1.603 205 HB3 HIS 31 2HB HIS 31 3.066 -0.158 2.380 206 HD1 HIS 31 HD1 HIS 31 5.324 0.580 -0.533 207 HD2 HIS 31 HD2 HIS 31 1.620 1.730 0.958 208 HE1 HIS 31 HE1 HIS 31 4.251 1.928 -2.365 209 H GLN 32 H GLN 32 3.433 2.092 4.687 210 HA GLN 32 HA GLN 32 2.728 4.447 3.168 211 HB2 GLN 32 1HB GLN 32 2.109 3.674 6.024 212 HB3 GLN 32 2HB GLN 32 1.442 5.070 5.189 213 HG2 GLN 32 1HG GLN 32 0.574 3.377 3.470 214 HG3 GLN 32 2HG GLN 32 0.914 2.166 4.705 215 HE21 GLN 32 1HE2 GLN 32 -1.574 2.191 4.036 216 HE22 GLN 32 2HE2 GLN 32 -2.577 3.021 5.171 217 H ARG 33 H ARG 33 4.549 3.749 6.142 218 HA ARG 33 HA ARG 33 5.378 6.453 6.513 219 HB2 ARG 33 1HB ARG 33 6.912 5.499 8.212 220 HB3 ARG 33 2HB ARG 33 5.248 4.969 8.416 221 HG2 ARG 33 1HG ARG 33 6.059 2.930 6.974 222 HG3 ARG 33 2HG ARG 33 7.644 3.424 7.573 223 HD2 ARG 33 1HD ARG 33 5.298 3.016 9.404 224 HD3 ARG 33 2HD ARG 33 6.360 1.689 8.935 225 HE ARG 33 HE ARG 33 7.693 4.013 10.027 226 HH11 ARG 33 1HH1 ARG 33 6.270 0.900 10.665 227 HH12 ARG 33 2HH1 ARG 33 7.141 0.660 12.143 228 HH21 ARG 33 1HH2 ARG 33 8.845 3.708 11.972 229 HH22 ARG 33 2HH2 ARG 33 8.604 2.258 12.886 230 H THR 34 H THR 34 6.872 3.570 5.116 231 HA THR 34 HA THR 34 9.456 4.453 4.739 232 HB THR 34 HB THR 34 8.505 2.160 4.179 233 HG1 THR 34 HG1 THR 34 10.384 1.901 3.245 234 HG21 THR 34 3HG2 THR 34 6.707 2.953 2.689 235 HG22 THR 34 1HG2 THR 34 7.765 1.789 1.892 236 HG23 THR 34 2HG2 THR 34 7.923 3.510 1.540 237 H HIS 35 H HIS 35 6.577 5.202 2.864 238 HA HIS 35 HA HIS 35 7.393 6.223 0.542 239 HB2 HIS 35 1HB HIS 35 5.393 7.197 2.517 240 HB3 HIS 35 2HB HIS 35 5.794 8.269 1.179 241 HD1 HIS 35 HD1 HIS 35 5.885 6.533 -1.204 242 HD2 HIS 35 HD2 HIS 35 3.127 5.907 1.840 243 HE1 HIS 35 HE1 HIS 35 4.009 5.228 -2.254 244 H THR 36 H THR 36 7.835 7.858 3.654 245 HA THR 36 HA THR 36 9.196 10.101 2.475 246 HB THR 36 HB THR 36 7.888 10.332 4.563 247 HG1 THR 36 HG1 THR 36 9.213 11.896 5.124 248 HG21 THR 36 3HG2 THR 36 9.922 9.349 6.364 249 HG22 THR 36 1HG2 THR 36 9.291 8.051 5.352 250 HG23 THR 36 2HG2 THR 36 8.191 9.013 6.338 251 H GLY 37 H GLY 37 11.343 10.431 2.247 252 HA2 GLY 37 1HA GLY 37 13.448 9.435 3.664 253 HA3 GLY 37 2HA GLY 37 13.094 8.163 2.504 254 H GLU 38 H GLU 38 12.846 9.009 0.178 255 HA GLU 38 HA GLU 38 15.303 10.177 -0.576 256 HB2 GLU 38 1HB GLU 38 13.623 8.621 -1.886 257 HB3 GLU 38 2HB GLU 38 12.968 10.154 -2.441 258 HG2 GLU 38 1HG GLU 38 14.984 10.755 -3.494 259 HG3 GLU 38 2HG GLU 38 15.881 9.479 -2.673 260 H SER 39 H SER 39 15.622 12.206 0.229 261 HA SER 39 HA SER 39 13.761 14.289 -0.713 262 HB2 SER 39 1HB SER 39 15.429 14.407 1.809 263 HB3 SER 39 2HB SER 39 14.221 15.579 1.281 264 HG SER 39 HG SER 39 13.199 14.287 2.731 265 H GLY 40 H GLY 40 15.012 14.537 -2.623 266 HA2 GLY 40 1HA GLY 40 17.649 15.792 -2.167 267 HA3 GLY 40 2HA GLY 40 17.251 14.855 -3.599 268 HA PRO 41 HA PRO 41 16.017 18.480 -5.722 269 HB2 PRO 41 1HB PRO 41 13.900 17.614 -7.185 270 HB3 PRO 41 2HB PRO 41 15.568 17.151 -7.542 271 HG2 PRO 41 1HG PRO 41 13.451 15.627 -6.072 272 HG3 PRO 41 2HG PRO 41 14.609 15.048 -7.284 273 HD2 PRO 41 1HD PRO 41 14.971 14.671 -4.627 274 HD3 PRO 41 2HD PRO 41 16.325 14.892 -5.754 275 H SER 42 H SER 42 13.983 19.814 -6.311 276 HA SER 42 HA SER 42 12.844 20.887 -4.084 277 HB2 SER 42 1HB SER 42 12.658 21.995 -6.223 278 HB3 SER 42 2HB SER 42 11.653 20.693 -6.859 279 HG SER 42 HG SER 42 10.980 22.466 -4.747 280 H SER 43 H SER 43 11.610 20.062 -2.546 281 HA SER 43 HA SER 43 9.144 18.790 -3.024 282 HB2 SER 43 1HB SER 43 10.504 16.871 -3.680 283 HB3 SER 43 2HB SER 43 11.392 16.953 -2.158 284 HG SER 43 HG SER 43 9.897 15.580 -1.564 285 H GLY 44 H GLY 44 8.149 19.880 -1.441 286 HA2 GLY 44 1HA GLY 44 9.413 19.980 1.214 287 HA3 GLY 44 2HA GLY 44 8.145 21.056 0.647 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -6.481 8.073 -23.344 2 HA2 GLY 1 1HA GLY 1 -7.372 7.252 -26.040 3 HA3 GLY 1 2HA GLY 1 -5.685 7.450 -25.590 4 H SER 2 H SER 2 -8.280 5.860 -23.778 5 HA SER 2 HA SER 2 -7.406 3.219 -24.440 6 HB2 SER 2 1HB SER 2 -6.594 4.430 -21.801 7 HB3 SER 2 2HB SER 2 -6.771 2.688 -22.009 8 HG SER 2 HG SER 2 -4.758 2.868 -22.637 9 H SER 3 H SER 3 -8.695 1.571 -23.432 10 HA SER 3 HA SER 3 -11.376 2.477 -22.904 11 HB2 SER 3 1HB SER 3 -10.217 -0.321 -22.909 12 HB3 SER 3 2HB SER 3 -11.934 0.074 -22.843 13 HG SER 3 HG SER 3 -11.749 -0.048 -24.943 14 H GLY 4 H GLY 4 -9.190 0.287 -21.116 15 HA2 GLY 4 1HA GLY 4 -8.799 1.107 -18.733 16 HA3 GLY 4 2HA GLY 4 -10.554 1.129 -18.640 17 H SER 5 H SER 5 -7.966 -1.120 -19.627 18 HA SER 5 HA SER 5 -9.519 -3.306 -18.429 19 HB2 SER 5 1HB SER 5 -7.127 -3.498 -20.273 20 HB3 SER 5 2HB SER 5 -8.187 -4.817 -19.776 21 HG SER 5 HG SER 5 -8.501 -3.029 -21.780 22 H SER 6 H SER 6 -8.253 -1.595 -16.652 23 HA SER 6 HA SER 6 -6.575 -3.453 -15.240 24 HB2 SER 6 1HB SER 6 -4.883 -2.455 -16.678 25 HB3 SER 6 2HB SER 6 -5.403 -0.835 -16.213 26 HG SER 6 HG SER 6 -3.626 -2.390 -15.010 27 H GLY 7 H GLY 7 -6.280 -2.897 -13.043 28 HA2 GLY 7 1HA GLY 7 -6.479 -1.064 -11.358 29 HA3 GLY 7 2HA GLY 7 -7.992 -0.657 -12.154 30 H THR 8 H THR 8 -6.590 -3.758 -11.107 31 HA THR 8 HA THR 8 -9.145 -4.421 -9.852 32 HB THR 8 HB THR 8 -8.147 -6.711 -9.613 33 HG1 THR 8 HG1 THR 8 -5.906 -5.600 -9.952 34 HG21 THR 8 3HG2 THR 8 -9.541 -5.918 -11.583 35 HG22 THR 8 1HG2 THR 8 -8.520 -7.327 -11.869 36 HG23 THR 8 2HG2 THR 8 -8.023 -5.743 -12.462 37 H GLY 9 H GLY 9 -9.049 -3.180 -7.964 38 HA2 GLY 9 1HA GLY 9 -6.939 -3.979 -6.055 39 HA3 GLY 9 2HA GLY 9 -7.711 -2.400 -6.055 40 H GLU 10 H GLU 10 -8.381 -5.857 -5.618 41 HA GLU 10 HA GLU 10 -10.707 -5.158 -3.974 42 HB2 GLU 10 1HB GLU 10 -10.660 -6.936 -5.922 43 HB3 GLU 10 2HB GLU 10 -9.999 -7.977 -4.669 44 HG2 GLU 10 1HG GLU 10 -12.278 -8.400 -4.607 45 HG3 GLU 10 2HG GLU 10 -12.021 -7.276 -3.274 46 H LYS 11 H LYS 11 -8.273 -4.585 -2.819 47 HA LYS 11 HA LYS 11 -7.857 -6.762 -0.884 48 HB2 LYS 11 1HB LYS 11 -6.099 -4.517 -1.835 49 HB3 LYS 11 2HB LYS 11 -5.777 -5.330 -0.309 50 HG2 LYS 11 1HG LYS 11 -4.417 -6.363 -1.942 51 HG3 LYS 11 2HG LYS 11 -5.726 -7.491 -1.582 52 HD2 LYS 11 1HD LYS 11 -6.928 -6.643 -3.588 53 HD3 LYS 11 2HD LYS 11 -5.515 -5.657 -3.969 54 HE2 LYS 11 1HE LYS 11 -5.509 -8.662 -3.698 55 HE3 LYS 11 2HE LYS 11 -5.587 -7.787 -5.227 56 HZ1 LYS 11 3HZ LYS 11 -3.357 -8.171 -5.057 57 HZ2 LYS 11 1HZ LYS 11 -3.339 -8.081 -3.368 58 HZ3 LYS 11 2HZ LYS 11 -3.442 -6.666 -4.288 59 HA PRO 12 HA PRO 12 -9.817 -4.391 2.264 60 HB2 PRO 12 1HB PRO 12 -8.649 -5.514 4.442 61 HB3 PRO 12 2HB PRO 12 -9.883 -6.338 3.482 62 HG2 PRO 12 1HG PRO 12 -6.906 -6.642 3.402 63 HG3 PRO 12 2HG PRO 12 -8.160 -7.894 3.348 64 HD2 PRO 12 1HD PRO 12 -6.882 -7.016 1.129 65 HD3 PRO 12 2HD PRO 12 -8.570 -7.564 1.105 66 H TYR 13 H TYR 13 -6.536 -4.190 1.530 67 HA TYR 13 HA TYR 13 -6.178 -1.961 3.425 68 HB2 TYR 13 1HB TYR 13 -3.940 -3.596 2.232 69 HB3 TYR 13 2HB TYR 13 -3.846 -2.445 3.560 70 HD1 TYR 13 HD2 TYR 13 -5.126 -3.030 5.713 71 HD2 TYR 13 HD1 TYR 13 -4.263 -5.868 2.662 72 HE1 TYR 13 HE2 TYR 13 -5.464 -4.857 7.325 73 HE2 TYR 13 HE1 TYR 13 -4.599 -7.703 4.265 74 HH TYR 13 HH TYR 13 -5.665 -8.154 6.350 75 H GLU 14 H GLU 14 -6.143 -0.045 2.476 76 HA GLU 14 HA GLU 14 -4.957 0.189 -0.206 77 HB2 GLU 14 1HB GLU 14 -7.646 1.075 0.732 78 HB3 GLU 14 2HB GLU 14 -6.791 2.097 -0.415 79 HG2 GLU 14 1HG GLU 14 -7.940 0.800 -1.871 80 HG3 GLU 14 2HG GLU 14 -6.497 -0.196 -1.692 81 H CYS 15 H CYS 15 -3.280 1.514 -0.134 82 HA CYS 15 HA CYS 15 -2.520 3.073 2.026 83 HB2 CYS 15 1HB CYS 15 -1.259 2.339 -0.186 84 HB3 CYS 15 2HB CYS 15 -1.736 3.948 -0.720 85 H ASN 16 H ASN 16 -2.003 5.576 1.558 86 HA ASN 16 HA ASN 16 -4.589 6.821 0.888 87 HB2 ASN 16 1HB ASN 16 -4.402 7.177 3.181 88 HB3 ASN 16 2HB ASN 16 -2.651 7.356 3.112 89 HD21 ASN 16 1HD2 ASN 16 -5.415 8.978 3.626 90 HD22 ASN 16 2HD2 ASN 16 -4.927 10.570 3.165 91 H GLU 17 H GLU 17 -1.118 7.592 1.188 92 HA GLU 17 HA GLU 17 -1.169 9.901 -0.392 93 HB2 GLU 17 1HB GLU 17 0.698 8.990 1.141 94 HB3 GLU 17 2HB GLU 17 1.206 8.061 -0.263 95 HG2 GLU 17 1HG GLU 17 2.521 10.014 -0.236 96 HG3 GLU 17 2HG GLU 17 1.335 10.229 -1.522 97 H CYS 18 H CYS 18 -0.085 6.627 -1.309 98 HA CYS 18 HA CYS 18 -0.227 7.359 -4.123 99 HB2 CYS 18 1HB CYS 18 0.902 5.302 -4.569 100 HB3 CYS 18 2HB CYS 18 1.680 6.017 -3.160 101 H GLN 19 H GLN 19 -2.060 5.653 -1.748 102 HA GLN 19 HA GLN 19 -4.095 4.639 -1.808 103 HB2 GLN 19 1HB GLN 19 -4.111 6.308 -4.269 104 HB3 GLN 19 2HB GLN 19 -5.351 5.069 -4.127 105 HG2 GLN 19 1HG GLN 19 -4.876 6.964 -1.872 106 HG3 GLN 19 2HG GLN 19 -5.813 7.473 -3.275 107 HE21 GLN 19 1HE2 GLN 19 -6.215 6.520 -0.282 108 HE22 GLN 19 2HE2 GLN 19 -7.670 5.596 -0.403 109 H LYS 20 H LYS 20 -1.936 3.043 -2.382 110 HA LYS 20 HA LYS 20 -2.611 1.433 -4.713 111 HB2 LYS 20 1HB LYS 20 -0.311 1.557 -2.811 112 HB3 LYS 20 2HB LYS 20 -0.596 0.060 -3.688 113 HG2 LYS 20 1HG LYS 20 -0.539 1.382 -5.806 114 HG3 LYS 20 2HG LYS 20 -0.040 2.779 -4.848 115 HD2 LYS 20 1HD LYS 20 2.006 1.968 -5.489 116 HD3 LYS 20 2HD LYS 20 1.789 1.104 -3.965 117 HE2 LYS 20 1HE LYS 20 0.891 -0.074 -6.574 118 HE3 LYS 20 2HE LYS 20 2.560 -0.227 -6.026 119 HZ1 LYS 20 3HZ LYS 20 0.116 -1.384 -4.874 120 HZ2 LYS 20 1HZ LYS 20 1.437 -1.073 -3.864 121 HZ3 LYS 20 2HZ LYS 20 1.608 -2.119 -5.182 122 H ALA 21 H ALA 21 -2.114 -1.089 -4.070 123 HA ALA 21 HA ALA 21 -3.882 -1.725 -1.802 124 HB1 ALA 21 3HB ALA 21 -4.540 -3.741 -3.359 125 HB2 ALA 21 1HB ALA 21 -5.348 -2.179 -3.498 126 HB3 ALA 21 2HB ALA 21 -4.072 -2.617 -4.635 127 H PHE 22 H PHE 22 -3.259 -3.390 -0.521 128 HA PHE 22 HA PHE 22 -0.903 -4.943 -1.362 129 HB2 PHE 22 1HB PHE 22 -1.444 -3.646 1.308 130 HB3 PHE 22 2HB PHE 22 -0.248 -4.919 1.096 131 HD1 PHE 22 HD2 PHE 22 -1.208 -1.611 -0.325 132 HD2 PHE 22 HD1 PHE 22 1.924 -4.334 0.618 133 HE1 PHE 22 HE2 PHE 22 0.454 0.071 -1.003 134 HE2 PHE 22 HE1 PHE 22 3.592 -2.656 -0.059 135 HZ PHE 22 HZ PHE 22 2.857 -0.450 -0.872 136 H ASN 23 H ASN 23 -0.627 -6.973 -0.073 137 HA ASN 23 HA ASN 23 -3.168 -8.353 0.042 138 HB2 ASN 23 1HB ASN 23 -1.675 -10.357 0.521 139 HB3 ASN 23 2HB ASN 23 -1.436 -9.568 -1.036 140 HD21 ASN 23 1HD2 ASN 23 0.355 -8.078 -1.223 141 HD22 ASN 23 2HD2 ASN 23 1.777 -8.341 -0.278 142 H THR 24 H THR 24 -0.479 -7.673 2.261 143 HA THR 24 HA THR 24 -2.286 -8.302 4.505 144 HB THR 24 HB THR 24 -0.261 -8.800 5.845 145 HG1 THR 24 HG1 THR 24 1.699 -8.609 4.994 146 HG21 THR 24 3HG2 THR 24 -1.393 -10.677 4.904 147 HG22 THR 24 1HG2 THR 24 0.333 -10.937 4.653 148 HG23 THR 24 2HG2 THR 24 -0.680 -10.390 3.317 149 H LYS 25 H LYS 25 -2.033 -7.029 6.435 150 HA LYS 25 HA LYS 25 -1.826 -4.258 5.919 151 HB2 LYS 25 1HB LYS 25 -3.279 -5.155 7.671 152 HB3 LYS 25 2HB LYS 25 -1.875 -5.740 8.555 153 HG2 LYS 25 1HG LYS 25 -1.138 -3.260 8.547 154 HG3 LYS 25 2HG LYS 25 -2.832 -2.936 8.172 155 HD2 LYS 25 1HD LYS 25 -2.225 -4.775 10.428 156 HD3 LYS 25 2HD LYS 25 -1.947 -3.048 10.668 157 HE2 LYS 25 1HE LYS 25 -4.140 -3.337 11.379 158 HE3 LYS 25 2HE LYS 25 -4.329 -2.761 9.724 159 HZ1 LYS 25 3HZ LYS 25 -5.526 -4.564 9.326 160 HZ2 LYS 25 1HZ LYS 25 -5.209 -5.191 10.865 161 HZ3 LYS 25 2HZ LYS 25 -4.155 -5.521 9.584 162 H SER 26 H SER 26 0.255 -6.455 7.799 163 HA SER 26 HA SER 26 2.176 -4.817 8.740 164 HB2 SER 26 1HB SER 26 3.826 -6.677 8.302 165 HB3 SER 26 2HB SER 26 2.347 -7.180 9.120 166 HG SER 26 HG SER 26 3.115 -7.589 6.436 167 H ASN 27 H ASN 27 2.148 -6.125 5.428 168 HA ASN 27 HA ASN 27 4.451 -4.868 4.500 169 HB2 ASN 27 1HB ASN 27 2.807 -6.624 3.393 170 HB3 ASN 27 2HB ASN 27 2.120 -5.179 2.657 171 HD21 ASN 27 1HD2 ASN 27 5.039 -7.086 3.019 172 HD22 ASN 27 2HD2 ASN 27 5.810 -6.523 1.578 173 H LEU 28 H LEU 28 1.087 -3.735 4.446 174 HA LEU 28 HA LEU 28 1.540 -1.326 3.088 175 HB2 LEU 28 1HB LEU 28 -0.683 -2.110 3.310 176 HB3 LEU 28 2HB LEU 28 -0.560 -2.166 5.067 177 HG LEU 28 HG LEU 28 -0.408 0.339 5.042 178 HD11 LEU 28 1HD1 LEU 28 -0.197 -0.100 2.254 179 HD12 LEU 28 2HD1 LEU 28 -0.179 1.431 3.129 180 HD13 LEU 28 3HD1 LEU 28 -1.705 0.765 2.549 181 HD21 LEU 28 3HD2 LEU 28 -2.673 0.542 5.199 182 HD22 LEU 28 1HD2 LEU 28 -2.541 -1.217 5.231 183 HD23 LEU 28 2HD2 LEU 28 -2.972 -0.392 3.732 184 H MET 29 H MET 29 1.304 -1.949 6.589 185 HA MET 29 HA MET 29 1.657 0.532 7.625 186 HB2 MET 29 1HB MET 29 2.942 -2.042 8.550 187 HB3 MET 29 2HB MET 29 2.909 -0.564 9.503 188 HG2 MET 29 1HG MET 29 0.319 -0.743 9.057 189 HG3 MET 29 2HG MET 29 0.714 -2.447 8.839 190 HE1 MET 29 3HE MET 29 -0.831 -0.821 12.234 191 HE2 MET 29 1HE MET 29 0.518 0.314 12.162 192 HE3 MET 29 2HE MET 29 -0.485 0.045 10.737 193 H VAL 30 H VAL 30 4.346 -1.646 6.751 194 HA VAL 30 HA VAL 30 6.391 0.232 7.209 195 HB VAL 30 HB VAL 30 6.400 -2.153 5.354 196 HG11 VAL 30 1HG1 VAL 30 8.549 -1.763 4.882 197 HG12 VAL 30 2HG1 VAL 30 8.251 -0.124 5.464 198 HG13 VAL 30 3HG1 VAL 30 8.928 -1.338 6.550 199 HG21 VAL 30 3HG2 VAL 30 6.066 -2.171 8.058 200 HG22 VAL 30 1HG2 VAL 30 6.783 -3.482 7.121 201 HG23 VAL 30 2HG2 VAL 30 7.820 -2.296 7.915 202 H HIS 31 H HIS 31 4.465 -0.516 4.360 203 HA HIS 31 HA HIS 31 5.979 1.034 2.528 204 HB2 HIS 31 1HB HIS 31 4.549 -0.626 1.611 205 HB3 HIS 31 2HB HIS 31 3.150 -0.011 2.486 206 HD1 HIS 31 HD1 HIS 31 5.472 1.030 -0.328 207 HD2 HIS 31 HD2 HIS 31 1.631 1.756 1.080 208 HE1 HIS 31 HE1 HIS 31 4.378 2.475 -2.072 209 H GLN 32 H GLN 32 3.471 1.783 4.820 210 HA GLN 32 HA GLN 32 2.730 4.301 3.720 211 HB2 GLN 32 1HB GLN 32 2.407 3.124 6.481 212 HB3 GLN 32 2HB GLN 32 1.759 4.691 6.017 213 HG2 GLN 32 1HG GLN 32 0.429 3.593 4.261 214 HG3 GLN 32 2HG GLN 32 1.038 2.032 4.808 215 HE21 GLN 32 1HE2 GLN 32 -1.693 2.927 4.694 216 HE22 GLN 32 2HE2 GLN 32 -2.308 2.866 6.308 217 H ARG 33 H ARG 33 4.895 3.348 6.374 218 HA ARG 33 HA ARG 33 5.693 5.970 7.053 219 HB2 ARG 33 1HB ARG 33 7.603 4.834 8.195 220 HB3 ARG 33 2HB ARG 33 6.025 4.192 8.630 221 HG2 ARG 33 1HG ARG 33 6.396 2.357 6.987 222 HG3 ARG 33 2HG ARG 33 8.038 2.964 6.764 223 HD2 ARG 33 1HD ARG 33 8.135 2.778 9.373 224 HD3 ARG 33 2HD ARG 33 6.802 1.647 9.140 225 HE ARG 33 HE ARG 33 8.614 0.717 7.406 226 HH11 ARG 33 1HH1 ARG 33 8.885 1.667 10.744 227 HH12 ARG 33 2HH1 ARG 33 10.166 0.553 11.093 228 HH21 ARG 33 1HH2 ARG 33 10.299 -0.754 7.853 229 HH22 ARG 33 2HH2 ARG 33 10.970 -0.823 9.447 230 H THR 34 H THR 34 7.218 3.488 5.014 231 HA THR 34 HA THR 34 9.570 4.673 4.334 232 HB THR 34 HB THR 34 9.267 3.632 2.030 233 HG1 THR 34 HG1 THR 34 6.750 3.106 3.202 234 HG21 THR 34 3HG2 THR 34 9.249 1.298 2.957 235 HG22 THR 34 1HG2 THR 34 8.873 1.993 4.532 236 HG23 THR 34 2HG2 THR 34 10.395 2.389 3.734 237 H HIS 35 H HIS 35 6.419 5.304 2.813 238 HA HIS 35 HA HIS 35 6.948 6.943 0.773 239 HB2 HIS 35 1HB HIS 35 4.847 7.032 2.877 240 HB3 HIS 35 2HB HIS 35 4.983 8.429 1.813 241 HD1 HIS 35 HD1 HIS 35 4.989 7.690 -0.871 242 HD2 HIS 35 HD2 HIS 35 3.248 5.102 1.874 243 HE1 HIS 35 HE1 HIS 35 3.485 6.192 -2.220 244 H THR 36 H THR 36 6.907 8.060 4.154 245 HA THR 36 HA THR 36 8.733 10.228 3.365 246 HB THR 36 HB THR 36 6.530 11.230 3.640 247 HG1 THR 36 HG1 THR 36 8.644 12.090 4.699 248 HG21 THR 36 3HG2 THR 36 5.068 10.496 5.151 249 HG22 THR 36 1HG2 THR 36 6.162 10.941 6.461 250 HG23 THR 36 2HG2 THR 36 6.269 9.340 5.727 251 H GLY 37 H GLY 37 10.596 9.952 4.396 252 HA2 GLY 37 1HA GLY 37 10.522 9.199 7.240 253 HA3 GLY 37 2HA GLY 37 11.566 8.315 6.137 254 H GLU 38 H GLU 38 13.364 9.387 5.198 255 HA GLU 38 HA GLU 38 14.639 11.212 6.968 256 HB2 GLU 38 1HB GLU 38 15.685 9.425 5.401 257 HB3 GLU 38 2HB GLU 38 15.583 10.675 4.169 258 HG2 GLU 38 1HG GLU 38 17.107 12.051 5.259 259 HG3 GLU 38 2HG GLU 38 16.910 11.210 6.796 260 H SER 39 H SER 39 15.661 13.265 6.178 261 HA SER 39 HA SER 39 13.597 14.917 4.981 262 HB2 SER 39 1HB SER 39 16.196 15.507 6.386 263 HB3 SER 39 2HB SER 39 15.302 16.769 5.538 264 HG SER 39 HG SER 39 13.631 16.538 6.938 265 H GLY 40 H GLY 40 13.561 15.524 2.920 266 HA2 GLY 40 1HA GLY 40 15.848 16.229 1.418 267 HA3 GLY 40 2HA GLY 40 15.361 14.593 1.001 268 HA PRO 41 HA PRO 41 12.607 16.315 -1.956 269 HB2 PRO 41 1HB PRO 41 10.896 14.224 -2.233 270 HB3 PRO 41 2HB PRO 41 12.536 14.218 -2.893 271 HG2 PRO 41 1HG PRO 41 11.506 12.981 -0.369 272 HG3 PRO 41 2HG PRO 41 12.625 12.308 -1.569 273 HD2 PRO 41 1HD PRO 41 13.468 13.379 0.771 274 HD3 PRO 41 2HD PRO 41 14.429 13.465 -0.720 275 H SER 42 H SER 42 11.208 17.877 -1.457 276 HA SER 42 HA SER 42 9.300 17.505 0.712 277 HB2 SER 42 1HB SER 42 10.766 19.638 0.178 278 HB3 SER 42 2HB SER 42 9.431 20.014 -0.912 279 HG SER 42 HG SER 42 9.060 19.360 1.819 280 H SER 43 H SER 43 7.047 18.354 0.364 281 HA SER 43 HA SER 43 6.064 17.778 -2.346 282 HB2 SER 43 1HB SER 43 4.106 16.603 -1.283 283 HB3 SER 43 2HB SER 43 5.644 15.758 -1.114 284 HG SER 43 HG SER 43 4.232 17.250 0.828 285 H GLY 44 H GLY 44 5.730 19.963 -2.754 286 HA2 GLY 44 1HA GLY 44 3.587 21.298 -2.786 287 HA3 GLY 44 2HA GLY 44 3.726 21.286 -1.035 Start of MODEL 12 1 H1 GLY 1 H GLY 1 12.580 0.359 -14.378 2 HA2 GLY 1 1HA GLY 1 11.479 0.117 -11.676 3 HA3 GLY 1 2HA GLY 1 10.854 1.404 -12.696 4 H SER 2 H SER 2 8.772 0.584 -12.770 5 HA SER 2 HA SER 2 8.336 -1.450 -14.754 6 HB2 SER 2 1HB SER 2 6.923 -2.882 -13.268 7 HB3 SER 2 2HB SER 2 8.636 -2.914 -12.850 8 HG SER 2 HG SER 2 6.514 -2.095 -11.372 9 H SER 3 H SER 3 6.547 -0.990 -15.868 10 HA SER 3 HA SER 3 4.990 1.295 -15.202 11 HB2 SER 3 1HB SER 3 4.922 -0.749 -17.393 12 HB3 SER 3 2HB SER 3 3.558 0.350 -17.190 13 HG SER 3 HG SER 3 4.713 1.849 -18.080 14 H GLY 4 H GLY 4 3.510 1.314 -13.646 15 HA2 GLY 4 1HA GLY 4 2.205 -1.098 -12.761 16 HA3 GLY 4 2HA GLY 4 1.955 0.521 -12.123 17 H SER 5 H SER 5 0.664 -1.957 -14.009 18 HA SER 5 HA SER 5 -1.266 -0.165 -15.305 19 HB2 SER 5 1HB SER 5 -0.627 -3.085 -15.781 20 HB3 SER 5 2HB SER 5 -1.911 -2.205 -16.611 21 HG SER 5 HG SER 5 -0.395 -1.662 -17.954 22 H SER 6 H SER 6 -3.548 -0.947 -15.374 23 HA SER 6 HA SER 6 -4.663 -1.098 -12.858 24 HB2 SER 6 1HB SER 6 -5.881 -0.512 -14.962 25 HB3 SER 6 2HB SER 6 -5.903 -2.225 -15.379 26 HG SER 6 HG SER 6 -6.864 -2.288 -13.053 27 H GLY 7 H GLY 7 -4.388 -2.613 -11.362 28 HA2 GLY 7 1HA GLY 7 -5.015 -5.370 -11.973 29 HA3 GLY 7 2HA GLY 7 -3.335 -5.093 -11.538 30 H THR 8 H THR 8 -6.491 -3.948 -10.332 31 HA THR 8 HA THR 8 -5.529 -4.433 -7.601 32 HB THR 8 HB THR 8 -7.493 -3.044 -6.905 33 HG1 THR 8 HG1 THR 8 -8.780 -3.320 -8.773 34 HG21 THR 8 3HG2 THR 8 -5.064 -2.228 -7.609 35 HG22 THR 8 1HG2 THR 8 -6.327 -1.091 -7.141 36 HG23 THR 8 2HG2 THR 8 -5.984 -1.374 -8.848 37 H GLY 9 H GLY 9 -6.771 -5.587 -6.097 38 HA2 GLY 9 1HA GLY 9 -8.954 -7.203 -7.261 39 HA3 GLY 9 2HA GLY 9 -7.710 -7.921 -6.248 40 H GLU 10 H GLU 10 -9.689 -4.969 -5.968 41 HA GLU 10 HA GLU 10 -10.695 -4.080 -4.099 42 HB2 GLU 10 1HB GLU 10 -12.219 -5.946 -5.201 43 HB3 GLU 10 2HB GLU 10 -11.959 -6.747 -3.658 44 HG2 GLU 10 1HG GLU 10 -13.974 -5.549 -3.458 45 HG3 GLU 10 2HG GLU 10 -12.766 -4.643 -2.549 46 H LYS 11 H LYS 11 -8.146 -4.970 -3.431 47 HA LYS 11 HA LYS 11 -7.970 -6.731 -1.278 48 HB2 LYS 11 1HB LYS 11 -6.312 -4.475 -2.295 49 HB3 LYS 11 2HB LYS 11 -5.970 -5.075 -0.677 50 HG2 LYS 11 1HG LYS 11 -4.560 -6.391 -1.874 51 HG3 LYS 11 2HG LYS 11 -6.003 -7.406 -1.915 52 HD2 LYS 11 1HD LYS 11 -6.586 -6.343 -4.105 53 HD3 LYS 11 2HD LYS 11 -5.014 -5.541 -4.069 54 HE2 LYS 11 1HE LYS 11 -3.930 -7.759 -3.941 55 HE3 LYS 11 2HE LYS 11 -5.516 -8.516 -4.077 56 HZ1 LYS 11 3HZ LYS 11 -5.271 -6.691 -6.169 57 HZ2 LYS 11 1HZ LYS 11 -5.330 -8.379 -6.264 58 HZ3 LYS 11 2HZ LYS 11 -3.839 -7.591 -6.131 59 HA PRO 12 HA PRO 12 -9.911 -4.631 2.066 60 HB2 PRO 12 1HB PRO 12 -8.608 -5.804 4.140 61 HB3 PRO 12 2HB PRO 12 -9.834 -6.640 3.179 62 HG2 PRO 12 1HG PRO 12 -6.850 -6.784 2.983 63 HG3 PRO 12 2HG PRO 12 -8.042 -8.095 2.905 64 HD2 PRO 12 1HD PRO 12 -6.891 -7.038 0.693 65 HD3 PRO 12 2HD PRO 12 -8.550 -7.671 0.697 66 H TYR 13 H TYR 13 -6.606 -4.316 1.327 67 HA TYR 13 HA TYR 13 -6.371 -2.056 3.203 68 HB2 TYR 13 1HB TYR 13 -4.047 -3.704 2.208 69 HB3 TYR 13 2HB TYR 13 -4.045 -2.506 3.497 70 HD1 TYR 13 HD2 TYR 13 -5.194 -3.026 5.655 71 HD2 TYR 13 HD1 TYR 13 -4.633 -5.965 2.630 72 HE1 TYR 13 HE2 TYR 13 -5.613 -4.798 7.308 73 HE2 TYR 13 HE1 TYR 13 -5.052 -7.746 4.275 74 HH TYR 13 HH TYR 13 -5.052 -7.222 7.591 75 H GLU 14 H GLU 14 -5.669 -0.138 2.399 76 HA GLU 14 HA GLU 14 -4.449 0.039 -0.213 77 HB2 GLU 14 1HB GLU 14 -7.288 0.815 0.286 78 HB3 GLU 14 2HB GLU 14 -6.323 1.816 -0.790 79 HG2 GLU 14 1HG GLU 14 -5.806 -0.216 -2.120 80 HG3 GLU 14 2HG GLU 14 -6.924 -1.115 -1.096 81 H CYS 15 H CYS 15 -2.923 1.531 -0.058 82 HA CYS 15 HA CYS 15 -2.492 3.165 2.134 83 HB2 CYS 15 1HB CYS 15 -0.985 2.526 0.049 84 HB3 CYS 15 2HB CYS 15 -1.541 4.088 -0.542 85 H ASN 16 H ASN 16 -2.137 5.702 1.662 86 HA ASN 16 HA ASN 16 -4.757 6.719 0.776 87 HB2 ASN 16 1HB ASN 16 -2.973 7.937 2.893 88 HB3 ASN 16 2HB ASN 16 -4.606 8.440 2.466 89 HD21 ASN 16 1HD2 ASN 16 -3.989 7.878 5.048 90 HD22 ASN 16 2HD2 ASN 16 -4.766 6.414 5.538 91 H GLU 17 H GLU 17 -1.324 7.570 1.138 92 HA GLU 17 HA GLU 17 -1.468 9.910 -0.455 93 HB2 GLU 17 1HB GLU 17 0.362 9.078 1.240 94 HB3 GLU 17 2HB GLU 17 1.061 8.335 -0.191 95 HG2 GLU 17 1HG GLU 17 2.108 10.440 0.111 96 HG3 GLU 17 2HG GLU 17 1.035 10.576 -1.280 97 H CYS 18 H CYS 18 -0.128 6.682 -1.165 98 HA CYS 18 HA CYS 18 -0.107 7.317 -4.011 99 HB2 CYS 18 1HB CYS 18 1.205 5.336 -4.300 100 HB3 CYS 18 2HB CYS 18 1.837 6.180 -2.890 101 H GLN 19 H GLN 19 -1.972 5.574 -1.699 102 HA GLN 19 HA GLN 19 -3.880 4.347 -1.848 103 HB2 GLN 19 1HB GLN 19 -4.163 5.323 -4.682 104 HB3 GLN 19 2HB GLN 19 -5.434 4.895 -3.544 105 HG2 GLN 19 1HG GLN 19 -4.358 6.886 -2.169 106 HG3 GLN 19 2HG GLN 19 -3.857 7.391 -3.782 107 HE21 GLN 19 1HE2 GLN 19 -6.435 7.131 -1.559 108 HE22 GLN 19 2HE2 GLN 19 -7.668 7.815 -2.556 109 H LYS 20 H LYS 20 -1.731 2.822 -2.154 110 HA LYS 20 HA LYS 20 -2.257 1.115 -4.493 111 HB2 LYS 20 1HB LYS 20 0.198 1.629 -2.850 112 HB3 LYS 20 2HB LYS 20 0.038 0.115 -3.732 113 HG2 LYS 20 1HG LYS 20 -0.378 1.509 -5.797 114 HG3 LYS 20 2HG LYS 20 0.132 2.904 -4.843 115 HD2 LYS 20 1HD LYS 20 2.255 1.626 -4.342 116 HD3 LYS 20 2HD LYS 20 1.744 0.465 -5.570 117 HE2 LYS 20 1HE LYS 20 1.731 2.203 -7.254 118 HE3 LYS 20 2HE LYS 20 2.121 3.421 -6.040 119 HZ1 LYS 20 3HZ LYS 20 3.855 1.176 -6.918 120 HZ2 LYS 20 1HZ LYS 20 4.224 2.227 -5.644 121 HZ3 LYS 20 2HZ LYS 20 4.098 2.823 -7.222 122 H ALA 21 H ALA 21 -3.163 -0.811 -4.192 123 HA ALA 21 HA ALA 21 -3.903 -1.687 -1.574 124 HB1 ALA 21 3HB ALA 21 -4.379 -2.612 -4.349 125 HB2 ALA 21 1HB ALA 21 -4.566 -3.794 -3.054 126 HB3 ALA 21 2HB ALA 21 -5.523 -2.312 -3.040 127 H PHE 22 H PHE 22 -3.129 -3.370 -0.368 128 HA PHE 22 HA PHE 22 -0.687 -4.687 -1.362 129 HB2 PHE 22 1HB PHE 22 -1.314 -3.625 1.391 130 HB3 PHE 22 2HB PHE 22 -0.019 -4.781 1.098 131 HD1 PHE 22 HD2 PHE 22 -1.212 -1.372 0.345 132 HD2 PHE 22 HD1 PHE 22 2.054 -4.098 0.203 133 HE1 PHE 22 HE2 PHE 22 0.304 0.480 -0.225 134 HE2 PHE 22 HE1 PHE 22 3.576 -2.250 -0.366 135 HZ PHE 22 HZ PHE 22 2.702 0.042 -0.582 136 H ASN 23 H ASN 23 -0.193 -6.708 0.030 137 HA ASN 23 HA ASN 23 -2.455 -8.454 -0.222 138 HB2 ASN 23 1HB ASN 23 -0.829 -10.189 0.634 139 HB3 ASN 23 2HB ASN 23 -0.327 -9.353 -0.833 140 HD21 ASN 23 1HD2 ASN 23 0.726 -10.462 2.040 141 HD22 ASN 23 2HD2 ASN 23 2.075 -9.413 2.294 142 H THR 24 H THR 24 -0.391 -7.456 2.505 143 HA THR 24 HA THR 24 -2.656 -8.012 4.302 144 HB THR 24 HB THR 24 -1.077 -8.768 6.035 145 HG1 THR 24 HG1 THR 24 0.941 -8.229 5.694 146 HG21 THR 24 3HG2 THR 24 -1.726 -10.167 3.604 147 HG22 THR 24 1HG2 THR 24 -1.637 -10.781 5.254 148 HG23 THR 24 2HG2 THR 24 -0.188 -10.739 4.249 149 H LYS 25 H LYS 25 -2.216 -6.970 6.530 150 HA LYS 25 HA LYS 25 -1.929 -4.171 6.116 151 HB2 LYS 25 1HB LYS 25 -3.433 -5.236 7.816 152 HB3 LYS 25 2HB LYS 25 -2.002 -5.651 8.749 153 HG2 LYS 25 1HG LYS 25 -2.659 -3.716 9.779 154 HG3 LYS 25 2HG LYS 25 -1.511 -3.091 8.592 155 HD2 LYS 25 1HD LYS 25 -3.196 -2.263 7.216 156 HD3 LYS 25 2HD LYS 25 -4.425 -3.310 7.929 157 HE2 LYS 25 1HE LYS 25 -3.054 -1.114 9.461 158 HE3 LYS 25 2HE LYS 25 -4.541 -0.860 8.550 159 HZ1 LYS 25 3HZ LYS 25 -5.025 -3.082 10.074 160 HZ2 LYS 25 1HZ LYS 25 -5.600 -1.518 10.370 161 HZ3 LYS 25 2HZ LYS 25 -4.177 -2.051 11.113 162 H SER 26 H SER 26 -0.028 -6.480 8.061 163 HA SER 26 HA SER 26 1.950 -4.947 9.045 164 HB2 SER 26 1HB SER 26 2.061 -7.265 9.502 165 HB3 SER 26 2HB SER 26 2.127 -7.683 7.790 166 HG SER 26 HG SER 26 4.145 -7.006 9.501 167 H ASN 27 H ASN 27 1.927 -6.255 5.735 168 HA ASN 27 HA ASN 27 4.339 -5.104 4.896 169 HB2 ASN 27 1HB ASN 27 1.891 -6.071 3.447 170 HB3 ASN 27 2HB ASN 27 3.199 -5.292 2.563 171 HD21 ASN 27 1HD2 ASN 27 2.682 -7.824 4.991 172 HD22 ASN 27 2HD2 ASN 27 3.859 -8.915 4.351 173 H LEU 28 H LEU 28 1.001 -3.922 4.584 174 HA LEU 28 HA LEU 28 1.553 -1.568 3.195 175 HB2 LEU 28 1HB LEU 28 -0.692 -2.234 3.341 176 HB3 LEU 28 2HB LEU 28 -0.631 -2.347 5.099 177 HG LEU 28 HG LEU 28 -0.448 0.138 5.185 178 HD11 LEU 28 1HD1 LEU 28 -0.449 -0.245 2.263 179 HD12 LEU 28 2HD1 LEU 28 0.276 1.028 3.245 180 HD13 LEU 28 3HD1 LEU 28 -1.448 1.074 2.874 181 HD21 LEU 28 3HD2 LEU 28 -2.630 -0.001 5.553 182 HD22 LEU 28 1HD2 LEU 28 -2.711 -1.486 4.605 183 HD23 LEU 28 2HD2 LEU 28 -2.924 0.076 3.815 184 H MET 29 H MET 29 1.203 -2.057 6.708 185 HA MET 29 HA MET 29 1.617 0.487 7.618 186 HB2 MET 29 1HB MET 29 2.684 -2.086 8.792 187 HB3 MET 29 2HB MET 29 2.624 -0.551 9.649 188 HG2 MET 29 1HG MET 29 0.187 -0.529 9.427 189 HG3 MET 29 2HG MET 29 0.258 -2.079 8.591 190 HE1 MET 29 3HE MET 29 -1.305 -2.648 12.201 191 HE2 MET 29 1HE MET 29 -1.016 -0.938 11.879 192 HE3 MET 29 2HE MET 29 -1.660 -1.978 10.608 193 H VAL 30 H VAL 30 4.184 -1.919 7.029 194 HA VAL 30 HA VAL 30 6.349 -0.230 7.561 195 HB VAL 30 HB VAL 30 6.244 -2.585 5.670 196 HG11 VAL 30 1HG1 VAL 30 8.274 -0.717 5.993 197 HG12 VAL 30 2HG1 VAL 30 8.774 -2.089 6.984 198 HG13 VAL 30 3HG1 VAL 30 8.418 -2.319 5.271 199 HG21 VAL 30 3HG2 VAL 30 6.398 -2.331 8.605 200 HG22 VAL 30 1HG2 VAL 30 5.771 -3.644 7.608 201 HG23 VAL 30 2HG2 VAL 30 7.508 -3.488 7.870 202 H HIS 31 H HIS 31 4.475 -0.737 4.634 203 HA HIS 31 HA HIS 31 6.191 0.596 2.839 204 HB2 HIS 31 1HB HIS 31 4.581 -0.663 1.753 205 HB3 HIS 31 2HB HIS 31 3.294 -0.145 2.837 206 HD1 HIS 31 HD1 HIS 31 5.435 1.301 0.051 207 HD2 HIS 31 HD2 HIS 31 1.701 1.793 1.804 208 HE1 HIS 31 HE1 HIS 31 4.247 3.008 -1.364 209 H GLN 32 H GLN 32 3.229 1.762 4.451 210 HA GLN 32 HA GLN 32 2.995 4.290 3.645 211 HB2 GLN 32 1HB GLN 32 2.986 3.449 6.549 212 HB3 GLN 32 2HB GLN 32 2.274 4.928 5.918 213 HG2 GLN 32 1HG GLN 32 0.824 3.459 4.465 214 HG3 GLN 32 2HG GLN 32 1.402 2.099 5.426 215 HE21 GLN 32 1HE2 GLN 32 -1.112 2.196 5.593 216 HE22 GLN 32 2HE2 GLN 32 -1.707 2.983 7.012 217 H ARG 33 H ARG 33 5.403 3.238 6.035 218 HA ARG 33 HA ARG 33 6.559 5.583 6.769 219 HB2 ARG 33 1HB ARG 33 7.714 2.875 6.228 220 HB3 ARG 33 2HB ARG 33 8.789 4.206 6.631 221 HG2 ARG 33 1HG ARG 33 7.625 4.545 8.732 222 HG3 ARG 33 2HG ARG 33 6.484 3.262 8.322 223 HD2 ARG 33 1HD ARG 33 8.352 1.658 8.255 224 HD3 ARG 33 2HD ARG 33 9.457 2.948 8.725 225 HE ARG 33 HE ARG 33 8.778 2.667 10.882 226 HH11 ARG 33 1HH1 ARG 33 6.365 1.310 8.772 227 HH12 ARG 33 2HH1 ARG 33 5.414 0.657 10.065 228 HH21 ARG 33 1HH2 ARG 33 7.535 1.812 12.593 229 HH22 ARG 33 2HH2 ARG 33 6.080 0.944 12.238 230 H THR 34 H THR 34 7.458 3.715 3.869 231 HA THR 34 HA THR 34 9.430 5.125 2.751 232 HB THR 34 HB THR 34 8.524 4.657 0.518 233 HG1 THR 34 HG1 THR 34 6.149 4.393 1.989 234 HG21 THR 34 3HG2 THR 34 8.580 2.325 0.666 235 HG22 THR 34 1HG2 THR 34 7.796 2.312 2.246 236 HG23 THR 34 2HG2 THR 34 9.469 2.850 2.095 237 H HIS 35 H HIS 35 6.055 6.172 2.840 238 HA HIS 35 HA HIS 35 6.401 8.492 1.256 239 HB2 HIS 35 1HB HIS 35 4.314 7.776 3.322 240 HB3 HIS 35 2HB HIS 35 4.233 9.214 2.307 241 HD1 HIS 35 HD1 HIS 35 5.125 7.878 -0.369 242 HD2 HIS 35 HD2 HIS 35 2.247 6.363 2.215 243 HE1 HIS 35 HE1 HIS 35 3.669 6.393 -1.782 244 H THR 36 H THR 36 6.231 8.042 4.784 245 HA THR 36 HA THR 36 7.530 10.672 5.087 246 HB THR 36 HB THR 36 5.433 10.916 6.109 247 HG1 THR 36 HG1 THR 36 6.453 11.664 7.800 248 HG21 THR 36 3HG2 THR 36 4.950 9.028 7.988 249 HG22 THR 36 1HG2 THR 36 5.771 8.062 6.762 250 HG23 THR 36 2HG2 THR 36 4.316 8.966 6.344 251 H GLY 37 H GLY 37 9.581 10.537 5.706 252 HA2 GLY 37 1HA GLY 37 10.891 9.800 7.761 253 HA3 GLY 37 2HA GLY 37 10.417 8.180 7.273 254 H GLU 38 H GLU 38 11.290 7.295 5.339 255 HA GLU 38 HA GLU 38 13.681 8.699 4.346 256 HB2 GLU 38 1HB GLU 38 13.933 6.606 5.948 257 HB3 GLU 38 2HB GLU 38 13.636 5.717 4.461 258 HG2 GLU 38 1HG GLU 38 15.513 7.242 3.499 259 HG3 GLU 38 2HG GLU 38 15.937 7.462 5.195 260 H SER 39 H SER 39 14.356 8.103 2.189 261 HA SER 39 HA SER 39 12.630 6.536 0.520 262 HB2 SER 39 1HB SER 39 11.934 8.380 -0.968 263 HB3 SER 39 2HB SER 39 11.281 8.577 0.658 264 HG SER 39 HG SER 39 12.390 10.350 0.874 265 H GLY 40 H GLY 40 13.754 5.753 -1.162 266 HA2 GLY 40 1HA GLY 40 16.524 6.369 -1.417 267 HA3 GLY 40 2HA GLY 40 15.602 5.289 -2.452 268 HA PRO 41 HA PRO 41 16.830 8.933 -5.007 269 HB2 PRO 41 1HB PRO 41 17.487 7.461 -7.192 270 HB3 PRO 41 2HB PRO 41 18.618 7.779 -5.872 271 HG2 PRO 41 1HG PRO 41 16.960 5.343 -6.399 272 HG3 PRO 41 2HG PRO 41 18.653 5.454 -5.884 273 HD2 PRO 41 1HD PRO 41 16.636 4.929 -4.156 274 HD3 PRO 41 2HD PRO 41 18.090 5.831 -3.681 275 H SER 42 H SER 42 14.337 6.786 -4.865 276 HA SER 42 HA SER 42 13.066 6.662 -7.264 277 HB2 SER 42 1HB SER 42 12.150 5.699 -5.195 278 HB3 SER 42 2HB SER 42 11.757 7.316 -4.612 279 HG SER 42 HG SER 42 10.601 7.309 -6.855 280 H SER 43 H SER 43 13.358 8.374 -8.641 281 HA SER 43 HA SER 43 13.035 11.082 -7.997 282 HB2 SER 43 1HB SER 43 14.193 10.309 -10.029 283 HB3 SER 43 2HB SER 43 12.659 9.733 -10.682 284 HG SER 43 HG SER 43 13.585 12.353 -10.340 285 H GLY 44 H GLY 44 11.284 12.233 -7.535 286 HA2 GLY 44 1HA GLY 44 8.955 12.540 -8.803 287 HA3 GLY 44 2HA GLY 44 8.655 11.049 -7.922 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -16.736 -29.284 -10.606 2 HA2 GLY 1 1HA GLY 1 -14.776 -29.184 -12.057 3 HA3 GLY 1 2HA GLY 1 -15.976 -28.045 -12.649 4 H SER 2 H SER 2 -15.508 -25.912 -12.687 5 HA SER 2 HA SER 2 -12.864 -25.052 -12.585 6 HB2 SER 2 1HB SER 2 -13.675 -22.889 -13.027 7 HB3 SER 2 2HB SER 2 -14.913 -23.946 -13.704 8 HG SER 2 HG SER 2 -15.750 -23.649 -11.338 9 H SER 3 H SER 3 -12.134 -23.136 -11.186 10 HA SER 3 HA SER 3 -12.781 -23.734 -8.373 11 HB2 SER 3 1HB SER 3 -10.437 -22.953 -7.881 12 HB3 SER 3 2HB SER 3 -10.528 -24.442 -8.822 13 HG SER 3 HG SER 3 -9.393 -22.088 -9.472 14 H GLY 4 H GLY 4 -11.518 -21.149 -10.484 15 HA2 GLY 4 1HA GLY 4 -12.559 -18.993 -10.591 16 HA3 GLY 4 2HA GLY 4 -13.147 -19.236 -8.953 17 H SER 5 H SER 5 -10.587 -18.067 -10.920 18 HA SER 5 HA SER 5 -8.848 -17.617 -8.611 19 HB2 SER 5 1HB SER 5 -8.462 -17.557 -11.577 20 HB3 SER 5 2HB SER 5 -7.375 -16.610 -10.561 21 HG SER 5 HG SER 5 -7.854 -19.404 -10.421 22 H SER 6 H SER 6 -8.802 -15.738 -7.580 23 HA SER 6 HA SER 6 -10.513 -13.674 -7.819 24 HB2 SER 6 1HB SER 6 -8.790 -13.957 -6.017 25 HB3 SER 6 2HB SER 6 -7.596 -13.272 -7.120 26 HG SER 6 HG SER 6 -8.382 -11.349 -6.769 27 H GLY 7 H GLY 7 -10.983 -12.171 -9.280 28 HA2 GLY 7 1HA GLY 7 -9.258 -11.849 -11.595 29 HA3 GLY 7 2HA GLY 7 -10.870 -11.178 -11.391 30 H THR 8 H THR 8 -11.113 -9.271 -10.074 31 HA THR 8 HA THR 8 -9.099 -7.342 -10.591 32 HB THR 8 HB THR 8 -10.504 -5.788 -9.294 33 HG1 THR 8 HG1 THR 8 -12.427 -7.797 -8.903 34 HG21 THR 8 3HG2 THR 8 -12.194 -5.651 -10.858 35 HG22 THR 8 1HG2 THR 8 -12.429 -7.397 -10.915 36 HG23 THR 8 2HG2 THR 8 -11.031 -6.670 -11.707 37 H GLY 9 H GLY 9 -7.985 -6.021 -9.007 38 HA2 GLY 9 1HA GLY 9 -7.069 -7.653 -6.746 39 HA3 GLY 9 2HA GLY 9 -6.209 -6.291 -7.448 40 H GLU 10 H GLU 10 -9.224 -7.047 -5.712 41 HA GLU 10 HA GLU 10 -9.132 -4.377 -4.503 42 HB2 GLU 10 1HB GLU 10 -11.356 -6.424 -4.474 43 HB3 GLU 10 2HB GLU 10 -11.450 -4.790 -3.832 44 HG2 GLU 10 1HG GLU 10 -10.792 -5.280 -6.709 45 HG3 GLU 10 2HG GLU 10 -12.460 -5.271 -6.140 46 H LYS 11 H LYS 11 -7.490 -4.763 -2.989 47 HA LYS 11 HA LYS 11 -7.813 -6.890 -1.046 48 HB2 LYS 11 1HB LYS 11 -5.713 -4.887 -1.700 49 HB3 LYS 11 2HB LYS 11 -5.764 -5.492 -0.049 50 HG2 LYS 11 1HG LYS 11 -4.246 -6.875 -1.174 51 HG3 LYS 11 2HG LYS 11 -5.733 -7.820 -1.054 52 HD2 LYS 11 1HD LYS 11 -5.334 -6.144 -3.477 53 HD3 LYS 11 2HD LYS 11 -4.379 -7.620 -3.325 54 HE2 LYS 11 1HE LYS 11 -7.378 -7.516 -3.045 55 HE3 LYS 11 2HE LYS 11 -6.544 -7.888 -4.553 56 HZ1 LYS 11 3HZ LYS 11 -5.390 -9.692 -3.169 57 HZ2 LYS 11 1HZ LYS 11 -6.989 -9.957 -3.653 58 HZ3 LYS 11 2HZ LYS 11 -6.655 -9.471 -2.068 59 HA PRO 12 HA PRO 12 -9.929 -4.609 2.051 60 HB2 PRO 12 1HB PRO 12 -8.868 -5.681 4.309 61 HB3 PRO 12 2HB PRO 12 -9.998 -6.556 3.269 62 HG2 PRO 12 1HG PRO 12 -7.012 -6.736 3.396 63 HG3 PRO 12 2HG PRO 12 -8.207 -8.040 3.261 64 HD2 PRO 12 1HD PRO 12 -6.816 -7.111 1.131 65 HD3 PRO 12 2HD PRO 12 -8.475 -7.729 0.993 66 H TYR 13 H TYR 13 -6.588 -4.316 1.593 67 HA TYR 13 HA TYR 13 -6.493 -2.009 3.425 68 HB2 TYR 13 1HB TYR 13 -4.147 -3.740 2.626 69 HB3 TYR 13 2HB TYR 13 -4.138 -2.424 3.794 70 HD1 TYR 13 HD2 TYR 13 -5.302 -2.701 5.972 71 HD2 TYR 13 HD1 TYR 13 -4.870 -5.929 3.234 72 HE1 TYR 13 HE2 TYR 13 -5.819 -4.292 7.775 73 HE2 TYR 13 HE1 TYR 13 -5.386 -7.529 5.029 74 HH TYR 13 HH TYR 13 -6.654 -7.461 7.246 75 H GLU 14 H GLU 14 -5.917 -0.096 2.578 76 HA GLU 14 HA GLU 14 -4.575 -0.003 -0.014 77 HB2 GLU 14 1HB GLU 14 -7.326 1.018 0.564 78 HB3 GLU 14 2HB GLU 14 -6.307 1.904 -0.562 79 HG2 GLU 14 1HG GLU 14 -6.304 0.206 -2.112 80 HG3 GLU 14 2HG GLU 14 -6.665 -1.033 -0.912 81 H CYS 15 H CYS 15 -3.123 1.602 -0.154 82 HA CYS 15 HA CYS 15 -2.478 3.133 2.138 83 HB2 CYS 15 1HB CYS 15 -1.018 2.333 0.080 84 HB3 CYS 15 2HB CYS 15 -1.463 3.912 -0.560 85 H ASN 16 H ASN 16 -2.556 5.383 2.458 86 HA ASN 16 HA ASN 16 -4.728 6.701 0.981 87 HB2 ASN 16 1HB ASN 16 -4.713 8.272 2.993 88 HB3 ASN 16 2HB ASN 16 -5.267 6.626 3.286 89 HD21 ASN 16 1HD2 ASN 16 -4.774 7.178 5.519 90 HD22 ASN 16 2HD2 ASN 16 -3.156 6.978 6.091 91 H GLU 17 H GLU 17 -1.558 6.516 0.714 92 HA GLU 17 HA GLU 17 -1.187 9.396 0.215 93 HB2 GLU 17 1HB GLU 17 0.725 7.260 1.102 94 HB3 GLU 17 2HB GLU 17 1.318 8.692 0.272 95 HG2 GLU 17 1HG GLU 17 -0.474 9.005 2.631 96 HG3 GLU 17 2HG GLU 17 1.226 8.609 2.873 97 H CYS 18 H CYS 18 -0.470 6.147 -1.005 98 HA CYS 18 HA CYS 18 0.070 7.312 -3.651 99 HB2 CYS 18 1HB CYS 18 1.184 5.186 -4.182 100 HB3 CYS 18 2HB CYS 18 1.890 5.941 -2.757 101 H GLN 19 H GLN 19 -2.254 5.647 -1.872 102 HA GLN 19 HA GLN 19 -4.251 4.699 -2.407 103 HB2 GLN 19 1HB GLN 19 -3.597 6.248 -4.874 104 HB3 GLN 19 2HB GLN 19 -4.946 5.120 -4.922 105 HG2 GLN 19 1HG GLN 19 -5.564 7.471 -4.386 106 HG3 GLN 19 2HG GLN 19 -6.089 6.280 -3.198 107 HE21 GLN 19 1HE2 GLN 19 -5.669 6.704 -1.152 108 HE22 GLN 19 2HE2 GLN 19 -4.500 7.834 -0.568 109 H LYS 20 H LYS 20 -2.188 2.958 -2.349 110 HA LYS 20 HA LYS 20 -2.546 1.251 -4.719 111 HB2 LYS 20 1HB LYS 20 -0.311 1.580 -2.753 112 HB3 LYS 20 2HB LYS 20 -0.499 0.050 -3.599 113 HG2 LYS 20 1HG LYS 20 -0.237 1.120 -5.724 114 HG3 LYS 20 2HG LYS 20 -0.254 2.717 -4.972 115 HD2 LYS 20 1HD LYS 20 2.018 2.204 -5.429 116 HD3 LYS 20 2HD LYS 20 1.797 2.009 -3.689 117 HE2 LYS 20 1HE LYS 20 1.336 -0.472 -4.280 118 HE3 LYS 20 2HE LYS 20 2.135 -0.084 -5.803 119 HZ1 LYS 20 3HZ LYS 20 4.104 -0.185 -4.819 120 HZ2 LYS 20 1HZ LYS 20 3.343 -0.771 -3.427 121 HZ3 LYS 20 2HZ LYS 20 3.634 0.886 -3.597 122 H ALA 21 H ALA 21 -2.079 -1.190 -3.978 123 HA ALA 21 HA ALA 21 -3.842 -1.733 -1.679 124 HB1 ALA 21 3HB ALA 21 -5.272 -2.618 -3.142 125 HB2 ALA 21 1HB ALA 21 -4.090 -2.565 -4.450 126 HB3 ALA 21 2HB ALA 21 -4.108 -3.929 -3.331 127 H PHE 22 H PHE 22 -3.258 -3.362 -0.303 128 HA PHE 22 HA PHE 22 -0.771 -4.810 -0.919 129 HB2 PHE 22 1HB PHE 22 -1.530 -3.443 1.665 130 HB3 PHE 22 2HB PHE 22 -0.225 -4.618 1.542 131 HD1 PHE 22 HD2 PHE 22 -1.375 -1.297 0.425 132 HD2 PHE 22 HD1 PHE 22 1.888 -4.019 0.675 133 HE1 PHE 22 HE2 PHE 22 0.169 0.497 -0.247 134 HE2 PHE 22 HE1 PHE 22 3.437 -2.229 0.004 135 HZ PHE 22 HZ PHE 22 2.578 0.032 -0.459 136 H ASN 23 H ASN 23 -0.867 -6.947 -0.635 137 HA ASN 23 HA ASN 23 -3.186 -8.356 -0.251 138 HB2 ASN 23 1HB ASN 23 -1.864 -10.314 -0.043 139 HB3 ASN 23 2HB ASN 23 -0.933 -9.222 -1.064 140 HD21 ASN 23 1HD2 ASN 23 0.476 -7.674 0.372 141 HD22 ASN 23 2HD2 ASN 23 1.439 -8.489 1.552 142 H THR 24 H THR 24 -0.761 -7.528 2.208 143 HA THR 24 HA THR 24 -2.765 -8.174 4.272 144 HB THR 24 HB THR 24 -0.835 -8.614 5.807 145 HG1 THR 24 HG1 THR 24 0.986 -7.864 4.976 146 HG21 THR 24 3HG2 THR 24 -0.202 -10.819 4.677 147 HG22 THR 24 1HG2 THR 24 -1.259 -10.312 3.360 148 HG23 THR 24 2HG2 THR 24 -1.916 -10.536 4.982 149 H LYS 25 H LYS 25 -2.147 -7.032 6.422 150 HA LYS 25 HA LYS 25 -2.141 -4.209 5.876 151 HB2 LYS 25 1HB LYS 25 -3.526 -5.378 7.656 152 HB3 LYS 25 2HB LYS 25 -2.041 -5.534 8.586 153 HG2 LYS 25 1HG LYS 25 -1.835 -3.003 8.360 154 HG3 LYS 25 2HG LYS 25 -3.516 -3.037 7.825 155 HD2 LYS 25 1HD LYS 25 -2.786 -4.461 10.338 156 HD3 LYS 25 2HD LYS 25 -2.896 -2.700 10.365 157 HE2 LYS 25 1HE LYS 25 -5.179 -2.946 9.325 158 HE3 LYS 25 2HE LYS 25 -5.045 -4.677 9.629 159 HZ1 LYS 25 3HZ LYS 25 -4.457 -3.715 12.033 160 HZ2 LYS 25 1HZ LYS 25 -6.032 -4.102 11.552 161 HZ3 LYS 25 2HZ LYS 25 -5.501 -2.498 11.494 162 H SER 26 H SER 26 -0.093 -6.312 7.906 163 HA SER 26 HA SER 26 1.810 -4.663 8.803 164 HB2 SER 26 1HB SER 26 1.811 -7.161 9.035 165 HB3 SER 26 2HB SER 26 2.505 -7.263 7.417 166 HG SER 26 HG SER 26 3.652 -5.952 9.660 167 H ASN 27 H ASN 27 1.837 -6.022 5.512 168 HA ASN 27 HA ASN 27 4.147 -4.809 4.579 169 HB2 ASN 27 1HB ASN 27 2.532 -6.530 3.452 170 HB3 ASN 27 2HB ASN 27 1.756 -5.094 2.789 171 HD21 ASN 27 1HD2 ASN 27 3.439 -3.476 1.885 172 HD22 ASN 27 2HD2 ASN 27 4.630 -4.170 0.843 173 H LEU 28 H LEU 28 0.807 -3.593 4.422 174 HA LEU 28 HA LEU 28 1.356 -1.184 3.120 175 HB2 LEU 28 1HB LEU 28 -0.891 -1.876 3.269 176 HB3 LEU 28 2HB LEU 28 -0.812 -2.013 5.025 177 HG LEU 28 HG LEU 28 -0.630 0.466 5.150 178 HD11 LEU 28 1HD1 LEU 28 -0.704 1.835 3.333 179 HD12 LEU 28 2HD1 LEU 28 -1.594 0.673 2.350 180 HD13 LEU 28 3HD1 LEU 28 0.136 0.459 2.618 181 HD21 LEU 28 3HD2 LEU 28 -2.980 0.890 4.673 182 HD22 LEU 28 1HD2 LEU 28 -2.772 -0.679 5.450 183 HD23 LEU 28 2HD2 LEU 28 -3.065 -0.588 3.713 184 H MET 29 H MET 29 0.890 -1.738 6.616 185 HA MET 29 HA MET 29 1.398 0.753 7.594 186 HB2 MET 29 1HB MET 29 2.315 -1.893 8.730 187 HB3 MET 29 2HB MET 29 2.330 -0.377 9.622 188 HG2 MET 29 1HG MET 29 -0.161 -0.248 9.126 189 HG3 MET 29 2HG MET 29 -0.031 -1.935 8.633 190 HE1 MET 29 3HE MET 29 -0.551 -3.860 11.498 191 HE2 MET 29 1HE MET 29 -0.128 -3.704 9.793 192 HE3 MET 29 2HE MET 29 1.142 -3.883 11.003 193 H VAL 30 H VAL 30 3.890 -1.739 7.033 194 HA VAL 30 HA VAL 30 6.100 -0.138 7.651 195 HB VAL 30 HB VAL 30 5.957 -2.467 5.732 196 HG11 VAL 30 1HG1 VAL 30 8.207 -0.835 6.774 197 HG12 VAL 30 2HG1 VAL 30 8.453 -2.575 6.616 198 HG13 VAL 30 3HG1 VAL 30 8.005 -1.615 5.206 199 HG21 VAL 30 3HG2 VAL 30 5.920 -3.839 7.491 200 HG22 VAL 30 1HG2 VAL 30 7.184 -2.931 8.319 201 HG23 VAL 30 2HG2 VAL 30 5.499 -2.429 8.462 202 H HIS 31 H HIS 31 4.666 -0.891 4.479 203 HA HIS 31 HA HIS 31 6.365 0.511 2.838 204 HB2 HIS 31 1HB HIS 31 4.769 -0.706 1.683 205 HB3 HIS 31 2HB HIS 31 3.446 -0.125 2.690 206 HD1 HIS 31 HD1 HIS 31 5.790 1.204 0.010 207 HD2 HIS 31 HD2 HIS 31 1.986 1.857 1.549 208 HE1 HIS 31 HE1 HIS 31 4.747 2.935 -1.486 209 H GLN 32 H GLN 32 3.415 1.779 4.386 210 HA GLN 32 HA GLN 32 3.261 4.306 3.534 211 HB2 GLN 32 1HB GLN 32 3.046 3.274 6.352 212 HB3 GLN 32 2HB GLN 32 2.720 4.957 5.963 213 HG2 GLN 32 1HG GLN 32 1.095 3.988 4.203 214 HG3 GLN 32 2HG GLN 32 1.214 2.509 5.155 215 HE21 GLN 32 1HE2 GLN 32 -1.183 3.188 5.179 216 HE22 GLN 32 2HE2 GLN 32 -1.676 4.110 6.554 217 H ARG 33 H ARG 33 5.596 3.205 5.973 218 HA ARG 33 HA ARG 33 6.807 5.503 6.734 219 HB2 ARG 33 1HB ARG 33 8.074 2.857 6.031 220 HB3 ARG 33 2HB ARG 33 8.972 4.174 6.774 221 HG2 ARG 33 1HG ARG 33 7.259 4.129 8.629 222 HG3 ARG 33 2HG ARG 33 6.676 2.620 7.926 223 HD2 ARG 33 1HD ARG 33 8.170 1.786 9.436 224 HD3 ARG 33 2HD ARG 33 9.235 1.985 8.045 225 HE ARG 33 HE ARG 33 10.422 3.475 9.285 226 HH11 ARG 33 1HH1 ARG 33 7.160 3.402 10.499 227 HH12 ARG 33 2HH1 ARG 33 7.476 4.518 11.786 228 HH21 ARG 33 1HH2 ARG 33 10.850 4.945 10.975 229 HH22 ARG 33 2HH2 ARG 33 9.575 5.396 12.055 230 H THR 34 H THR 34 7.700 3.663 3.814 231 HA THR 34 HA THR 34 9.697 5.087 2.740 232 HB THR 34 HB THR 34 8.854 4.601 0.496 233 HG1 THR 34 HG1 THR 34 6.776 4.380 0.140 234 HG21 THR 34 3HG2 THR 34 9.522 2.771 2.383 235 HG22 THR 34 1HG2 THR 34 9.209 2.379 0.692 236 HG23 THR 34 2HG2 THR 34 7.934 2.178 1.895 237 H HIS 35 H HIS 35 6.275 6.031 2.488 238 HA HIS 35 HA HIS 35 6.649 8.372 1.009 239 HB2 HIS 35 1HB HIS 35 4.515 7.704 3.046 240 HB3 HIS 35 2HB HIS 35 4.441 9.066 1.931 241 HD1 HIS 35 HD1 HIS 35 5.037 7.966 -0.722 242 HD2 HIS 35 HD2 HIS 35 2.899 5.777 2.088 243 HE1 HIS 35 HE1 HIS 35 3.745 6.258 -2.041 244 H THR 36 H THR 36 6.372 7.959 4.535 245 HA THR 36 HA THR 36 7.066 10.721 5.012 246 HB THR 36 HB THR 36 5.472 9.516 6.486 247 HG1 THR 36 HG1 THR 36 7.783 10.796 7.400 248 HG21 THR 36 3HG2 THR 36 6.062 7.398 6.975 249 HG22 THR 36 1HG2 THR 36 6.990 8.137 8.279 250 HG23 THR 36 2HG2 THR 36 7.782 7.722 6.759 251 H GLY 37 H GLY 37 9.065 9.355 3.571 252 HA2 GLY 37 1HA GLY 37 11.373 10.113 4.935 253 HA3 GLY 37 2HA GLY 37 11.157 8.392 5.218 254 H GLU 38 H GLU 38 10.601 10.429 2.350 255 HA GLU 38 HA GLU 38 12.527 8.736 0.901 256 HB2 GLU 38 1HB GLU 38 10.170 8.206 0.305 257 HB3 GLU 38 2HB GLU 38 9.960 9.870 -0.220 258 HG2 GLU 38 1HG GLU 38 10.337 8.492 -2.136 259 HG3 GLU 38 2HG GLU 38 11.743 9.528 -1.894 260 H SER 39 H SER 39 14.160 9.838 0.061 261 HA SER 39 HA SER 39 13.867 12.740 -0.291 262 HB2 SER 39 1HB SER 39 16.180 10.962 0.365 263 HB3 SER 39 2HB SER 39 16.491 12.484 -0.468 264 HG SER 39 HG SER 39 16.404 13.297 1.467 265 H GLY 40 H GLY 40 12.825 12.571 -2.335 266 HA2 GLY 40 1HA GLY 40 14.092 13.115 -4.576 267 HA3 GLY 40 2HA GLY 40 14.372 11.382 -4.515 268 HA PRO 41 HA PRO 41 10.601 10.827 -6.697 269 HB2 PRO 41 1HB PRO 41 10.074 8.251 -6.021 270 HB3 PRO 41 2HB PRO 41 11.349 8.704 -7.157 271 HG2 PRO 41 1HG PRO 41 11.559 8.007 -4.254 272 HG3 PRO 41 2HG PRO 41 12.598 7.509 -5.602 273 HD2 PRO 41 1HD PRO 41 13.280 9.497 -3.895 274 HD3 PRO 41 2HD PRO 41 13.764 9.497 -5.603 275 H SER 42 H SER 42 8.728 11.709 -6.106 276 HA SER 42 HA SER 42 7.524 10.871 -3.549 277 HB2 SER 42 1HB SER 42 8.272 13.209 -3.453 278 HB3 SER 42 2HB SER 42 7.322 13.579 -4.892 279 HG SER 42 HG SER 42 5.576 13.653 -3.714 280 H SER 43 H SER 43 5.935 9.499 -4.031 281 HA SER 43 HA SER 43 4.084 8.580 -4.984 282 HB2 SER 43 1HB SER 43 3.425 11.447 -5.702 283 HB3 SER 43 2HB SER 43 2.285 10.105 -5.596 284 HG SER 43 HG SER 43 3.865 10.701 -3.364 285 H GLY 44 H GLY 44 6.351 8.492 -6.581 286 HA2 GLY 44 1HA GLY 44 5.434 9.183 -9.282 287 HA3 GLY 44 2HA GLY 44 7.072 8.726 -8.836 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.896 -1.671 -24.828 2 HA2 GLY 1 1HA GLY 1 -4.338 -3.481 -23.073 3 HA3 GLY 1 2HA GLY 1 -2.681 -2.901 -23.169 4 H SER 2 H SER 2 -5.769 -2.052 -21.603 5 HA SER 2 HA SER 2 -4.495 -2.002 -19.019 6 HB2 SER 2 1HB SER 2 -3.933 0.243 -19.888 7 HB3 SER 2 2HB SER 2 -5.648 0.563 -20.142 8 HG SER 2 HG SER 2 -5.337 1.383 -18.182 9 H SER 3 H SER 3 -5.898 -2.862 -17.650 10 HA SER 3 HA SER 3 -8.775 -2.439 -18.131 11 HB2 SER 3 1HB SER 3 -7.490 -4.926 -16.978 12 HB3 SER 3 2HB SER 3 -9.206 -4.690 -17.310 13 HG SER 3 HG SER 3 -8.186 -4.192 -19.569 14 H GLY 4 H GLY 4 -10.138 -2.448 -16.244 15 HA2 GLY 4 1HA GLY 4 -9.132 -0.894 -14.130 16 HA3 GLY 4 2HA GLY 4 -10.683 -1.720 -14.138 17 H SER 5 H SER 5 -9.471 -1.543 -11.774 18 HA SER 5 HA SER 5 -7.588 -3.441 -11.049 19 HB2 SER 5 1HB SER 5 -9.941 -2.564 -9.360 20 HB3 SER 5 2HB SER 5 -8.402 -3.199 -8.780 21 HG SER 5 HG SER 5 -8.402 -0.948 -8.649 22 H SER 6 H SER 6 -7.586 -5.587 -10.813 23 HA SER 6 HA SER 6 -10.149 -7.010 -10.673 24 HB2 SER 6 1HB SER 6 -9.145 -6.937 -13.044 25 HB3 SER 6 2HB SER 6 -7.904 -8.019 -12.413 26 HG SER 6 HG SER 6 -9.312 -9.510 -12.882 27 H GLY 7 H GLY 7 -10.160 -8.802 -9.390 28 HA2 GLY 7 1HA GLY 7 -8.600 -10.666 -8.575 29 HA3 GLY 7 2HA GLY 7 -7.658 -9.332 -7.925 30 H THR 8 H THR 8 -10.544 -11.244 -7.596 31 HA THR 8 HA THR 8 -12.165 -11.340 -5.975 32 HB THR 8 HB THR 8 -11.290 -11.528 -3.691 33 HG1 THR 8 HG1 THR 8 -8.804 -11.272 -3.721 34 HG21 THR 8 3HG2 THR 8 -10.657 -13.135 -5.833 35 HG22 THR 8 1HG2 THR 8 -10.418 -13.546 -4.136 36 HG23 THR 8 2HG2 THR 8 -9.090 -12.860 -5.072 37 H GLY 9 H GLY 9 -12.046 -8.779 -7.115 38 HA2 GLY 9 1HA GLY 9 -13.141 -6.781 -6.686 39 HA3 GLY 9 2HA GLY 9 -13.277 -7.255 -4.999 40 H GLU 10 H GLU 10 -12.463 -5.616 -3.857 41 HA GLU 10 HA GLU 10 -9.862 -4.511 -4.689 42 HB2 GLU 10 1HB GLU 10 -12.214 -3.279 -3.290 43 HB3 GLU 10 2HB GLU 10 -10.606 -2.593 -3.099 44 HG2 GLU 10 1HG GLU 10 -10.448 -2.309 -5.526 45 HG3 GLU 10 2HG GLU 10 -12.073 -2.969 -5.700 46 H LYS 11 H LYS 11 -8.164 -4.717 -3.368 47 HA LYS 11 HA LYS 11 -8.165 -6.465 -1.202 48 HB2 LYS 11 1HB LYS 11 -6.222 -4.286 -1.968 49 HB3 LYS 11 2HB LYS 11 -5.919 -5.435 -0.672 50 HG2 LYS 11 1HG LYS 11 -4.813 -6.409 -2.431 51 HG3 LYS 11 2HG LYS 11 -6.379 -7.219 -2.507 52 HD2 LYS 11 1HD LYS 11 -7.005 -6.125 -4.417 53 HD3 LYS 11 2HD LYS 11 -6.027 -4.701 -4.051 54 HE2 LYS 11 1HE LYS 11 -5.015 -5.788 -5.907 55 HE3 LYS 11 2HE LYS 11 -3.996 -6.103 -4.504 56 HZ1 LYS 11 3HZ LYS 11 -5.091 -8.278 -4.293 57 HZ2 LYS 11 1HZ LYS 11 -4.275 -8.109 -5.765 58 HZ3 LYS 11 2HZ LYS 11 -5.960 -7.973 -5.712 59 HA PRO 12 HA PRO 12 -9.741 -4.104 2.162 60 HB2 PRO 12 1HB PRO 12 -8.583 -5.449 4.217 61 HB3 PRO 12 2HB PRO 12 -9.933 -6.102 3.280 62 HG2 PRO 12 1HG PRO 12 -7.004 -6.672 3.033 63 HG3 PRO 12 2HG PRO 12 -8.372 -7.799 2.980 64 HD2 PRO 12 1HD PRO 12 -7.121 -6.920 0.745 65 HD3 PRO 12 2HD PRO 12 -8.853 -7.309 0.780 66 H TYR 13 H TYR 13 -6.517 -4.120 1.235 67 HA TYR 13 HA TYR 13 -5.850 -2.065 3.240 68 HB2 TYR 13 1HB TYR 13 -3.836 -3.805 1.818 69 HB3 TYR 13 2HB TYR 13 -3.568 -2.756 3.206 70 HD1 TYR 13 HD2 TYR 13 -4.890 -3.365 5.368 71 HD2 TYR 13 HD1 TYR 13 -4.220 -6.070 2.153 72 HE1 TYR 13 HE2 TYR 13 -5.300 -5.258 6.883 73 HE2 TYR 13 HE1 TYR 13 -4.629 -7.971 3.659 74 HH TYR 13 HH TYR 13 -6.118 -7.744 6.542 75 H GLU 14 H GLU 14 -6.153 -0.178 2.223 76 HA GLU 14 HA GLU 14 -4.848 0.183 -0.394 77 HB2 GLU 14 1HB GLU 14 -7.553 1.029 0.549 78 HB3 GLU 14 2HB GLU 14 -6.698 2.057 -0.593 79 HG2 GLU 14 1HG GLU 14 -6.793 0.499 -2.279 80 HG3 GLU 14 2HG GLU 14 -6.968 -0.855 -1.164 81 H CYS 15 H CYS 15 -3.336 1.707 -0.446 82 HA CYS 15 HA CYS 15 -2.704 3.235 1.872 83 HB2 CYS 15 1HB CYS 15 -1.172 2.341 -0.072 84 HB3 CYS 15 2HB CYS 15 -1.567 3.886 -0.819 85 H ASN 16 H ASN 16 -3.437 5.162 2.468 86 HA ASN 16 HA ASN 16 -5.227 6.617 0.721 87 HB2 ASN 16 1HB ASN 16 -5.615 8.054 2.686 88 HB3 ASN 16 2HB ASN 16 -5.819 6.349 3.078 89 HD21 ASN 16 1HD2 ASN 16 -5.196 8.652 4.784 90 HD22 ASN 16 2HD2 ASN 16 -3.725 8.249 5.596 91 H GLU 17 H GLU 17 -2.274 6.460 0.209 92 HA GLU 17 HA GLU 17 -1.816 9.358 -0.006 93 HB2 GLU 17 1HB GLU 17 -0.008 7.245 1.067 94 HB3 GLU 17 2HB GLU 17 0.712 8.550 0.135 95 HG2 GLU 17 1HG GLU 17 -0.057 10.188 1.659 96 HG3 GLU 17 2HG GLU 17 -1.097 9.028 2.484 97 H CYS 18 H CYS 18 -0.890 6.151 -1.221 98 HA CYS 18 HA CYS 18 -0.466 7.372 -3.870 99 HB2 CYS 18 1HB CYS 18 1.131 5.609 -4.354 100 HB3 CYS 18 2HB CYS 18 1.593 6.425 -2.864 101 H GLN 19 H GLN 19 -2.546 5.518 -2.114 102 HA GLN 19 HA GLN 19 -4.263 4.113 -2.615 103 HB2 GLN 19 1HB GLN 19 -3.896 5.002 -5.474 104 HB3 GLN 19 2HB GLN 19 -5.368 4.418 -4.711 105 HG2 GLN 19 1HG GLN 19 -4.940 6.511 -3.146 106 HG3 GLN 19 2HG GLN 19 -4.086 7.084 -4.578 107 HE21 GLN 19 1HE2 GLN 19 -7.092 6.639 -3.088 108 HE22 GLN 19 2HE2 GLN 19 -8.093 7.128 -4.408 109 H LYS 20 H LYS 20 -1.820 2.870 -2.441 110 HA LYS 20 HA LYS 20 -1.779 0.956 -4.669 111 HB2 LYS 20 1HB LYS 20 0.353 2.090 -4.105 112 HB3 LYS 20 2HB LYS 20 0.274 1.394 -2.492 113 HG2 LYS 20 1HG LYS 20 0.776 -0.722 -3.229 114 HG3 LYS 20 2HG LYS 20 0.180 -0.411 -4.861 115 HD2 LYS 20 1HD LYS 20 2.100 0.994 -5.326 116 HD3 LYS 20 2HD LYS 20 2.674 0.800 -3.668 117 HE2 LYS 20 1HE LYS 20 2.789 -1.673 -4.111 118 HE3 LYS 20 2HE LYS 20 2.469 -1.311 -5.807 119 HZ1 LYS 20 3HZ LYS 20 4.781 -0.319 -4.228 120 HZ2 LYS 20 1HZ LYS 20 4.471 0.050 -5.850 121 HZ3 LYS 20 2HZ LYS 20 4.831 -1.540 -5.398 122 H ALA 21 H ALA 21 -2.835 -0.881 -4.369 123 HA ALA 21 HA ALA 21 -3.696 -1.730 -1.767 124 HB1 ALA 21 3HB ALA 21 -4.459 -3.783 -3.182 125 HB2 ALA 21 1HB ALA 21 -5.269 -2.227 -3.374 126 HB3 ALA 21 2HB ALA 21 -4.061 -2.744 -4.551 127 H PHE 22 H PHE 22 -3.103 -3.594 -0.649 128 HA PHE 22 HA PHE 22 -0.658 -4.942 -1.574 129 HB2 PHE 22 1HB PHE 22 -1.223 -3.834 1.177 130 HB3 PHE 22 2HB PHE 22 0.047 -5.012 0.861 131 HD1 PHE 22 HD2 PHE 22 -1.143 -1.638 -0.139 132 HD2 PHE 22 HD1 PHE 22 2.155 -4.309 0.195 133 HE1 PHE 22 HE2 PHE 22 0.392 0.188 -0.739 134 HE2 PHE 22 HE1 PHE 22 3.696 -2.486 -0.403 135 HZ PHE 22 HZ PHE 22 2.815 -0.234 -0.872 136 H ASN 23 H ASN 23 -0.254 -6.881 0.092 137 HA ASN 23 HA ASN 23 -2.722 -8.452 -0.005 138 HB2 ASN 23 1HB ASN 23 -0.603 -9.289 -1.093 139 HB3 ASN 23 2HB ASN 23 0.082 -9.448 0.521 140 HD21 ASN 23 1HD2 ASN 23 -0.187 -11.310 1.523 141 HD22 ASN 23 2HD2 ASN 23 -1.337 -12.529 1.102 142 H THR 24 H THR 24 -0.066 -7.663 2.215 143 HA THR 24 HA THR 24 -1.797 -8.494 4.452 144 HB THR 24 HB THR 24 0.260 -8.832 5.772 145 HG1 THR 24 HG1 THR 24 2.207 -9.000 4.214 146 HG21 THR 24 3HG2 THR 24 0.387 -10.372 3.181 147 HG22 THR 24 1HG2 THR 24 -0.795 -10.684 4.451 148 HG23 THR 24 2HG2 THR 24 0.925 -10.905 4.774 149 H LYS 25 H LYS 25 -1.951 -7.169 6.259 150 HA LYS 25 HA LYS 25 -1.865 -4.399 5.812 151 HB2 LYS 25 1HB LYS 25 -3.199 -5.833 7.555 152 HB3 LYS 25 2HB LYS 25 -1.805 -5.535 8.584 153 HG2 LYS 25 1HG LYS 25 -2.138 -3.161 8.441 154 HG3 LYS 25 2HG LYS 25 -3.436 -3.376 7.264 155 HD2 LYS 25 1HD LYS 25 -4.769 -4.551 8.940 156 HD3 LYS 25 2HD LYS 25 -3.467 -4.364 10.117 157 HE2 LYS 25 1HE LYS 25 -4.898 -2.622 10.656 158 HE3 LYS 25 2HE LYS 25 -3.705 -1.837 9.624 159 HZ1 LYS 25 3HZ LYS 25 -6.392 -2.780 8.780 160 HZ2 LYS 25 1HZ LYS 25 -5.241 -2.080 7.757 161 HZ3 LYS 25 2HZ LYS 25 -5.926 -1.170 9.007 162 H SER 26 H SER 26 0.196 -6.417 7.910 163 HA SER 26 HA SER 26 1.911 -4.628 8.961 164 HB2 SER 26 1HB SER 26 1.958 -7.234 9.010 165 HB3 SER 26 2HB SER 26 3.080 -7.070 7.659 166 HG SER 26 HG SER 26 4.373 -7.027 9.398 167 H ASN 27 H ASN 27 2.395 -6.096 5.746 168 HA ASN 27 HA ASN 27 4.633 -4.641 4.994 169 HB2 ASN 27 1HB ASN 27 2.433 -5.989 3.473 170 HB3 ASN 27 2HB ASN 27 3.601 -5.002 2.599 171 HD21 ASN 27 1HD2 ASN 27 4.541 -6.679 1.515 172 HD22 ASN 27 2HD2 ASN 27 5.498 -7.891 2.290 173 H LEU 28 H LEU 28 1.203 -3.860 4.520 174 HA LEU 28 HA LEU 28 1.522 -1.513 3.051 175 HB2 LEU 28 1HB LEU 28 -0.639 -2.400 3.174 176 HB3 LEU 28 2HB LEU 28 -0.603 -2.475 4.934 177 HG LEU 28 HG LEU 28 -0.703 0.012 4.981 178 HD11 LEU 28 1HD1 LEU 28 0.021 -0.138 2.352 179 HD12 LEU 28 2HD1 LEU 28 -0.651 1.286 3.145 180 HD13 LEU 28 3HD1 LEU 28 -1.707 0.199 2.244 181 HD21 LEU 28 3HD2 LEU 28 -2.961 -0.032 4.999 182 HD22 LEU 28 1HD2 LEU 28 -2.710 -1.767 4.803 183 HD23 LEU 28 2HD2 LEU 28 -3.069 -0.764 3.397 184 H MET 29 H MET 29 1.134 -1.895 6.574 185 HA MET 29 HA MET 29 1.263 0.722 7.369 186 HB2 MET 29 1HB MET 29 2.354 -1.773 8.654 187 HB3 MET 29 2HB MET 29 2.453 -0.206 9.446 188 HG2 MET 29 1HG MET 29 -0.166 -1.243 8.451 189 HG3 MET 29 2HG MET 29 0.489 -1.778 9.997 190 HE1 MET 29 3HE MET 29 0.314 0.024 12.338 191 HE2 MET 29 1HE MET 29 -1.382 0.442 12.095 192 HE3 MET 29 2HE MET 29 -0.792 -1.154 11.631 193 H VAL 30 H VAL 30 4.100 -1.443 7.222 194 HA VAL 30 HA VAL 30 6.032 0.525 7.629 195 HB VAL 30 HB VAL 30 6.298 -2.039 6.053 196 HG11 VAL 30 1HG1 VAL 30 8.091 0.050 6.173 197 HG12 VAL 30 2HG1 VAL 30 8.661 -1.049 7.430 198 HG13 VAL 30 3HG1 VAL 30 8.473 -1.624 5.773 199 HG21 VAL 30 3HG2 VAL 30 6.372 -1.386 8.955 200 HG22 VAL 30 1HG2 VAL 30 5.724 -2.804 8.131 201 HG23 VAL 30 2HG2 VAL 30 7.466 -2.629 8.347 202 H HIS 31 H HIS 31 4.503 -0.598 4.659 203 HA HIS 31 HA HIS 31 6.165 0.686 2.811 204 HB2 HIS 31 1HB HIS 31 4.733 -0.805 1.791 205 HB3 HIS 31 2HB HIS 31 3.355 -0.320 2.773 206 HD1 HIS 31 HD1 HIS 31 5.375 0.851 -0.199 207 HD2 HIS 31 HD2 HIS 31 1.701 1.535 1.616 208 HE1 HIS 31 HE1 HIS 31 4.104 2.327 -1.790 209 H GLN 32 H GLN 32 3.565 1.894 4.801 210 HA GLN 32 HA GLN 32 3.339 4.396 3.394 211 HB2 GLN 32 1HB GLN 32 2.262 3.532 6.083 212 HB3 GLN 32 2HB GLN 32 1.854 5.038 5.270 213 HG2 GLN 32 1HG GLN 32 1.095 3.517 3.330 214 HG3 GLN 32 2HG GLN 32 1.098 2.240 4.545 215 HE21 GLN 32 1HE2 GLN 32 -0.621 2.030 5.816 216 HE22 GLN 32 2HE2 GLN 32 -1.926 3.155 5.928 217 H ARG 33 H ARG 33 5.406 3.107 5.769 218 HA ARG 33 HA ARG 33 6.047 5.588 7.070 219 HB2 ARG 33 1HB ARG 33 7.101 2.791 7.170 220 HB3 ARG 33 2HB ARG 33 8.082 4.096 7.824 221 HG2 ARG 33 1HG ARG 33 5.889 4.712 9.103 222 HG3 ARG 33 2HG ARG 33 5.468 3.030 8.773 223 HD2 ARG 33 1HD ARG 33 7.189 2.206 10.070 224 HD3 ARG 33 2HD ARG 33 8.150 3.676 9.911 225 HE ARG 33 HE ARG 33 5.706 4.062 11.366 226 HH11 ARG 33 1HH1 ARG 33 9.035 3.067 11.591 227 HH12 ARG 33 2HH1 ARG 33 9.167 3.437 13.278 228 HH21 ARG 33 1HH2 ARG 33 5.868 4.554 13.587 229 HH22 ARG 33 2HH2 ARG 33 7.365 4.282 14.413 230 H THR 34 H THR 34 7.492 3.580 4.546 231 HA THR 34 HA THR 34 9.895 4.998 4.248 232 HB THR 34 HB THR 34 9.480 2.769 3.248 233 HG1 THR 34 HG1 THR 34 10.391 3.440 1.091 234 HG21 THR 34 3HG2 THR 34 7.691 2.411 1.972 235 HG22 THR 34 1HG2 THR 34 8.322 3.541 0.775 236 HG23 THR 34 2HG2 THR 34 7.268 4.120 2.066 237 H HIS 35 H HIS 35 6.668 5.634 3.098 238 HA HIS 35 HA HIS 35 7.018 7.295 0.965 239 HB2 HIS 35 1HB HIS 35 5.059 7.294 3.224 240 HB3 HIS 35 2HB HIS 35 5.043 8.641 2.089 241 HD1 HIS 35 HD1 HIS 35 5.635 6.961 -0.492 242 HD2 HIS 35 HD2 HIS 35 2.769 6.045 2.373 243 HE1 HIS 35 HE1 HIS 35 3.941 5.524 -1.671 244 H THR 36 H THR 36 7.180 8.260 4.387 245 HA THR 36 HA THR 36 8.118 10.908 3.665 246 HB THR 36 HB THR 36 6.555 10.429 5.618 247 HG1 THR 36 HG1 THR 36 8.870 11.806 6.476 248 HG21 THR 36 3HG2 THR 36 7.318 9.485 7.573 249 HG22 THR 36 1HG2 THR 36 9.004 9.871 7.229 250 HG23 THR 36 2HG2 THR 36 8.215 8.537 6.387 251 H GLY 37 H GLY 37 10.177 11.616 3.731 252 HA2 GLY 37 1HA GLY 37 12.407 11.627 4.568 253 HA3 GLY 37 2HA GLY 37 12.208 9.944 5.033 254 H GLU 38 H GLU 38 13.995 9.147 3.992 255 HA GLU 38 HA GLU 38 14.450 9.729 1.196 256 HB2 GLU 38 1HB GLU 38 15.854 7.800 3.055 257 HB3 GLU 38 2HB GLU 38 16.385 8.220 1.432 258 HG2 GLU 38 1HG GLU 38 16.495 10.618 2.243 259 HG3 GLU 38 2HG GLU 38 16.308 9.966 3.870 260 H SER 39 H SER 39 13.081 8.820 -0.206 261 HA SER 39 HA SER 39 12.204 6.058 0.231 262 HB2 SER 39 1HB SER 39 11.158 8.333 -1.428 263 HB3 SER 39 2HB SER 39 10.690 6.674 -1.800 264 HG SER 39 HG SER 39 9.619 8.235 -0.007 265 H GLY 40 H GLY 40 14.217 5.098 -0.365 266 HA2 GLY 40 1HA GLY 40 15.782 4.240 -1.824 267 HA3 GLY 40 2HA GLY 40 14.391 4.053 -2.882 268 HA PRO 41 HA PRO 41 17.426 6.798 -5.031 269 HB2 PRO 41 1HB PRO 41 17.145 5.595 -7.448 270 HB3 PRO 41 2HB PRO 41 18.274 5.021 -6.215 271 HG2 PRO 41 1HG PRO 41 15.543 4.006 -6.902 272 HG3 PRO 41 2HG PRO 41 17.019 3.091 -6.545 273 HD2 PRO 41 1HD PRO 41 15.060 3.467 -4.714 274 HD3 PRO 41 2HD PRO 41 16.773 3.340 -4.267 275 H SER 42 H SER 42 14.435 5.496 -6.484 276 HA SER 42 HA SER 42 13.919 8.004 -7.830 277 HB2 SER 42 1HB SER 42 12.054 6.883 -8.853 278 HB3 SER 42 2HB SER 42 13.412 5.758 -8.849 279 HG SER 42 HG SER 42 11.406 4.823 -8.145 280 H SER 43 H SER 43 12.757 9.627 -7.045 281 HA SER 43 HA SER 43 11.639 9.524 -4.432 282 HB2 SER 43 1HB SER 43 12.601 11.547 -5.835 283 HB3 SER 43 2HB SER 43 10.921 11.709 -6.346 284 HG SER 43 HG SER 43 10.719 12.759 -4.536 285 H GLY 44 H GLY 44 9.858 8.369 -4.036 286 HA2 GLY 44 1HA GLY 44 7.390 8.623 -4.152 287 HA3 GLY 44 2HA GLY 44 7.583 8.682 -5.897 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.195 0.284 -26.176 2 HA2 GLY 1 1HA GLY 1 -1.823 2.878 -27.101 3 HA3 GLY 1 2HA GLY 1 -3.532 2.520 -27.298 4 H SER 2 H SER 2 -4.778 3.101 -25.660 5 HA SER 2 HA SER 2 -3.685 2.984 -22.935 6 HB2 SER 2 1HB SER 2 -3.784 5.353 -24.083 7 HB3 SER 2 2HB SER 2 -5.499 5.245 -23.686 8 HG SER 2 HG SER 2 -4.437 4.558 -21.499 9 H SER 3 H SER 3 -5.188 2.584 -21.297 10 HA SER 3 HA SER 3 -7.993 2.373 -21.831 11 HB2 SER 3 1HB SER 3 -7.029 0.290 -22.904 12 HB3 SER 3 2HB SER 3 -6.547 -0.226 -21.288 13 HG SER 3 HG SER 3 -9.122 0.068 -22.372 14 H GLY 4 H GLY 4 -8.695 3.275 -20.006 15 HA2 GLY 4 1HA GLY 4 -7.465 3.541 -17.594 16 HA3 GLY 4 2HA GLY 4 -9.211 3.430 -17.763 17 H SER 5 H SER 5 -7.507 2.484 -15.590 18 HA SER 5 HA SER 5 -7.114 -0.287 -15.668 19 HB2 SER 5 1HB SER 5 -7.547 1.659 -13.411 20 HB3 SER 5 2HB SER 5 -7.343 -0.066 -13.105 21 HG SER 5 HG SER 5 -5.297 0.036 -13.762 22 H SER 6 H SER 6 -8.362 -2.027 -15.060 23 HA SER 6 HA SER 6 -11.088 -1.617 -14.156 24 HB2 SER 6 1HB SER 6 -10.925 -1.552 -16.774 25 HB3 SER 6 2HB SER 6 -10.762 -3.300 -16.616 26 HG SER 6 HG SER 6 -12.862 -1.825 -15.415 27 H GLY 7 H GLY 7 -11.692 -3.196 -12.806 28 HA2 GLY 7 1HA GLY 7 -10.942 -5.921 -13.105 29 HA3 GLY 7 2HA GLY 7 -9.946 -5.143 -11.885 30 H THR 8 H THR 8 -11.324 -7.149 -10.944 31 HA THR 8 HA THR 8 -13.744 -6.000 -9.718 32 HB THR 8 HB THR 8 -14.354 -8.391 -9.200 33 HG1 THR 8 HG1 THR 8 -13.170 -9.803 -10.891 34 HG21 THR 8 3HG2 THR 8 -15.146 -6.995 -11.210 35 HG22 THR 8 1HG2 THR 8 -15.379 -8.741 -11.277 36 HG23 THR 8 2HG2 THR 8 -14.049 -7.995 -12.162 37 H GLY 9 H GLY 9 -11.176 -8.369 -8.958 38 HA2 GLY 9 1HA GLY 9 -11.463 -8.472 -6.227 39 HA3 GLY 9 2HA GLY 9 -9.922 -8.651 -7.051 40 H GLU 10 H GLU 10 -10.705 -7.352 -4.466 41 HA GLU 10 HA GLU 10 -9.104 -4.967 -4.832 42 HB2 GLU 10 1HB GLU 10 -11.967 -4.847 -3.886 43 HB3 GLU 10 2HB GLU 10 -10.804 -3.565 -3.582 44 HG2 GLU 10 1HG GLU 10 -10.462 -3.452 -6.079 45 HG3 GLU 10 2HG GLU 10 -11.868 -4.505 -6.226 46 H LYS 11 H LYS 11 -7.624 -5.122 -3.296 47 HA LYS 11 HA LYS 11 -7.881 -6.764 -1.012 48 HB2 LYS 11 1HB LYS 11 -5.880 -4.759 -1.966 49 HB3 LYS 11 2HB LYS 11 -5.791 -5.316 -0.300 50 HG2 LYS 11 1HG LYS 11 -5.185 -7.437 -0.892 51 HG3 LYS 11 2HG LYS 11 -5.992 -7.349 -2.460 52 HD2 LYS 11 1HD LYS 11 -3.670 -5.555 -1.956 53 HD3 LYS 11 2HD LYS 11 -3.360 -7.266 -2.256 54 HE2 LYS 11 1HE LYS 11 -4.653 -7.106 -4.347 55 HE3 LYS 11 2HE LYS 11 -4.892 -5.385 -4.050 56 HZ1 LYS 11 3HZ LYS 11 -2.318 -6.771 -4.557 57 HZ2 LYS 11 1HZ LYS 11 -2.435 -5.156 -4.066 58 HZ3 LYS 11 2HZ LYS 11 -3.084 -5.637 -5.552 59 HA PRO 12 HA PRO 12 -9.975 -4.133 1.827 60 HB2 PRO 12 1HB PRO 12 -9.087 -5.208 4.157 61 HB3 PRO 12 2HB PRO 12 -10.272 -6.010 3.119 62 HG2 PRO 12 1HG PRO 12 -7.324 -6.481 3.343 63 HG3 PRO 12 2HG PRO 12 -8.640 -7.664 3.224 64 HD2 PRO 12 1HD PRO 12 -7.108 -6.971 1.102 65 HD3 PRO 12 2HD PRO 12 -8.816 -7.425 0.938 66 H TYR 13 H TYR 13 -6.633 -4.151 1.407 67 HA TYR 13 HA TYR 13 -6.306 -1.883 3.261 68 HB2 TYR 13 1HB TYR 13 -4.106 -3.685 2.241 69 HB3 TYR 13 2HB TYR 13 -3.984 -2.460 3.498 70 HD1 TYR 13 HD2 TYR 13 -5.244 -2.828 5.666 71 HD2 TYR 13 HD1 TYR 13 -4.723 -5.895 2.763 72 HE1 TYR 13 HE2 TYR 13 -5.757 -4.522 7.373 73 HE2 TYR 13 HE1 TYR 13 -5.236 -7.598 4.462 74 HH TYR 13 HH TYR 13 -5.046 -7.249 7.532 75 H GLU 14 H GLU 14 -5.886 0.032 2.383 76 HA GLU 14 HA GLU 14 -4.525 0.191 -0.194 77 HB2 GLU 14 1HB GLU 14 -7.330 1.048 0.340 78 HB3 GLU 14 2HB GLU 14 -6.343 2.057 -0.708 79 HG2 GLU 14 1HG GLU 14 -7.502 0.602 -2.132 80 HG3 GLU 14 2HG GLU 14 -5.858 -0.028 -2.046 81 H CYS 15 H CYS 15 -2.996 1.695 -0.127 82 HA CYS 15 HA CYS 15 -2.539 3.301 2.133 83 HB2 CYS 15 1HB CYS 15 -0.933 2.493 0.213 84 HB3 CYS 15 2HB CYS 15 -1.383 4.023 -0.533 85 H ASN 16 H ASN 16 -3.125 5.322 2.667 86 HA ASN 16 HA ASN 16 -5.082 6.654 0.987 87 HB2 ASN 16 1HB ASN 16 -4.069 7.202 3.781 88 HB3 ASN 16 2HB ASN 16 -5.244 8.226 2.961 89 HD21 ASN 16 1HD2 ASN 16 -7.022 6.731 1.863 90 HD22 ASN 16 2HD2 ASN 16 -7.761 5.625 2.966 91 H GLU 17 H GLU 17 -2.101 6.539 0.407 92 HA GLU 17 HA GLU 17 -1.736 9.439 0.048 93 HB2 GLU 17 1HB GLU 17 0.258 7.357 0.897 94 HB3 GLU 17 2HB GLU 17 0.781 8.839 0.108 95 HG2 GLU 17 1HG GLU 17 -0.699 9.961 1.967 96 HG3 GLU 17 2HG GLU 17 -0.402 8.438 2.803 97 H CYS 18 H CYS 18 -0.570 6.277 -1.118 98 HA CYS 18 HA CYS 18 -0.321 7.432 -3.807 99 HB2 CYS 18 1HB CYS 18 1.090 5.486 -4.321 100 HB3 CYS 18 2HB CYS 18 1.705 6.373 -2.930 101 H GLN 19 H GLN 19 -2.384 5.568 -1.952 102 HA GLN 19 HA GLN 19 -4.229 4.322 -2.418 103 HB2 GLN 19 1HB GLN 19 -3.791 5.633 -5.094 104 HB3 GLN 19 2HB GLN 19 -5.132 4.533 -4.804 105 HG2 GLN 19 1HG GLN 19 -5.723 6.925 -4.584 106 HG3 GLN 19 2HG GLN 19 -6.045 5.973 -3.136 107 HE21 GLN 19 1HE2 GLN 19 -5.475 6.903 -1.317 108 HE22 GLN 19 2HE2 GLN 19 -4.211 8.062 -1.111 109 H LYS 20 H LYS 20 -1.817 2.967 -2.382 110 HA LYS 20 HA LYS 20 -2.034 1.047 -4.599 111 HB2 LYS 20 1HB LYS 20 0.183 2.256 -3.962 112 HB3 LYS 20 2HB LYS 20 0.236 1.103 -2.635 113 HG2 LYS 20 1HG LYS 20 0.306 -0.742 -4.146 114 HG3 LYS 20 2HG LYS 20 0.002 0.312 -5.529 115 HD2 LYS 20 1HD LYS 20 2.143 1.436 -5.138 116 HD3 LYS 20 2HD LYS 20 2.445 0.380 -3.756 117 HE2 LYS 20 1HE LYS 20 1.841 -0.879 -6.380 118 HE3 LYS 20 2HE LYS 20 3.426 -0.140 -6.161 119 HZ1 LYS 20 3HZ LYS 20 2.285 -2.503 -4.885 120 HZ2 LYS 20 1HZ LYS 20 3.299 -1.534 -3.938 121 HZ3 LYS 20 2HZ LYS 20 3.874 -2.202 -5.381 122 H ALA 21 H ALA 21 -2.909 -0.875 -4.220 123 HA ALA 21 HA ALA 21 -3.754 -1.618 -1.585 124 HB1 ALA 21 3HB ALA 21 -5.279 -2.286 -3.176 125 HB2 ALA 21 1HB ALA 21 -4.031 -2.805 -4.309 126 HB3 ALA 21 2HB ALA 21 -4.396 -3.785 -2.889 127 H PHE 22 H PHE 22 -3.144 -3.474 -0.410 128 HA PHE 22 HA PHE 22 -0.596 -4.707 -1.200 129 HB2 PHE 22 1HB PHE 22 -1.293 -3.537 1.496 130 HB3 PHE 22 2HB PHE 22 0.054 -4.642 1.245 131 HD1 PHE 22 HD2 PHE 22 -1.322 -1.398 0.057 132 HD2 PHE 22 HD1 PHE 22 2.131 -3.814 0.653 133 HE1 PHE 22 HE2 PHE 22 0.111 0.501 -0.570 134 HE2 PHE 22 HE1 PHE 22 3.570 -1.919 0.027 135 HZ PHE 22 HZ PHE 22 2.560 0.242 -0.587 136 H ASN 23 H ASN 23 -0.195 -6.793 -0.267 137 HA ASN 23 HA ASN 23 -2.415 -8.493 -0.284 138 HB2 ASN 23 1HB ASN 23 -0.075 -9.197 -0.760 139 HB3 ASN 23 2HB ASN 23 0.289 -9.043 0.956 140 HD21 ASN 23 1HD2 ASN 23 0.594 -11.050 1.635 141 HD22 ASN 23 2HD2 ASN 23 -0.509 -12.362 1.417 142 H THR 24 H THR 24 -0.433 -7.403 2.466 143 HA THR 24 HA THR 24 -2.758 -7.848 4.210 144 HB THR 24 HB THR 24 -1.326 -8.717 5.986 145 HG1 THR 24 HG1 THR 24 0.890 -9.372 5.157 146 HG21 THR 24 3HG2 THR 24 -0.379 -10.715 4.308 147 HG22 THR 24 1HG2 THR 24 -1.771 -10.057 3.450 148 HG23 THR 24 2HG2 THR 24 -1.957 -10.668 5.094 149 H LYS 25 H LYS 25 -2.542 -6.701 6.320 150 HA LYS 25 HA LYS 25 -2.011 -3.974 5.920 151 HB2 LYS 25 1HB LYS 25 -3.566 -5.062 7.635 152 HB3 LYS 25 2HB LYS 25 -2.131 -5.306 8.621 153 HG2 LYS 25 1HG LYS 25 -1.743 -2.812 8.433 154 HG3 LYS 25 2HG LYS 25 -3.372 -2.711 7.761 155 HD2 LYS 25 1HD LYS 25 -4.140 -3.956 9.844 156 HD3 LYS 25 2HD LYS 25 -2.537 -3.621 10.504 157 HE2 LYS 25 1HE LYS 25 -2.924 -1.363 10.656 158 HE3 LYS 25 2HE LYS 25 -4.112 -1.369 9.354 159 HZ1 LYS 25 3HZ LYS 25 -5.711 -2.370 10.805 160 HZ2 LYS 25 1HZ LYS 25 -5.086 -0.999 11.573 161 HZ3 LYS 25 2HZ LYS 25 -4.571 -2.540 12.043 162 H SER 26 H SER 26 -0.259 -6.333 7.942 163 HA SER 26 HA SER 26 1.768 -4.870 8.939 164 HB2 SER 26 1HB SER 26 1.591 -7.272 9.325 165 HB3 SER 26 2HB SER 26 2.045 -7.597 7.652 166 HG SER 26 HG SER 26 3.995 -6.211 8.370 167 H ASN 27 H ASN 27 1.543 -6.025 5.607 168 HA ASN 27 HA ASN 27 4.095 -5.101 4.792 169 HB2 ASN 27 1HB ASN 27 1.605 -5.683 3.173 170 HB3 ASN 27 2HB ASN 27 3.199 -5.386 2.485 171 HD21 ASN 27 1HD2 ASN 27 2.357 -7.612 1.657 172 HD22 ASN 27 2HD2 ASN 27 2.958 -8.976 2.531 173 H LEU 28 H LEU 28 0.844 -3.702 4.591 174 HA LEU 28 HA LEU 28 1.543 -1.386 3.162 175 HB2 LEU 28 1HB LEU 28 -0.739 -1.925 3.277 176 HB3 LEU 28 2HB LEU 28 -0.706 -2.049 5.035 177 HG LEU 28 HG LEU 28 -0.334 0.440 5.097 178 HD11 LEU 28 1HD1 LEU 28 -1.327 0.452 2.271 179 HD12 LEU 28 2HD1 LEU 28 0.398 0.439 2.632 180 HD13 LEU 28 3HD1 LEU 28 -0.612 1.765 3.207 181 HD21 LEU 28 3HD2 LEU 28 -2.513 -0.588 5.536 182 HD22 LEU 28 1HD2 LEU 28 -2.883 -0.535 3.812 183 HD23 LEU 28 2HD2 LEU 28 -2.681 0.966 4.716 184 H MET 29 H MET 29 1.138 -1.889 6.666 185 HA MET 29 HA MET 29 1.668 0.617 7.613 186 HB2 MET 29 1HB MET 29 2.702 -1.973 8.782 187 HB3 MET 29 2HB MET 29 2.541 -0.450 9.647 188 HG2 MET 29 1HG MET 29 0.200 -1.817 8.365 189 HG3 MET 29 2HG MET 29 0.732 -2.188 10.003 190 HE1 MET 29 3HE MET 29 1.346 0.232 11.622 191 HE2 MET 29 1HE MET 29 -0.264 0.765 12.107 192 HE3 MET 29 2HE MET 29 0.104 -0.957 12.020 193 H VAL 30 H VAL 30 4.118 -1.886 6.940 194 HA VAL 30 HA VAL 30 6.363 -0.315 7.520 195 HB VAL 30 HB VAL 30 6.138 -2.611 5.569 196 HG11 VAL 30 1HG1 VAL 30 8.684 -2.049 6.944 197 HG12 VAL 30 2HG1 VAL 30 8.378 -2.601 5.296 198 HG13 VAL 30 3HG1 VAL 30 8.209 -0.893 5.700 199 HG21 VAL 30 3HG2 VAL 30 6.894 -4.008 7.391 200 HG22 VAL 30 1HG2 VAL 30 7.014 -2.606 8.455 201 HG23 VAL 30 2HG2 VAL 30 5.436 -3.144 7.878 202 H HIS 31 H HIS 31 4.599 -0.811 4.493 203 HA HIS 31 HA HIS 31 6.336 0.564 2.785 204 HB2 HIS 31 1HB HIS 31 4.738 -0.612 1.614 205 HB3 HIS 31 2HB HIS 31 3.441 -0.154 2.714 206 HD1 HIS 31 HD1 HIS 31 5.439 1.195 -0.185 207 HD2 HIS 31 HD2 HIS 31 1.991 2.064 1.963 208 HE1 HIS 31 HE1 HIS 31 4.286 3.020 -1.474 209 H GLN 32 H GLN 32 3.318 1.778 4.259 210 HA GLN 32 HA GLN 32 3.238 4.337 3.505 211 HB2 GLN 32 1HB GLN 32 2.922 3.364 6.349 212 HB3 GLN 32 2HB GLN 32 2.382 4.933 5.766 213 HG2 GLN 32 1HG GLN 32 1.022 3.592 4.047 214 HG3 GLN 32 2HG GLN 32 1.318 2.217 5.109 215 HE21 GLN 32 1HE2 GLN 32 -0.724 4.741 4.436 216 HE22 GLN 32 2HE2 GLN 32 -1.596 4.795 5.927 217 H ARG 33 H ARG 33 5.488 3.056 5.912 218 HA ARG 33 HA ARG 33 6.630 5.341 6.893 219 HB2 ARG 33 1HB ARG 33 8.068 2.798 6.112 220 HB3 ARG 33 2HB ARG 33 8.704 4.033 7.189 221 HG2 ARG 33 1HG ARG 33 6.800 3.613 8.718 222 HG3 ARG 33 2HG ARG 33 6.297 2.290 7.663 223 HD2 ARG 33 1HD ARG 33 7.554 1.344 9.454 224 HD3 ARG 33 2HD ARG 33 8.555 1.272 8.004 225 HE ARG 33 HE ARG 33 9.344 3.579 9.138 226 HH11 ARG 33 1HH1 ARG 33 8.949 0.357 10.396 227 HH12 ARG 33 2HH1 ARG 33 10.202 0.525 11.580 228 HH21 ARG 33 1HH2 ARG 33 10.996 3.813 10.693 229 HH22 ARG 33 2HH2 ARG 33 11.366 2.491 11.749 230 H THR 34 H THR 34 7.571 3.637 3.914 231 HA THR 34 HA THR 34 9.686 5.055 3.028 232 HB THR 34 HB THR 34 9.017 4.625 0.746 233 HG1 THR 34 HG1 THR 34 6.442 3.926 1.741 234 HG21 THR 34 3HG2 THR 34 9.496 2.713 2.496 235 HG22 THR 34 1HG2 THR 34 8.992 2.329 0.850 236 HG23 THR 34 2HG2 THR 34 7.815 2.293 2.163 237 H HIS 35 H HIS 35 6.313 6.022 2.372 238 HA HIS 35 HA HIS 35 6.603 8.330 1.026 239 HB2 HIS 35 1HB HIS 35 4.726 7.647 3.272 240 HB3 HIS 35 2HB HIS 35 4.644 9.215 2.474 241 HD1 HIS 35 HD1 HIS 35 4.696 8.735 -0.384 242 HD2 HIS 35 HD2 HIS 35 2.892 6.010 2.181 243 HE1 HIS 35 HE1 HIS 35 3.099 7.422 -1.815 244 H THR 36 H THR 36 6.408 8.377 4.589 245 HA THR 36 HA THR 36 7.359 11.010 4.849 246 HB THR 36 HB THR 36 6.124 10.009 6.660 247 HG1 THR 36 HG1 THR 36 7.560 10.548 8.370 248 HG21 THR 36 3HG2 THR 36 8.390 8.026 6.744 249 HG22 THR 36 1HG2 THR 36 6.674 7.704 6.499 250 HG23 THR 36 2HG2 THR 36 7.255 8.241 8.076 251 H GLY 37 H GLY 37 9.360 11.871 5.086 252 HA2 GLY 37 1HA GLY 37 11.668 11.881 5.512 253 HA3 GLY 37 2HA GLY 37 11.657 10.124 5.495 254 H GLU 38 H GLU 38 12.248 9.070 3.681 255 HA GLU 38 HA GLU 38 13.114 10.723 1.430 256 HB2 GLU 38 1HB GLU 38 14.726 9.145 2.453 257 HB3 GLU 38 2HB GLU 38 13.672 7.809 2.011 258 HG2 GLU 38 1HG GLU 38 15.496 8.003 0.442 259 HG3 GLU 38 2HG GLU 38 13.964 8.361 -0.352 260 H SER 39 H SER 39 11.178 11.111 0.365 261 HA SER 39 HA SER 39 9.241 9.170 -0.245 262 HB2 SER 39 1HB SER 39 9.174 11.788 -0.422 263 HB3 SER 39 2HB SER 39 9.730 11.499 -2.070 264 HG SER 39 HG SER 39 7.551 11.462 -2.203 265 H GLY 40 H GLY 40 9.792 7.331 -1.256 266 HA2 GLY 40 1HA GLY 40 11.819 7.193 -3.267 267 HA3 GLY 40 2HA GLY 40 10.722 5.900 -2.805 268 HA PRO 41 HA PRO 41 9.524 8.180 -6.882 269 HB2 PRO 41 1HB PRO 41 10.989 6.817 -8.717 270 HB3 PRO 41 2HB PRO 41 11.551 8.310 -7.956 271 HG2 PRO 41 1HG PRO 41 12.233 5.471 -7.291 272 HG3 PRO 41 2HG PRO 41 13.300 6.884 -7.393 273 HD2 PRO 41 1HD PRO 41 12.393 5.910 -5.035 274 HD3 PRO 41 2HD PRO 41 12.711 7.637 -5.295 275 H SER 42 H SER 42 10.489 4.761 -6.580 276 HA SER 42 HA SER 42 8.821 3.538 -8.334 277 HB2 SER 42 1HB SER 42 9.260 2.543 -5.510 278 HB3 SER 42 2HB SER 42 8.889 1.569 -6.933 279 HG SER 42 HG SER 42 11.279 2.456 -6.047 280 H SER 43 H SER 43 7.912 3.973 -4.910 281 HA SER 43 HA SER 43 5.176 3.404 -5.363 282 HB2 SER 43 1HB SER 43 4.841 4.201 -3.054 283 HB3 SER 43 2HB SER 43 6.221 3.108 -3.162 284 HG SER 43 HG SER 43 7.385 5.283 -3.491 285 H GLY 44 H GLY 44 3.411 4.729 -5.601 286 HA2 GLY 44 1HA GLY 44 3.119 7.403 -5.196 287 HA3 GLY 44 2HA GLY 44 3.924 7.318 -6.755 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.197 13.460 -20.252 2 HA2 GLY 1 1HA GLY 1 -9.268 12.346 -20.477 3 HA3 GLY 1 2HA GLY 1 -8.554 11.319 -21.712 4 H SER 2 H SER 2 -10.130 10.406 -19.536 5 HA SER 2 HA SER 2 -8.384 9.332 -17.519 6 HB2 SER 2 1HB SER 2 -11.304 9.138 -18.139 7 HB3 SER 2 2HB SER 2 -10.582 7.936 -17.069 8 HG SER 2 HG SER 2 -11.408 10.289 -16.383 9 H SER 3 H SER 3 -7.352 7.437 -17.518 10 HA SER 3 HA SER 3 -8.204 5.293 -19.296 11 HB2 SER 3 1HB SER 3 -6.481 6.830 -20.464 12 HB3 SER 3 2HB SER 3 -5.311 6.126 -19.348 13 HG SER 3 HG SER 3 -5.781 5.105 -21.551 14 H GLY 4 H GLY 4 -6.833 3.289 -18.923 15 HA2 GLY 4 1HA GLY 4 -5.106 2.680 -16.986 16 HA3 GLY 4 2HA GLY 4 -6.566 2.943 -16.044 17 H SER 5 H SER 5 -5.864 0.599 -15.564 18 HA SER 5 HA SER 5 -6.578 -1.339 -17.578 19 HB2 SER 5 1HB SER 5 -5.916 -1.709 -14.646 20 HB3 SER 5 2HB SER 5 -6.079 -3.006 -15.830 21 HG SER 5 HG SER 5 -3.900 -1.765 -15.259 22 H SER 6 H SER 6 -8.616 -1.800 -18.038 23 HA SER 6 HA SER 6 -10.764 -1.159 -16.241 24 HB2 SER 6 1HB SER 6 -10.540 -2.214 -19.023 25 HB3 SER 6 2HB SER 6 -12.047 -2.497 -18.151 26 HG SER 6 HG SER 6 -12.537 -0.473 -18.401 27 H GLY 7 H GLY 7 -10.318 -2.486 -14.428 28 HA2 GLY 7 1HA GLY 7 -11.475 -5.132 -14.663 29 HA3 GLY 7 2HA GLY 7 -9.779 -5.114 -14.203 30 H THR 8 H THR 8 -12.479 -5.756 -12.840 31 HA THR 8 HA THR 8 -12.759 -3.914 -10.702 32 HB THR 8 HB THR 8 -14.585 -5.418 -11.333 33 HG1 THR 8 HG1 THR 8 -15.245 -5.580 -9.294 34 HG21 THR 8 3HG2 THR 8 -14.347 -7.626 -11.575 35 HG22 THR 8 1HG2 THR 8 -13.624 -7.791 -9.976 36 HG23 THR 8 2HG2 THR 8 -12.613 -7.382 -11.362 37 H GLY 9 H GLY 9 -11.673 -3.720 -8.843 38 HA2 GLY 9 1HA GLY 9 -10.177 -5.986 -7.777 39 HA3 GLY 9 2HA GLY 9 -9.233 -4.578 -8.243 40 H GLU 10 H GLU 10 -10.232 -6.026 -5.624 41 HA GLU 10 HA GLU 10 -10.460 -3.531 -4.129 42 HB2 GLU 10 1HB GLU 10 -12.399 -4.175 -2.911 43 HB3 GLU 10 2HB GLU 10 -12.782 -4.383 -4.614 44 HG2 GLU 10 1HG GLU 10 -13.659 -6.262 -3.514 45 HG3 GLU 10 2HG GLU 10 -12.197 -6.816 -4.328 46 H LYS 11 H LYS 11 -9.464 -3.587 -2.180 47 HA LYS 11 HA LYS 11 -8.711 -6.161 -1.023 48 HB2 LYS 11 1HB LYS 11 -6.757 -4.022 -1.867 49 HB3 LYS 11 2HB LYS 11 -6.355 -5.267 -0.692 50 HG2 LYS 11 1HG LYS 11 -7.322 -5.886 -3.469 51 HG3 LYS 11 2HG LYS 11 -5.617 -5.704 -3.052 52 HD2 LYS 11 1HD LYS 11 -7.435 -7.619 -1.612 53 HD3 LYS 11 2HD LYS 11 -6.551 -8.071 -3.071 54 HE2 LYS 11 1HE LYS 11 -4.450 -7.357 -1.905 55 HE3 LYS 11 2HE LYS 11 -5.405 -7.165 -0.435 56 HZ1 LYS 11 3HZ LYS 11 -5.379 -9.714 -1.929 57 HZ2 LYS 11 1HZ LYS 11 -5.815 -9.438 -0.317 58 HZ3 LYS 11 2HZ LYS 11 -4.190 -9.358 -0.779 59 HA PRO 12 HA PRO 12 -9.695 -4.075 2.727 60 HB2 PRO 12 1HB PRO 12 -8.373 -5.677 4.474 61 HB3 PRO 12 2HB PRO 12 -9.869 -6.164 3.668 62 HG2 PRO 12 1HG PRO 12 -7.037 -6.852 2.983 63 HG3 PRO 12 2HG PRO 12 -8.469 -7.898 3.006 64 HD2 PRO 12 1HD PRO 12 -7.459 -6.861 0.717 65 HD3 PRO 12 2HD PRO 12 -9.194 -7.164 0.944 66 H TYR 13 H TYR 13 -6.544 -4.308 1.477 67 HA TYR 13 HA TYR 13 -5.590 -2.326 3.437 68 HB2 TYR 13 1HB TYR 13 -3.706 -4.169 2.002 69 HB3 TYR 13 2HB TYR 13 -3.461 -3.283 3.503 70 HD1 TYR 13 HD2 TYR 13 -4.918 -4.016 5.523 71 HD2 TYR 13 HD1 TYR 13 -4.285 -6.420 2.070 72 HE1 TYR 13 HE2 TYR 13 -5.539 -6.018 6.809 73 HE2 TYR 13 HE1 TYR 13 -4.905 -8.429 3.347 74 HH TYR 13 HH TYR 13 -6.549 -8.629 5.774 75 H GLU 14 H GLU 14 -5.319 -0.410 2.526 76 HA GLU 14 HA GLU 14 -4.029 -0.205 -0.073 77 HB2 GLU 14 1HB GLU 14 -6.837 0.685 0.490 78 HB3 GLU 14 2HB GLU 14 -5.854 1.561 -0.675 79 HG2 GLU 14 1HG GLU 14 -5.742 -0.242 -2.131 80 HG3 GLU 14 2HG GLU 14 -6.176 -1.404 -0.879 81 H CYS 15 H CYS 15 -2.755 1.562 -0.250 82 HA CYS 15 HA CYS 15 -2.161 3.067 2.073 83 HB2 CYS 15 1HB CYS 15 -0.722 2.475 -0.072 84 HB3 CYS 15 2HB CYS 15 -1.326 4.033 -0.627 85 H ASN 16 H ASN 16 -1.889 5.602 1.687 86 HA ASN 16 HA ASN 16 -4.560 6.586 0.929 87 HB2 ASN 16 1HB ASN 16 -4.285 6.915 3.265 88 HB3 ASN 16 2HB ASN 16 -2.636 7.502 3.064 89 HD21 ASN 16 1HD2 ASN 16 -5.942 8.262 2.032 90 HD22 ASN 16 2HD2 ASN 16 -5.773 9.976 2.172 91 H GLU 17 H GLU 17 -1.122 7.485 1.026 92 HA GLU 17 HA GLU 17 -1.449 9.794 -0.610 93 HB2 GLU 17 1HB GLU 17 0.963 8.189 0.222 94 HB3 GLU 17 2HB GLU 17 1.085 9.593 -0.828 95 HG2 GLU 17 1HG GLU 17 -0.330 9.837 1.783 96 HG3 GLU 17 2HG GLU 17 1.433 9.826 1.741 97 H CYS 18 H CYS 18 -0.047 6.580 -1.254 98 HA CYS 18 HA CYS 18 -0.092 7.117 -4.116 99 HB2 CYS 18 1HB CYS 18 1.212 5.129 -4.366 100 HB3 CYS 18 2HB CYS 18 1.864 6.003 -2.984 101 H GLN 19 H GLN 19 -1.974 5.541 -1.728 102 HA GLN 19 HA GLN 19 -3.868 4.282 -1.800 103 HB2 GLN 19 1HB GLN 19 -4.164 5.277 -4.633 104 HB3 GLN 19 2HB GLN 19 -5.440 4.756 -3.542 105 HG2 GLN 19 1HG GLN 19 -4.473 6.733 -2.069 106 HG3 GLN 19 2HG GLN 19 -3.960 7.319 -3.651 107 HE21 GLN 19 1HE2 GLN 19 -6.537 6.972 -1.472 108 HE22 GLN 19 2HE2 GLN 19 -7.790 7.606 -2.478 109 H LYS 20 H LYS 20 -1.639 2.802 -2.221 110 HA LYS 20 HA LYS 20 -2.256 1.037 -4.486 111 HB2 LYS 20 1HB LYS 20 0.110 2.054 -3.958 112 HB3 LYS 20 2HB LYS 20 0.194 0.740 -2.792 113 HG2 LYS 20 1HG LYS 20 -0.510 -0.723 -4.844 114 HG3 LYS 20 2HG LYS 20 0.136 0.637 -5.767 115 HD2 LYS 20 1HD LYS 20 2.027 -0.636 -5.548 116 HD3 LYS 20 2HD LYS 20 2.161 0.364 -4.100 117 HE2 LYS 20 1HE LYS 20 2.528 -1.721 -3.216 118 HE3 LYS 20 2HE LYS 20 0.783 -1.580 -3.008 119 HZ1 LYS 20 3HZ LYS 20 1.130 -3.685 -3.927 120 HZ2 LYS 20 1HZ LYS 20 2.263 -3.124 -5.051 121 HZ3 LYS 20 2HZ LYS 20 0.626 -2.741 -5.237 122 H ALA 21 H ALA 21 -2.837 -1.058 -4.203 123 HA ALA 21 HA ALA 21 -3.686 -1.846 -1.554 124 HB1 ALA 21 3HB ALA 21 -4.905 -2.225 -3.823 125 HB2 ALA 21 1HB ALA 21 -3.860 -3.642 -3.934 126 HB3 ALA 21 2HB ALA 21 -4.969 -3.469 -2.574 127 H PHE 22 H PHE 22 -3.073 -3.798 -0.510 128 HA PHE 22 HA PHE 22 -0.541 -4.976 -1.422 129 HB2 PHE 22 1HB PHE 22 -1.174 -3.970 1.355 130 HB3 PHE 22 2HB PHE 22 0.175 -5.043 0.999 131 HD1 PHE 22 HD2 PHE 22 -1.259 -1.841 -0.278 132 HD2 PHE 22 HD1 PHE 22 2.226 -4.066 0.733 133 HE1 PHE 22 HE2 PHE 22 0.139 0.107 -0.827 134 HE2 PHE 22 HE1 PHE 22 3.630 -2.121 0.186 135 HZ PHE 22 HZ PHE 22 2.587 -0.031 -0.596 136 H ASN 23 H ASN 23 -0.043 -7.038 -0.217 137 HA ASN 23 HA ASN 23 -2.362 -8.731 -0.321 138 HB2 ASN 23 1HB ASN 23 -0.574 -10.470 0.463 139 HB3 ASN 23 2HB ASN 23 -0.485 -9.807 -1.166 140 HD21 ASN 23 1HD2 ASN 23 1.636 -9.850 -1.560 141 HD22 ASN 23 2HD2 ASN 23 2.836 -9.051 -0.607 142 H THR 24 H THR 24 -0.122 -7.648 2.204 143 HA THR 24 HA THR 24 -2.078 -8.564 4.210 144 HB THR 24 HB THR 24 -0.153 -8.828 5.785 145 HG1 THR 24 HG1 THR 24 1.892 -8.646 5.048 146 HG21 THR 24 3HG2 THR 24 -0.005 -10.532 3.296 147 HG22 THR 24 1HG2 THR 24 -1.141 -10.760 4.624 148 HG23 THR 24 2HG2 THR 24 0.588 -10.973 4.896 149 H LYS 25 H LYS 25 -1.900 -7.365 6.306 150 HA LYS 25 HA LYS 25 -2.028 -4.552 5.798 151 HB2 LYS 25 1HB LYS 25 -3.585 -5.471 7.365 152 HB3 LYS 25 2HB LYS 25 -2.295 -6.193 8.316 153 HG2 LYS 25 1HG LYS 25 -2.738 -4.381 9.607 154 HG3 LYS 25 2HG LYS 25 -1.531 -3.672 8.533 155 HD2 LYS 25 1HD LYS 25 -4.382 -3.563 7.697 156 HD3 LYS 25 2HD LYS 25 -3.858 -2.492 8.999 157 HE2 LYS 25 1HE LYS 25 -2.584 -2.685 6.271 158 HE3 LYS 25 2HE LYS 25 -3.710 -1.428 6.782 159 HZ1 LYS 25 3HZ LYS 25 -2.108 -0.346 7.864 160 HZ2 LYS 25 1HZ LYS 25 -1.014 -1.306 7.001 161 HZ3 LYS 25 2HZ LYS 25 -1.481 -1.753 8.564 162 H SER 26 H SER 26 0.114 -6.636 7.719 163 HA SER 26 HA SER 26 1.756 -4.698 8.817 164 HB2 SER 26 1HB SER 26 3.494 -6.477 8.925 165 HB3 SER 26 2HB SER 26 1.916 -7.029 9.486 166 HG SER 26 HG SER 26 1.811 -7.618 7.029 167 H ASN 27 H ASN 27 1.602 -5.874 5.557 168 HA ASN 27 HA ASN 27 4.163 -4.877 4.747 169 HB2 ASN 27 1HB ASN 27 2.616 -6.718 3.660 170 HB3 ASN 27 2HB ASN 27 1.944 -5.339 2.794 171 HD21 ASN 27 1HD2 ASN 27 3.932 -3.789 2.140 172 HD22 ASN 27 2HD2 ASN 27 5.132 -4.610 1.208 173 H LEU 28 H LEU 28 0.894 -3.633 4.836 174 HA LEU 28 HA LEU 28 1.460 -1.330 3.217 175 HB2 LEU 28 1HB LEU 28 -0.777 -2.155 3.244 176 HB3 LEU 28 2HB LEU 28 -0.848 -2.067 5.002 177 HG LEU 28 HG LEU 28 -0.774 0.395 4.854 178 HD11 LEU 28 1HD1 LEU 28 -1.363 1.277 2.491 179 HD12 LEU 28 2HD1 LEU 28 -0.606 -0.215 1.933 180 HD13 LEU 28 3HD1 LEU 28 0.321 0.938 2.892 181 HD21 LEU 28 3HD2 LEU 28 -3.045 0.690 4.036 182 HD22 LEU 28 1HD2 LEU 28 -2.913 -0.793 4.982 183 HD23 LEU 28 2HD2 LEU 28 -2.971 -0.873 3.221 184 H MET 29 H MET 29 0.902 -1.871 6.692 185 HA MET 29 HA MET 29 1.177 0.703 7.621 186 HB2 MET 29 1HB MET 29 1.800 -0.245 9.755 187 HB3 MET 29 2HB MET 29 0.575 -1.263 9.011 188 HG2 MET 29 1HG MET 29 2.290 -2.838 8.308 189 HG3 MET 29 2HG MET 29 3.534 -1.810 9.017 190 HE1 MET 29 3HE MET 29 4.459 -2.880 11.656 191 HE2 MET 29 1HE MET 29 3.908 -4.542 11.436 192 HE3 MET 29 2HE MET 29 4.490 -3.616 10.052 193 H VAL 30 H VAL 30 3.754 -1.656 6.983 194 HA VAL 30 HA VAL 30 5.869 0.080 7.774 195 HB VAL 30 HB VAL 30 5.952 -2.381 6.023 196 HG11 VAL 30 1HG1 VAL 30 8.320 -1.499 7.557 197 HG12 VAL 30 2HG1 VAL 30 8.214 -2.275 5.976 198 HG13 VAL 30 3HG1 VAL 30 7.899 -0.547 6.134 199 HG21 VAL 30 3HG2 VAL 30 5.623 -3.534 7.893 200 HG22 VAL 30 1HG2 VAL 30 7.096 -2.829 8.561 201 HG23 VAL 30 2HG2 VAL 30 5.540 -2.042 8.831 202 H HIS 31 H HIS 31 4.334 -0.696 4.696 203 HA HIS 31 HA HIS 31 6.160 0.588 2.997 204 HB2 HIS 31 1HB HIS 31 4.686 -0.731 1.818 205 HB3 HIS 31 2HB HIS 31 3.301 -0.241 2.790 206 HD1 HIS 31 HD1 HIS 31 5.277 0.711 -0.224 207 HD2 HIS 31 HD2 HIS 31 2.009 2.105 1.930 208 HE1 HIS 31 HE1 HIS 31 4.200 2.451 -1.687 209 H GLN 32 H GLN 32 3.082 1.798 4.331 210 HA GLN 32 HA GLN 32 2.933 4.290 3.322 211 HB2 GLN 32 1HB GLN 32 2.473 3.449 6.184 212 HB3 GLN 32 2HB GLN 32 2.006 5.022 5.551 213 HG2 GLN 32 1HG GLN 32 0.726 3.647 3.769 214 HG3 GLN 32 2HG GLN 32 0.889 2.326 4.926 215 HE21 GLN 32 1HE2 GLN 32 -1.136 4.645 3.909 216 HE22 GLN 32 2HE2 GLN 32 -2.052 4.912 5.349 217 H ARG 33 H ARG 33 5.051 3.310 5.989 218 HA ARG 33 HA ARG 33 6.082 5.688 6.822 219 HB2 ARG 33 1HB ARG 33 7.562 3.099 6.338 220 HB3 ARG 33 2HB ARG 33 8.228 4.458 7.233 221 HG2 ARG 33 1HG ARG 33 6.370 4.268 8.844 222 HG3 ARG 33 2HG ARG 33 5.791 2.849 7.968 223 HD2 ARG 33 1HD ARG 33 7.098 2.176 9.900 224 HD3 ARG 33 2HD ARG 33 7.923 1.720 8.410 225 HE ARG 33 HE ARG 33 8.913 4.200 9.140 226 HH11 ARG 33 1HH1 ARG 33 8.818 0.978 10.455 227 HH12 ARG 33 2HH1 ARG 33 10.309 1.147 11.321 228 HH21 ARG 33 1HH2 ARG 33 10.877 4.435 10.276 229 HH22 ARG 33 2HH2 ARG 33 11.479 3.114 11.219 230 H THR 34 H THR 34 7.361 3.772 4.100 231 HA THR 34 HA THR 34 9.426 5.209 3.201 232 HB THR 34 HB THR 34 8.837 4.643 0.891 233 HG1 THR 34 HG1 THR 34 6.683 4.978 0.708 234 HG21 THR 34 3HG2 THR 34 9.465 2.901 2.793 235 HG22 THR 34 1HG2 THR 34 9.096 2.384 1.149 236 HG23 THR 34 2HG2 THR 34 7.863 2.276 2.405 237 H HIS 35 H HIS 35 6.039 6.065 2.520 238 HA HIS 35 HA HIS 35 6.449 8.323 0.982 239 HB2 HIS 35 1HB HIS 35 4.273 7.587 2.926 240 HB3 HIS 35 2HB HIS 35 4.231 9.110 2.042 241 HD1 HIS 35 HD1 HIS 35 5.025 8.288 -0.738 242 HD2 HIS 35 HD2 HIS 35 2.493 6.011 1.641 243 HE1 HIS 35 HE1 HIS 35 3.700 6.868 -2.335 244 H THR 36 H THR 36 5.905 8.262 4.509 245 HA THR 36 HA THR 36 6.664 11.011 4.804 246 HB THR 36 HB THR 36 6.497 10.572 7.241 247 HG1 THR 36 HG1 THR 36 6.277 8.569 7.989 248 HG21 THR 36 3HG2 THR 36 4.017 9.465 6.871 249 HG22 THR 36 1HG2 THR 36 4.366 10.142 5.281 250 HG23 THR 36 2HG2 THR 36 4.401 11.179 6.708 251 H GLY 37 H GLY 37 8.637 11.826 5.097 252 HA2 GLY 37 1HA GLY 37 10.700 10.427 6.504 253 HA3 GLY 37 2HA GLY 37 10.988 10.443 4.770 254 H GLU 38 H GLU 38 10.470 12.808 3.854 255 HA GLU 38 HA GLU 38 12.257 14.567 5.365 256 HB2 GLU 38 1HB GLU 38 11.321 14.637 2.493 257 HB3 GLU 38 2HB GLU 38 12.336 15.873 3.223 258 HG2 GLU 38 1HG GLU 38 13.181 13.013 3.307 259 HG3 GLU 38 2HG GLU 38 13.409 13.962 1.839 260 H SER 39 H SER 39 10.885 15.434 6.902 261 HA SER 39 HA SER 39 8.761 17.184 5.848 262 HB2 SER 39 1HB SER 39 8.778 15.408 8.272 263 HB3 SER 39 2HB SER 39 7.749 16.838 8.221 264 HG SER 39 HG SER 39 6.990 15.932 6.143 265 H GLY 40 H GLY 40 10.347 18.871 5.729 266 HA2 GLY 40 1HA GLY 40 10.709 20.979 6.822 267 HA3 GLY 40 2HA GLY 40 10.799 20.124 8.355 268 HA PRO 41 HA PRO 41 15.129 21.083 7.116 269 HB2 PRO 41 1HB PRO 41 15.942 21.694 9.633 270 HB3 PRO 41 2HB PRO 41 15.171 22.869 8.561 271 HG2 PRO 41 1HG PRO 41 13.974 21.265 10.786 272 HG3 PRO 41 2HG PRO 41 13.728 22.974 10.381 273 HD2 PRO 41 1HD PRO 41 11.951 21.047 9.704 274 HD3 PRO 41 2HD PRO 41 12.220 22.490 8.707 275 H SER 42 H SER 42 13.548 18.756 8.955 276 HA SER 42 HA SER 42 15.699 17.440 10.215 277 HB2 SER 42 1HB SER 42 13.184 17.097 10.592 278 HB3 SER 42 2HB SER 42 13.233 16.047 9.176 279 HG SER 42 HG SER 42 15.079 15.024 10.420 280 H SER 43 H SER 43 17.063 15.838 9.559 281 HA SER 43 HA SER 43 17.376 15.523 6.687 282 HB2 SER 43 1HB SER 43 19.273 15.960 8.401 283 HB3 SER 43 2HB SER 43 19.139 14.239 8.761 284 HG SER 43 HG SER 43 19.620 13.790 6.610 285 H GLY 44 H GLY 44 16.403 13.925 5.643 286 HA2 GLY 44 1HA GLY 44 16.102 11.334 7.028 287 HA3 GLY 44 2HA GLY 44 14.791 12.025 6.085 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -14.791 -15.765 -23.412 2 HA2 GLY 1 1HA GLY 1 -15.033 -12.984 -24.306 3 HA3 GLY 1 2HA GLY 1 -16.352 -14.133 -24.139 4 H SER 2 H SER 2 -13.823 -12.931 -21.931 5 HA SER 2 HA SER 2 -15.500 -12.966 -19.666 6 HB2 SER 2 1HB SER 2 -12.814 -11.826 -20.299 7 HB3 SER 2 2HB SER 2 -13.631 -11.271 -18.838 8 HG SER 2 HG SER 2 -12.769 -13.868 -19.514 9 H SER 3 H SER 3 -17.289 -11.779 -19.518 10 HA SER 3 HA SER 3 -17.652 -9.292 -20.850 11 HB2 SER 3 1HB SER 3 -19.237 -10.930 -18.920 12 HB3 SER 3 2HB SER 3 -19.686 -9.240 -19.147 13 HG SER 3 HG SER 3 -19.515 -9.911 -21.520 14 H GLY 4 H GLY 4 -17.300 -10.131 -17.402 15 HA2 GLY 4 1HA GLY 4 -17.240 -7.438 -16.508 16 HA3 GLY 4 2HA GLY 4 -16.723 -8.843 -15.587 17 H SER 5 H SER 5 -15.702 -5.985 -16.816 18 HA SER 5 HA SER 5 -13.340 -6.194 -18.068 19 HB2 SER 5 1HB SER 5 -13.736 -4.495 -15.594 20 HB3 SER 5 2HB SER 5 -12.568 -4.209 -16.884 21 HG SER 5 HG SER 5 -15.321 -3.795 -16.843 22 H SER 6 H SER 6 -11.536 -7.319 -17.823 23 HA SER 6 HA SER 6 -11.006 -8.647 -15.288 24 HB2 SER 6 1HB SER 6 -9.260 -9.865 -16.573 25 HB3 SER 6 2HB SER 6 -10.858 -10.001 -17.305 26 HG SER 6 HG SER 6 -9.049 -7.993 -18.111 27 H GLY 7 H GLY 7 -9.401 -8.142 -13.913 28 HA2 GLY 7 1HA GLY 7 -7.040 -7.333 -13.750 29 HA3 GLY 7 2HA GLY 7 -7.566 -5.975 -14.733 30 H THR 8 H THR 8 -8.990 -7.576 -11.889 31 HA THR 8 HA THR 8 -8.899 -4.975 -10.506 32 HB THR 8 HB THR 8 -11.022 -5.880 -9.307 33 HG1 THR 8 HG1 THR 8 -11.547 -7.146 -11.756 34 HG21 THR 8 3HG2 THR 8 -12.233 -5.193 -11.697 35 HG22 THR 8 1HG2 THR 8 -10.653 -4.419 -11.795 36 HG23 THR 8 2HG2 THR 8 -11.720 -4.076 -10.433 37 H GLY 9 H GLY 9 -9.347 -5.327 -8.056 38 HA2 GLY 9 1HA GLY 9 -8.207 -7.827 -7.061 39 HA3 GLY 9 2HA GLY 9 -7.308 -6.354 -6.726 40 H GLU 10 H GLU 10 -9.269 -4.557 -6.137 41 HA GLU 10 HA GLU 10 -10.440 -3.797 -4.335 42 HB2 GLU 10 1HB GLU 10 -11.750 -6.514 -4.540 43 HB3 GLU 10 2HB GLU 10 -12.408 -5.112 -3.709 44 HG2 GLU 10 1HG GLU 10 -12.111 -4.011 -6.092 45 HG3 GLU 10 2HG GLU 10 -12.232 -5.691 -6.610 46 H LYS 11 H LYS 11 -7.968 -4.776 -3.631 47 HA LYS 11 HA LYS 11 -7.944 -6.702 -1.594 48 HB2 LYS 11 1HB LYS 11 -6.122 -4.340 -2.077 49 HB3 LYS 11 2HB LYS 11 -5.798 -5.609 -0.902 50 HG2 LYS 11 1HG LYS 11 -6.062 -7.198 -2.942 51 HG3 LYS 11 2HG LYS 11 -5.763 -5.735 -3.883 52 HD2 LYS 11 1HD LYS 11 -3.748 -5.460 -2.224 53 HD3 LYS 11 2HD LYS 11 -3.955 -7.200 -2.015 54 HE2 LYS 11 1HE LYS 11 -3.842 -6.054 -4.769 55 HE3 LYS 11 2HE LYS 11 -2.347 -6.257 -3.856 56 HZ1 LYS 11 3HZ LYS 11 -3.903 -8.601 -3.666 57 HZ2 LYS 11 1HZ LYS 11 -2.357 -8.406 -4.324 58 HZ3 LYS 11 2HZ LYS 11 -3.724 -8.186 -5.296 59 HA PRO 12 HA PRO 12 -9.839 -4.662 1.814 60 HB2 PRO 12 1HB PRO 12 -8.672 -6.029 3.849 61 HB3 PRO 12 2HB PRO 12 -9.923 -6.729 2.814 62 HG2 PRO 12 1HG PRO 12 -6.951 -7.060 2.680 63 HG3 PRO 12 2HG PRO 12 -8.222 -8.283 2.501 64 HD2 PRO 12 1HD PRO 12 -6.946 -7.186 0.379 65 HD3 PRO 12 2HD PRO 12 -8.642 -7.707 0.309 66 H TYR 13 H TYR 13 -6.511 -4.511 1.156 67 HA TYR 13 HA TYR 13 -6.171 -2.397 3.181 68 HB2 TYR 13 1HB TYR 13 -3.983 -4.181 2.099 69 HB3 TYR 13 2HB TYR 13 -3.835 -2.985 3.382 70 HD1 TYR 13 HD2 TYR 13 -5.107 -3.381 5.544 71 HD2 TYR 13 HD1 TYR 13 -4.611 -6.394 2.581 72 HE1 TYR 13 HE2 TYR 13 -5.636 -5.104 7.217 73 HE2 TYR 13 HE1 TYR 13 -5.140 -8.126 4.245 74 HH TYR 13 HH TYR 13 -5.888 -7.269 7.613 75 H GLU 14 H GLU 14 -5.586 -0.446 2.456 76 HA GLU 14 HA GLU 14 -4.265 -0.170 -0.125 77 HB2 GLU 14 1HB GLU 14 -7.049 0.721 0.461 78 HB3 GLU 14 2HB GLU 14 -6.038 1.767 -0.525 79 HG2 GLU 14 1HG GLU 14 -6.983 0.527 -2.166 80 HG3 GLU 14 2HG GLU 14 -5.585 -0.491 -1.820 81 H CYS 15 H CYS 15 -2.914 1.549 -0.219 82 HA CYS 15 HA CYS 15 -2.176 2.857 2.163 83 HB2 CYS 15 1HB CYS 15 -0.854 2.419 -0.072 84 HB3 CYS 15 2HB CYS 15 -1.476 4.006 -0.510 85 H ASN 16 H ASN 16 -1.869 5.395 2.039 86 HA ASN 16 HA ASN 16 -4.531 6.523 1.466 87 HB2 ASN 16 1HB ASN 16 -2.558 7.549 3.513 88 HB3 ASN 16 2HB ASN 16 -4.246 8.013 3.323 89 HD21 ASN 16 1HD2 ASN 16 -2.720 6.854 5.593 90 HD22 ASN 16 2HD2 ASN 16 -3.613 5.452 6.063 91 H GLU 17 H GLU 17 -1.066 7.001 1.230 92 HA GLU 17 HA GLU 17 -1.335 9.609 0.008 93 HB2 GLU 17 1HB GLU 17 1.027 7.809 0.536 94 HB3 GLU 17 2HB GLU 17 1.171 9.327 -0.338 95 HG2 GLU 17 1HG GLU 17 0.202 8.991 2.492 96 HG3 GLU 17 2HG GLU 17 1.777 9.605 1.990 97 H CYS 18 H CYS 18 -0.203 6.396 -1.032 98 HA CYS 18 HA CYS 18 -0.397 7.259 -3.824 99 HB2 CYS 18 1HB CYS 18 0.865 5.259 -4.366 100 HB3 CYS 18 2HB CYS 18 1.679 6.129 -3.070 101 H GLN 19 H GLN 19 -2.219 5.674 -1.497 102 HA GLN 19 HA GLN 19 -4.093 4.382 -1.539 103 HB2 GLN 19 1HB GLN 19 -4.324 5.645 -4.274 104 HB3 GLN 19 2HB GLN 19 -5.616 4.759 -3.474 105 HG2 GLN 19 1HG GLN 19 -6.183 6.905 -2.955 106 HG3 GLN 19 2HG GLN 19 -5.203 6.479 -1.553 107 HE21 GLN 19 1HE2 GLN 19 -5.172 8.907 -1.502 108 HE22 GLN 19 2HE2 GLN 19 -3.881 9.691 -2.341 109 H LYS 20 H LYS 20 -1.730 3.029 -2.208 110 HA LYS 20 HA LYS 20 -2.388 1.285 -4.449 111 HB2 LYS 20 1HB LYS 20 -0.060 2.125 -4.097 112 HB3 LYS 20 2HB LYS 20 0.008 1.191 -2.608 113 HG2 LYS 20 1HG LYS 20 -0.485 -0.848 -4.018 114 HG3 LYS 20 2HG LYS 20 -0.185 0.174 -5.426 115 HD2 LYS 20 1HD LYS 20 2.039 0.752 -4.252 116 HD3 LYS 20 2HD LYS 20 1.720 -0.682 -3.274 117 HE2 LYS 20 1HE LYS 20 1.782 -0.666 -6.288 118 HE3 LYS 20 2HE LYS 20 3.162 -1.086 -5.275 119 HZ1 LYS 20 3HZ LYS 20 1.258 -2.675 -4.271 120 HZ2 LYS 20 1HZ LYS 20 2.346 -3.148 -5.477 121 HZ3 LYS 20 2HZ LYS 20 0.793 -2.625 -5.897 122 H ALA 21 H ALA 21 -2.900 -0.863 -4.275 123 HA ALA 21 HA ALA 21 -4.001 -1.711 -1.746 124 HB1 ALA 21 3HB ALA 21 -4.319 -3.866 -3.327 125 HB2 ALA 21 1HB ALA 21 -5.417 -2.485 -3.321 126 HB3 ALA 21 2HB ALA 21 -4.156 -2.606 -4.550 127 H PHE 22 H PHE 22 -3.449 -3.647 -0.645 128 HA PHE 22 HA PHE 22 -0.840 -4.811 -1.300 129 HB2 PHE 22 1HB PHE 22 -1.636 -3.696 1.395 130 HB3 PHE 22 2HB PHE 22 -0.238 -4.734 1.136 131 HD1 PHE 22 HD2 PHE 22 -1.737 -1.545 -0.067 132 HD2 PHE 22 HD1 PHE 22 1.809 -3.780 0.676 133 HE1 PHE 22 HE2 PHE 22 -0.379 0.430 -0.623 134 HE2 PHE 22 HE1 PHE 22 3.172 -1.809 0.122 135 HZ PHE 22 HZ PHE 22 2.079 0.300 -0.530 136 H ASN 23 H ASN 23 -0.414 -6.799 0.060 137 HA ASN 23 HA ASN 23 -2.775 -8.466 -0.031 138 HB2 ASN 23 1HB ASN 23 -1.223 -10.316 0.416 139 HB3 ASN 23 2HB ASN 23 -0.644 -9.311 -0.909 140 HD21 ASN 23 1HD2 ASN 23 0.592 -11.095 1.265 141 HD22 ASN 23 2HD2 ASN 23 1.901 -10.138 1.862 142 H THR 24 H THR 24 -0.414 -7.451 2.421 143 HA THR 24 HA THR 24 -2.366 -8.226 4.490 144 HB THR 24 HB THR 24 -0.502 -8.656 6.020 145 HG1 THR 24 HG1 THR 24 1.339 -7.764 5.490 146 HG21 THR 24 3HG2 THR 24 -1.170 -10.207 3.722 147 HG22 THR 24 1HG2 THR 24 -0.642 -10.762 5.310 148 HG23 THR 24 2HG2 THR 24 0.549 -10.411 4.057 149 H LYS 25 H LYS 25 -2.001 -7.014 6.587 150 HA LYS 25 HA LYS 25 -2.030 -4.197 6.014 151 HB2 LYS 25 1HB LYS 25 -3.466 -5.514 7.728 152 HB3 LYS 25 2HB LYS 25 -2.063 -5.373 8.779 153 HG2 LYS 25 1HG LYS 25 -2.221 -3.032 8.857 154 HG3 LYS 25 2HG LYS 25 -3.331 -2.980 7.485 155 HD2 LYS 25 1HD LYS 25 -5.096 -3.924 8.779 156 HD3 LYS 25 2HD LYS 25 -3.999 -4.302 10.110 157 HE2 LYS 25 1HE LYS 25 -3.733 -2.012 10.657 158 HE3 LYS 25 2HE LYS 25 -4.504 -1.492 9.159 159 HZ1 LYS 25 3HZ LYS 25 -5.692 -2.168 11.661 160 HZ2 LYS 25 1HZ LYS 25 -6.371 -3.065 10.397 161 HZ3 LYS 25 2HZ LYS 25 -6.371 -1.375 10.330 162 H SER 26 H SER 26 -0.063 -6.268 8.150 163 HA SER 26 HA SER 26 1.708 -4.467 9.154 164 HB2 SER 26 1HB SER 26 1.607 -7.035 9.460 165 HB3 SER 26 2HB SER 26 2.712 -7.098 8.087 166 HG SER 26 HG SER 26 3.117 -5.880 10.609 167 H ASN 27 H ASN 27 1.834 -5.965 5.949 168 HA ASN 27 HA ASN 27 4.296 -4.843 5.154 169 HB2 ASN 27 1HB ASN 27 2.001 -6.145 3.778 170 HB3 ASN 27 2HB ASN 27 3.101 -5.193 2.785 171 HD21 ASN 27 1HD2 ASN 27 3.042 -7.687 2.107 172 HD22 ASN 27 2HD2 ASN 27 4.406 -8.575 2.687 173 H LEU 28 H LEU 28 0.944 -3.787 4.634 174 HA LEU 28 HA LEU 28 1.508 -1.526 3.085 175 HB2 LEU 28 1HB LEU 28 -0.718 -2.223 3.120 176 HB3 LEU 28 2HB LEU 28 -0.765 -2.287 4.880 177 HG LEU 28 HG LEU 28 -0.649 0.214 4.891 178 HD11 LEU 28 1HD1 LEU 28 0.036 1.143 2.978 179 HD12 LEU 28 2HD1 LEU 28 -1.629 0.927 2.440 180 HD13 LEU 28 3HD1 LEU 28 -0.405 -0.271 2.022 181 HD21 LEU 28 3HD2 LEU 28 -3.018 0.497 4.105 182 HD22 LEU 28 1HD2 LEU 28 -2.761 -0.812 5.258 183 HD23 LEU 28 2HD2 LEU 28 -2.957 -1.174 3.543 184 H MET 29 H MET 29 0.955 -1.783 6.596 185 HA MET 29 HA MET 29 1.256 0.850 7.317 186 HB2 MET 29 1HB MET 29 2.253 -1.583 8.810 187 HB3 MET 29 2HB MET 29 2.041 0.015 9.512 188 HG2 MET 29 1HG MET 29 -0.383 -0.142 8.871 189 HG3 MET 29 2HG MET 29 -0.083 -1.830 8.464 190 HE1 MET 29 3HE MET 29 -1.120 0.632 10.600 191 HE2 MET 29 1HE MET 29 -1.992 -0.464 11.672 192 HE3 MET 29 2HE MET 29 -0.544 0.363 12.245 193 H VAL 30 H VAL 30 3.858 -1.579 7.114 194 HA VAL 30 HA VAL 30 5.983 0.125 7.725 195 HB VAL 30 HB VAL 30 5.985 -2.322 5.952 196 HG11 VAL 30 1HG1 VAL 30 8.452 -1.738 7.350 197 HG12 VAL 30 2HG1 VAL 30 8.178 -2.084 5.641 198 HG13 VAL 30 3HG1 VAL 30 8.001 -0.437 6.249 199 HG21 VAL 30 3HG2 VAL 30 6.143 -3.605 7.803 200 HG22 VAL 30 1HG2 VAL 30 7.092 -2.406 8.682 201 HG23 VAL 30 2HG2 VAL 30 5.341 -2.234 8.570 202 H HIS 31 H HIS 31 4.473 -0.637 4.620 203 HA HIS 31 HA HIS 31 6.297 0.691 2.958 204 HB2 HIS 31 1HB HIS 31 4.857 -0.641 1.751 205 HB3 HIS 31 2HB HIS 31 3.452 -0.172 2.705 206 HD1 HIS 31 HD1 HIS 31 5.573 0.974 -0.175 207 HD2 HIS 31 HD2 HIS 31 2.034 2.008 1.740 208 HE1 HIS 31 HE1 HIS 31 4.471 2.671 -1.669 209 H GLN 32 H GLN 32 3.148 1.847 4.178 210 HA GLN 32 HA GLN 32 2.948 4.326 3.225 211 HB2 GLN 32 1HB GLN 32 2.615 3.568 6.131 212 HB3 GLN 32 2HB GLN 32 2.009 5.056 5.415 213 HG2 GLN 32 1HG GLN 32 0.842 3.388 3.752 214 HG3 GLN 32 2HG GLN 32 1.050 2.263 5.093 215 HE21 GLN 32 1HE2 GLN 32 -1.442 2.693 4.427 216 HE22 GLN 32 2HE2 GLN 32 -2.245 3.749 5.534 217 H ARG 33 H ARG 33 5.226 3.369 5.749 218 HA ARG 33 HA ARG 33 6.204 5.885 6.436 219 HB2 ARG 33 1HB ARG 33 7.544 3.182 6.399 220 HB3 ARG 33 2HB ARG 33 8.313 4.622 7.052 221 HG2 ARG 33 1HG ARG 33 6.176 4.804 8.503 222 HG3 ARG 33 2HG ARG 33 5.961 3.103 8.086 223 HD2 ARG 33 1HD ARG 33 7.147 3.073 10.106 224 HD3 ARG 33 2HD ARG 33 8.368 2.785 8.867 225 HE ARG 33 HE ARG 33 9.378 4.736 9.481 226 HH11 ARG 33 1HH1 ARG 33 6.096 4.763 10.641 227 HH12 ARG 33 2HH1 ARG 33 6.285 6.237 11.531 228 HH21 ARG 33 1HH2 ARG 33 9.639 6.678 10.649 229 HH22 ARG 33 2HH2 ARG 33 8.300 7.326 11.534 230 H THR 34 H THR 34 7.438 3.601 3.999 231 HA THR 34 HA THR 34 9.627 4.759 3.013 232 HB THR 34 HB THR 34 9.038 4.024 0.758 233 HG1 THR 34 HG1 THR 34 6.457 4.186 1.814 234 HG21 THR 34 3HG2 THR 34 9.527 2.405 2.732 235 HG22 THR 34 1HG2 THR 34 8.920 1.749 1.213 236 HG23 THR 34 2HG2 THR 34 7.824 1.976 2.576 237 H HIS 35 H HIS 35 6.351 5.968 2.480 238 HA HIS 35 HA HIS 35 6.820 7.930 0.600 239 HB2 HIS 35 1HB HIS 35 4.890 7.781 2.903 240 HB3 HIS 35 2HB HIS 35 4.922 9.179 1.833 241 HD1 HIS 35 HD1 HIS 35 5.061 8.052 -0.895 242 HD2 HIS 35 HD2 HIS 35 2.832 6.237 2.104 243 HE1 HIS 35 HE1 HIS 35 3.348 6.648 -2.087 244 H THR 36 H THR 36 6.990 8.274 4.141 245 HA THR 36 HA THR 36 7.743 10.939 4.261 246 HB THR 36 HB THR 36 8.619 10.502 6.470 247 HG1 THR 36 HG1 THR 36 8.788 7.859 5.496 248 HG21 THR 36 3HG2 THR 36 6.724 9.240 7.458 249 HG22 THR 36 1HG2 THR 36 6.234 8.762 5.834 250 HG23 THR 36 2HG2 THR 36 6.207 10.463 6.298 251 H GLY 37 H GLY 37 9.173 11.267 2.468 252 HA2 GLY 37 1HA GLY 37 11.432 11.975 2.134 253 HA3 GLY 37 2HA GLY 37 11.962 10.665 3.179 254 H GLU 38 H GLU 38 13.272 10.975 0.859 255 HA GLU 38 HA GLU 38 12.198 9.593 -1.354 256 HB2 GLU 38 1HB GLU 38 15.080 10.055 -0.567 257 HB3 GLU 38 2HB GLU 38 14.551 9.461 -2.135 258 HG2 GLU 38 1HG GLU 38 13.240 11.575 -2.396 259 HG3 GLU 38 2HG GLU 38 14.020 12.162 -0.928 260 H SER 39 H SER 39 12.523 7.490 -2.092 261 HA SER 39 HA SER 39 12.510 5.473 -0.117 262 HB2 SER 39 1HB SER 39 11.495 5.457 -2.506 263 HB3 SER 39 2HB SER 39 13.096 4.920 -3.016 264 HG SER 39 HG SER 39 12.653 3.355 -1.093 265 H GLY 40 H GLY 40 14.364 5.457 1.107 266 HA2 GLY 40 1HA GLY 40 16.430 3.839 0.653 267 HA3 GLY 40 2HA GLY 40 16.955 5.277 -0.210 268 HA PRO 41 HA PRO 41 16.725 6.280 4.548 269 HB2 PRO 41 1HB PRO 41 16.919 4.100 6.155 270 HB3 PRO 41 2HB PRO 41 15.371 4.769 5.627 271 HG2 PRO 41 1HG PRO 41 16.893 2.431 4.541 272 HG3 PRO 41 2HG PRO 41 15.154 2.587 4.853 273 HD2 PRO 41 1HD PRO 41 16.218 2.841 2.376 274 HD3 PRO 41 2HD PRO 41 14.778 3.741 2.894 275 H SER 42 H SER 42 18.607 3.642 3.211 276 HA SER 42 HA SER 42 20.875 4.117 4.931 277 HB2 SER 42 1HB SER 42 21.964 2.353 3.684 278 HB3 SER 42 2HB SER 42 20.309 1.853 4.030 279 HG SER 42 HG SER 42 21.399 1.829 1.717 280 H SER 43 H SER 43 22.855 5.000 4.334 281 HA SER 43 HA SER 43 22.736 6.764 1.985 282 HB2 SER 43 1HB SER 43 24.490 6.970 4.445 283 HB3 SER 43 2HB SER 43 24.427 8.132 3.120 284 HG SER 43 HG SER 43 22.129 7.432 4.609 285 H GLY 44 H GLY 44 24.769 7.145 0.820 286 HA2 GLY 44 1HA GLY 44 27.128 6.261 0.614 287 HA3 GLY 44 2HA GLY 44 26.382 4.673 0.716 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.688 9.609 -23.258 2 HA2 GLY 1 1HA GLY 1 -1.758 8.261 -22.474 3 HA3 GLY 1 2HA GLY 1 -1.433 9.569 -21.346 4 H SER 2 H SER 2 -4.157 7.456 -22.264 5 HA SER 2 HA SER 2 -5.305 7.574 -19.647 6 HB2 SER 2 1HB SER 2 -5.883 5.876 -22.076 7 HB3 SER 2 2HB SER 2 -6.774 5.702 -20.564 8 HG SER 2 HG SER 2 -6.906 7.678 -22.477 9 H SER 3 H SER 3 -4.591 6.524 -17.927 10 HA SER 3 HA SER 3 -3.808 3.748 -18.103 11 HB2 SER 3 1HB SER 3 -1.823 5.795 -17.083 12 HB3 SER 3 2HB SER 3 -1.600 4.045 -17.103 13 HG SER 3 HG SER 3 -0.784 4.381 -19.006 14 H GLY 4 H GLY 4 -3.769 2.691 -16.075 15 HA2 GLY 4 1HA GLY 4 -3.929 2.681 -13.690 16 HA3 GLY 4 2HA GLY 4 -4.602 4.303 -13.762 17 H SER 5 H SER 5 -5.476 1.540 -12.678 18 HA SER 5 HA SER 5 -8.090 1.384 -14.006 19 HB2 SER 5 1HB SER 5 -6.629 -0.547 -12.196 20 HB3 SER 5 2HB SER 5 -8.303 -0.775 -12.701 21 HG SER 5 HG SER 5 -6.096 -0.493 -14.465 22 H SER 6 H SER 6 -9.943 1.882 -12.977 23 HA SER 6 HA SER 6 -10.111 3.624 -10.910 24 HB2 SER 6 1HB SER 6 -11.992 2.762 -12.410 25 HB3 SER 6 2HB SER 6 -12.168 1.442 -11.254 26 HG SER 6 HG SER 6 -12.748 4.156 -10.970 27 H GLY 7 H GLY 7 -10.299 0.081 -10.600 28 HA2 GLY 7 1HA GLY 7 -9.103 0.236 -7.968 29 HA3 GLY 7 2HA GLY 7 -10.776 -0.301 -7.975 30 H THR 8 H THR 8 -7.500 -1.084 -8.892 31 HA THR 8 HA THR 8 -8.343 -3.788 -9.670 32 HB THR 8 HB THR 8 -6.927 -2.667 -11.307 33 HG1 THR 8 HG1 THR 8 -5.782 -4.448 -11.639 34 HG21 THR 8 3HG2 THR 8 -4.403 -2.675 -10.025 35 HG22 THR 8 1HG2 THR 8 -5.517 -1.789 -8.985 36 HG23 THR 8 2HG2 THR 8 -5.296 -1.295 -10.663 37 H GLY 9 H GLY 9 -7.890 -5.514 -8.438 38 HA2 GLY 9 1HA GLY 9 -6.191 -6.626 -7.015 39 HA3 GLY 9 2HA GLY 9 -6.072 -5.105 -6.142 40 H GLU 10 H GLU 10 -8.714 -4.428 -5.814 41 HA GLU 10 HA GLU 10 -10.424 -4.736 -4.342 42 HB2 GLU 10 1HB GLU 10 -10.192 -7.464 -5.592 43 HB3 GLU 10 2HB GLU 10 -11.417 -7.108 -4.383 44 HG2 GLU 10 1HG GLU 10 -12.361 -5.388 -5.787 45 HG3 GLU 10 2HG GLU 10 -11.081 -5.620 -6.977 46 H LYS 11 H LYS 11 -8.008 -4.676 -3.096 47 HA LYS 11 HA LYS 11 -7.997 -6.899 -1.186 48 HB2 LYS 11 1HB LYS 11 -5.998 -4.702 -1.734 49 HB3 LYS 11 2HB LYS 11 -5.834 -5.861 -0.422 50 HG2 LYS 11 1HG LYS 11 -5.684 -7.684 -1.981 51 HG3 LYS 11 2HG LYS 11 -6.015 -6.601 -3.335 52 HD2 LYS 11 1HD LYS 11 -3.905 -5.332 -2.351 53 HD3 LYS 11 2HD LYS 11 -3.537 -6.941 -1.726 54 HE2 LYS 11 1HE LYS 11 -3.705 -7.855 -3.990 55 HE3 LYS 11 2HE LYS 11 -4.076 -6.248 -4.613 56 HZ1 LYS 11 3HZ LYS 11 -1.528 -7.286 -3.570 57 HZ2 LYS 11 1HZ LYS 11 -1.846 -5.625 -3.504 58 HZ3 LYS 11 2HZ LYS 11 -1.829 -6.425 -4.994 59 HA PRO 12 HA PRO 12 -9.931 -4.528 1.972 60 HB2 PRO 12 1HB PRO 12 -8.899 -5.754 4.163 61 HB3 PRO 12 2HB PRO 12 -10.127 -6.500 3.135 62 HG2 PRO 12 1HG PRO 12 -7.165 -6.930 3.163 63 HG3 PRO 12 2HG PRO 12 -8.468 -8.126 3.028 64 HD2 PRO 12 1HD PRO 12 -7.066 -7.249 0.883 65 HD3 PRO 12 2HD PRO 12 -8.774 -7.723 0.779 66 H TYR 13 H TYR 13 -6.597 -4.489 1.410 67 HA TYR 13 HA TYR 13 -6.230 -2.308 3.357 68 HB2 TYR 13 1HB TYR 13 -4.078 -4.117 2.243 69 HB3 TYR 13 2HB TYR 13 -3.880 -2.886 3.486 70 HD1 TYR 13 HD2 TYR 13 -4.674 -3.272 5.758 71 HD2 TYR 13 HD1 TYR 13 -5.098 -6.256 2.754 72 HE1 TYR 13 HE2 TYR 13 -5.148 -4.946 7.496 73 HE2 TYR 13 HE1 TYR 13 -5.574 -7.938 4.484 74 HH TYR 13 HH TYR 13 -6.359 -7.162 7.635 75 H GLU 14 H GLU 14 -5.492 -0.382 2.636 76 HA GLU 14 HA GLU 14 -4.352 -0.152 -0.029 77 HB2 GLU 14 1HB GLU 14 -7.054 0.839 0.730 78 HB3 GLU 14 2HB GLU 14 -6.064 1.878 -0.285 79 HG2 GLU 14 1HG GLU 14 -7.140 0.715 -1.901 80 HG3 GLU 14 2HG GLU 14 -5.762 -0.357 -1.660 81 H CYS 15 H CYS 15 -3.165 1.740 -0.354 82 HA CYS 15 HA CYS 15 -2.129 2.933 2.028 83 HB2 CYS 15 1HB CYS 15 -1.002 2.454 -0.323 84 HB3 CYS 15 2HB CYS 15 -1.563 4.087 -0.667 85 H ASN 16 H ASN 16 -1.720 5.488 1.753 86 HA ASN 16 HA ASN 16 -4.388 6.688 1.395 87 HB2 ASN 16 1HB ASN 16 -2.234 7.316 3.418 88 HB3 ASN 16 2HB ASN 16 -3.621 8.362 3.132 89 HD21 ASN 16 1HD2 ASN 16 -4.708 8.151 4.990 90 HD22 ASN 16 2HD2 ASN 16 -5.316 6.658 5.611 91 H GLU 17 H GLU 17 -0.902 7.211 1.123 92 HA GLU 17 HA GLU 17 -1.206 9.749 -0.197 93 HB2 GLU 17 1HB GLU 17 1.169 7.948 0.272 94 HB3 GLU 17 2HB GLU 17 1.282 9.465 -0.610 95 HG2 GLU 17 1HG GLU 17 1.965 9.862 1.631 96 HG3 GLU 17 2HG GLU 17 0.395 10.629 1.398 97 H CYS 18 H CYS 18 -0.126 6.509 -1.208 98 HA CYS 18 HA CYS 18 -0.343 7.314 -4.008 99 HB2 CYS 18 1HB CYS 18 0.911 5.387 -4.546 100 HB3 CYS 18 2HB CYS 18 1.639 6.002 -3.066 101 H GLN 19 H GLN 19 -2.105 5.650 -1.604 102 HA GLN 19 HA GLN 19 -4.090 4.541 -1.612 103 HB2 GLN 19 1HB GLN 19 -4.267 5.866 -4.317 104 HB3 GLN 19 2HB GLN 19 -5.583 4.934 -3.616 105 HG2 GLN 19 1HG GLN 19 -4.337 7.363 -2.350 106 HG3 GLN 19 2HG GLN 19 -5.823 7.366 -3.300 107 HE21 GLN 19 1HE2 GLN 19 -7.044 5.087 -2.411 108 HE22 GLN 19 2HE2 GLN 19 -7.452 5.257 -0.741 109 H LYS 20 H LYS 20 -1.878 3.008 -2.200 110 HA LYS 20 HA LYS 20 -2.663 1.273 -4.425 111 HB2 LYS 20 1HB LYS 20 -0.320 1.949 -4.352 112 HB3 LYS 20 2HB LYS 20 -0.164 1.305 -2.723 113 HG2 LYS 20 1HG LYS 20 -0.179 -0.882 -3.438 114 HG3 LYS 20 2HG LYS 20 -1.024 -0.496 -4.939 115 HD2 LYS 20 1HD LYS 20 0.907 0.311 -5.961 116 HD3 LYS 20 2HD LYS 20 1.737 0.549 -4.422 117 HE2 LYS 20 1HE LYS 20 2.689 -1.356 -5.543 118 HE3 LYS 20 2HE LYS 20 1.798 -1.909 -4.126 119 HZ1 LYS 20 3HZ LYS 20 1.200 -2.289 -6.963 120 HZ2 LYS 20 1HZ LYS 20 -0.109 -2.127 -5.904 121 HZ3 LYS 20 2HZ LYS 20 1.022 -3.362 -5.668 122 H ALA 21 H ALA 21 -3.262 -0.839 -4.165 123 HA ALA 21 HA ALA 21 -4.187 -1.591 -1.526 124 HB1 ALA 21 3HB ALA 21 -4.682 -3.718 -3.241 125 HB2 ALA 21 1HB ALA 21 -5.810 -2.440 -2.787 126 HB3 ALA 21 2HB ALA 21 -4.844 -2.284 -4.255 127 H PHE 22 H PHE 22 -3.511 -3.352 -0.337 128 HA PHE 22 HA PHE 22 -1.130 -4.777 -1.309 129 HB2 PHE 22 1HB PHE 22 -1.537 -3.516 1.404 130 HB3 PHE 22 2HB PHE 22 -0.285 -4.710 1.076 131 HD1 PHE 22 HD2 PHE 22 -1.542 -1.402 -0.061 132 HD2 PHE 22 HD1 PHE 22 1.784 -4.036 0.287 133 HE1 PHE 22 HE2 PHE 22 -0.047 0.388 -0.844 134 HE2 PHE 22 HE1 PHE 22 3.285 -2.249 -0.494 135 HZ PHE 22 HZ PHE 22 2.370 -0.034 -1.062 136 H ASN 23 H ASN 23 -0.742 -6.841 -0.240 137 HA ASN 23 HA ASN 23 -3.144 -8.348 0.016 138 HB2 ASN 23 1HB ASN 23 -1.365 -9.550 -0.915 139 HB3 ASN 23 2HB ASN 23 -0.222 -8.984 0.299 140 HD21 ASN 23 1HD2 ASN 23 -3.438 -10.407 0.661 141 HD22 ASN 23 2HD2 ASN 23 -2.923 -11.763 1.601 142 H THR 24 H THR 24 -0.548 -7.554 2.323 143 HA THR 24 HA THR 24 -2.461 -8.073 4.506 144 HB THR 24 HB THR 24 -0.443 -8.520 5.937 145 HG1 THR 24 HG1 THR 24 0.914 -7.528 4.053 146 HG21 THR 24 3HG2 THR 24 -1.698 -10.401 5.196 147 HG22 THR 24 1HG2 THR 24 -0.000 -10.790 4.926 148 HG23 THR 24 2HG2 THR 24 -1.019 -10.299 3.572 149 H LYS 25 H LYS 25 -1.847 -6.872 6.561 150 HA LYS 25 HA LYS 25 -1.694 -4.073 5.942 151 HB2 LYS 25 1HB LYS 25 -3.161 -5.032 7.727 152 HB3 LYS 25 2HB LYS 25 -1.715 -5.402 8.657 153 HG2 LYS 25 1HG LYS 25 -1.199 -3.102 8.929 154 HG3 LYS 25 2HG LYS 25 -2.429 -2.623 7.758 155 HD2 LYS 25 1HD LYS 25 -4.100 -3.745 9.351 156 HD3 LYS 25 2HD LYS 25 -2.795 -3.698 10.539 157 HE2 LYS 25 1HE LYS 25 -2.677 -1.314 10.414 158 HE3 LYS 25 2HE LYS 25 -3.784 -1.277 9.042 159 HZ1 LYS 25 3HZ LYS 25 -5.162 -0.754 10.782 160 HZ2 LYS 25 1HZ LYS 25 -4.366 -1.763 11.882 161 HZ3 LYS 25 2HZ LYS 25 -5.382 -2.429 10.705 162 H SER 26 H SER 26 0.243 -6.193 8.062 163 HA SER 26 HA SER 26 2.228 -4.558 8.857 164 HB2 SER 26 1HB SER 26 1.983 -7.102 9.198 165 HB3 SER 26 2HB SER 26 2.938 -7.258 7.724 166 HG SER 26 HG SER 26 3.704 -6.485 10.255 167 H ASN 27 H ASN 27 1.772 -5.787 5.613 168 HA ASN 27 HA ASN 27 4.313 -4.893 4.633 169 HB2 ASN 27 1HB ASN 27 1.794 -5.783 3.217 170 HB3 ASN 27 2HB ASN 27 3.290 -5.368 2.384 171 HD21 ASN 27 1HD2 ASN 27 2.734 -7.689 1.708 172 HD22 ASN 27 2HD2 ASN 27 3.504 -8.935 2.624 173 H LEU 28 H LEU 28 1.013 -3.640 4.615 174 HA LEU 28 HA LEU 28 1.595 -1.386 2.970 175 HB2 LEU 28 1HB LEU 28 -0.646 -2.049 3.002 176 HB3 LEU 28 2HB LEU 28 -0.684 -2.148 4.761 177 HG LEU 28 HG LEU 28 -0.525 0.344 4.831 178 HD11 LEU 28 1HD1 LEU 28 -0.377 1.629 2.996 179 HD12 LEU 28 2HD1 LEU 28 -1.433 0.582 2.048 180 HD13 LEU 28 3HD1 LEU 28 0.270 0.169 2.249 181 HD21 LEU 28 3HD2 LEU 28 -2.733 -1.315 4.229 182 HD22 LEU 28 1HD2 LEU 28 -2.934 0.182 3.319 183 HD23 LEU 28 2HD2 LEU 28 -2.726 0.236 5.070 184 H MET 29 H MET 29 1.034 -1.738 6.473 185 HA MET 29 HA MET 29 1.351 0.822 7.332 186 HB2 MET 29 1HB MET 29 2.098 -0.049 9.447 187 HB3 MET 29 2HB MET 29 0.904 -1.155 8.782 188 HG2 MET 29 1HG MET 29 2.624 -2.685 8.098 189 HG3 MET 29 2HG MET 29 3.879 -1.548 8.584 190 HE1 MET 29 3HE MET 29 4.481 -4.154 9.583 191 HE2 MET 29 1HE MET 29 5.259 -2.806 10.413 192 HE3 MET 29 2HE MET 29 4.522 -4.108 11.347 193 H VAL 30 H VAL 30 3.940 -1.439 6.482 194 HA VAL 30 HA VAL 30 6.051 0.367 7.156 195 HB VAL 30 HB VAL 30 6.054 -2.147 5.485 196 HG11 VAL 30 1HG1 VAL 30 8.367 -0.476 6.460 197 HG12 VAL 30 2HG1 VAL 30 8.511 -2.085 5.750 198 HG13 VAL 30 3HG1 VAL 30 7.891 -0.746 4.784 199 HG21 VAL 30 3HG2 VAL 30 7.077 -3.169 7.446 200 HG22 VAL 30 1HG2 VAL 30 6.993 -1.631 8.305 201 HG23 VAL 30 2HG2 VAL 30 5.509 -2.472 7.854 202 H HIS 31 H HIS 31 4.271 -0.415 4.232 203 HA HIS 31 HA HIS 31 5.989 0.995 2.449 204 HB2 HIS 31 1HB HIS 31 4.645 -0.650 1.436 205 HB3 HIS 31 2HB HIS 31 3.186 -0.079 2.240 206 HD1 HIS 31 HD1 HIS 31 5.398 0.602 -0.694 207 HD2 HIS 31 HD2 HIS 31 1.889 2.062 0.985 208 HE1 HIS 31 HE1 HIS 31 4.397 2.113 -2.436 209 H GLN 32 H GLN 32 3.552 1.950 4.656 210 HA GLN 32 HA GLN 32 2.892 4.421 3.327 211 HB2 GLN 32 1HB GLN 32 2.268 3.400 6.101 212 HB3 GLN 32 2HB GLN 32 1.664 4.917 5.447 213 HG2 GLN 32 1HG GLN 32 0.600 3.603 3.608 214 HG3 GLN 32 2HG GLN 32 1.060 2.138 4.475 215 HE21 GLN 32 1HE2 GLN 32 -1.578 2.831 3.848 216 HE22 GLN 32 2HE2 GLN 32 -2.432 3.116 5.323 217 H ARG 33 H ARG 33 4.834 3.441 6.125 218 HA ARG 33 HA ARG 33 5.611 6.059 6.872 219 HB2 ARG 33 1HB ARG 33 7.398 4.898 8.170 220 HB3 ARG 33 2HB ARG 33 5.782 4.275 8.473 221 HG2 ARG 33 1HG ARG 33 6.266 2.434 6.865 222 HG3 ARG 33 2HG ARG 33 7.928 3.022 6.778 223 HD2 ARG 33 1HD ARG 33 7.745 2.846 9.409 224 HD3 ARG 33 2HD ARG 33 6.496 1.668 9.007 225 HE ARG 33 HE ARG 33 8.124 0.244 8.204 226 HH11 ARG 33 1HH1 ARG 33 9.494 3.372 8.882 227 HH12 ARG 33 2HH1 ARG 33 11.133 2.833 8.724 228 HH21 ARG 33 1HH2 ARG 33 10.278 -0.478 7.993 229 HH22 ARG 33 2HH2 ARG 33 11.578 0.644 8.217 230 H THR 34 H THR 34 7.190 3.557 4.912 231 HA THR 34 HA THR 34 9.621 4.747 4.429 232 HB THR 34 HB THR 34 9.427 3.626 2.098 233 HG1 THR 34 HG1 THR 34 7.245 2.293 3.310 234 HG21 THR 34 3HG2 THR 34 10.415 1.864 3.068 235 HG22 THR 34 1HG2 THR 34 8.984 1.482 4.025 236 HG23 THR 34 2HG2 THR 34 10.128 2.697 4.595 237 H HIS 35 H HIS 35 6.569 5.280 2.696 238 HA HIS 35 HA HIS 35 7.188 6.804 0.598 239 HB2 HIS 35 1HB HIS 35 5.012 7.029 2.614 240 HB3 HIS 35 2HB HIS 35 5.202 8.363 1.480 241 HD1 HIS 35 HD1 HIS 35 5.856 6.823 -1.081 242 HD2 HIS 35 HD2 HIS 35 2.869 5.714 1.585 243 HE1 HIS 35 HE1 HIS 35 4.245 5.431 -2.418 244 H THR 36 H THR 36 6.870 8.223 3.856 245 HA THR 36 HA THR 36 7.521 10.789 3.500 246 HB THR 36 HB THR 36 8.737 10.784 5.655 247 HG1 THR 36 HG1 THR 36 9.870 8.884 5.625 248 HG21 THR 36 3HG2 THR 36 6.132 10.411 5.295 249 HG22 THR 36 1HG2 THR 36 6.857 10.411 6.902 250 HG23 THR 36 2HG2 THR 36 6.494 8.884 6.098 251 H GLY 37 H GLY 37 9.996 8.232 3.781 252 HA2 GLY 37 1HA GLY 37 11.982 10.112 2.711 253 HA3 GLY 37 2HA GLY 37 12.336 8.593 3.521 254 H GLU 38 H GLU 38 12.277 10.124 0.588 255 HA GLU 38 HA GLU 38 12.075 7.564 -0.859 256 HB2 GLU 38 1HB GLU 38 11.541 8.998 -2.873 257 HB3 GLU 38 2HB GLU 38 10.300 8.936 -1.630 258 HG2 GLU 38 1HG GLU 38 12.317 11.153 -1.820 259 HG3 GLU 38 2HG GLU 38 10.752 11.196 -2.629 260 H SER 39 H SER 39 13.973 6.839 -1.528 261 HA SER 39 HA SER 39 15.784 8.359 -3.056 262 HB2 SER 39 1HB SER 39 17.699 8.412 -1.479 263 HB3 SER 39 2HB SER 39 16.359 9.423 -0.938 264 HG SER 39 HG SER 39 16.604 6.753 -0.068 265 H GLY 40 H GLY 40 16.158 6.753 -4.454 266 HA2 GLY 40 1HA GLY 40 17.641 4.439 -3.543 267 HA3 GLY 40 2HA GLY 40 16.046 4.074 -4.186 268 HA PRO 41 HA PRO 41 19.296 4.290 -7.599 269 HB2 PRO 41 1HB PRO 41 19.158 1.682 -8.341 270 HB3 PRO 41 2HB PRO 41 20.275 2.271 -7.105 271 HG2 PRO 41 1HG PRO 41 17.625 0.919 -6.774 272 HG3 PRO 41 2HG PRO 41 19.136 0.653 -5.884 273 HD2 PRO 41 1HD PRO 41 17.101 2.137 -4.890 274 HD3 PRO 41 2HD PRO 41 18.803 2.483 -4.523 275 H SER 42 H SER 42 17.860 5.504 -8.832 276 HA SER 42 HA SER 42 16.292 3.984 -10.736 277 HB2 SER 42 1HB SER 42 14.677 4.397 -8.919 278 HB3 SER 42 2HB SER 42 14.996 6.127 -9.033 279 HG SER 42 HG SER 42 13.764 4.438 -10.938 280 H SER 43 H SER 43 15.449 5.391 -12.497 281 HA SER 43 HA SER 43 17.493 7.275 -13.263 282 HB2 SER 43 1HB SER 43 16.369 7.329 -15.418 283 HB3 SER 43 2HB SER 43 16.506 5.656 -14.877 284 HG SER 43 HG SER 43 14.245 7.281 -15.107 285 H GLY 44 H GLY 44 13.992 7.400 -12.655 286 HA2 GLY 44 1HA GLY 44 12.684 9.144 -11.909 287 HA3 GLY 44 2HA GLY 44 14.159 10.050 -11.607 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.430 17.916 -14.562 2 HA2 GLY 1 1HA GLY 1 -9.664 18.613 -11.834 3 HA3 GLY 1 2HA GLY 1 -11.267 18.513 -12.547 4 H SER 2 H SER 2 -8.284 16.698 -11.998 5 HA SER 2 HA SER 2 -9.882 14.277 -11.668 6 HB2 SER 2 1HB SER 2 -7.570 14.537 -13.599 7 HB3 SER 2 2HB SER 2 -8.197 12.986 -13.040 8 HG SER 2 HG SER 2 -10.315 14.123 -13.804 9 H SER 3 H SER 3 -9.227 13.100 -9.979 10 HA SER 3 HA SER 3 -6.487 12.982 -9.138 11 HB2 SER 3 1HB SER 3 -7.222 15.176 -8.196 12 HB3 SER 3 2HB SER 3 -8.458 14.323 -7.272 13 HG SER 3 HG SER 3 -6.988 13.830 -5.869 14 H GLY 4 H GLY 4 -6.240 11.620 -7.156 15 HA2 GLY 4 1HA GLY 4 -7.887 9.298 -7.394 16 HA3 GLY 4 2HA GLY 4 -6.584 9.534 -6.239 17 H SER 5 H SER 5 -9.979 10.272 -6.886 18 HA SER 5 HA SER 5 -10.380 10.826 -4.033 19 HB2 SER 5 1HB SER 5 -12.063 11.401 -6.473 20 HB3 SER 5 2HB SER 5 -12.674 11.596 -4.830 21 HG SER 5 HG SER 5 -10.919 13.157 -6.255 22 H SER 6 H SER 6 -11.626 8.833 -6.683 23 HA SER 6 HA SER 6 -13.327 7.326 -4.885 24 HB2 SER 6 1HB SER 6 -13.953 7.891 -7.272 25 HB3 SER 6 2HB SER 6 -12.734 6.726 -7.789 26 HG SER 6 HG SER 6 -13.942 5.223 -6.343 27 H GLY 7 H GLY 7 -11.890 6.324 -3.468 28 HA2 GLY 7 1HA GLY 7 -10.052 4.361 -4.684 29 HA3 GLY 7 2HA GLY 7 -9.840 5.071 -3.091 30 H THR 8 H THR 8 -11.200 2.511 -4.892 31 HA THR 8 HA THR 8 -12.485 1.465 -2.453 32 HB THR 8 HB THR 8 -13.269 0.773 -5.288 33 HG1 THR 8 HG1 THR 8 -14.315 2.606 -5.227 34 HG21 THR 8 3HG2 THR 8 -15.283 -0.151 -4.180 35 HG22 THR 8 1HG2 THR 8 -14.552 0.199 -2.615 36 HG23 THR 8 2HG2 THR 8 -13.800 -0.974 -3.697 37 H GLY 9 H GLY 9 -11.217 0.279 -5.578 38 HA2 GLY 9 1HA GLY 9 -9.937 -1.558 -6.086 39 HA3 GLY 9 2HA GLY 9 -9.152 -1.270 -4.540 40 H GLU 10 H GLU 10 -9.497 -3.827 -5.589 41 HA GLU 10 HA GLU 10 -11.712 -4.974 -4.049 42 HB2 GLU 10 1HB GLU 10 -10.055 -5.926 -6.348 43 HB3 GLU 10 2HB GLU 10 -10.809 -7.114 -5.294 44 HG2 GLU 10 1HG GLU 10 -12.132 -5.047 -7.015 45 HG3 GLU 10 2HG GLU 10 -12.297 -6.801 -7.079 46 H LYS 11 H LYS 11 -9.507 -3.938 -2.621 47 HA LYS 11 HA LYS 11 -8.520 -6.410 -1.382 48 HB2 LYS 11 1HB LYS 11 -6.901 -4.024 -2.238 49 HB3 LYS 11 2HB LYS 11 -6.357 -5.069 -0.932 50 HG2 LYS 11 1HG LYS 11 -7.085 -6.190 -3.612 51 HG3 LYS 11 2HG LYS 11 -5.484 -5.515 -3.299 52 HD2 LYS 11 1HD LYS 11 -6.625 -7.532 -1.414 53 HD3 LYS 11 2HD LYS 11 -5.937 -8.069 -2.948 54 HE2 LYS 11 1HE LYS 11 -4.440 -6.248 -1.088 55 HE3 LYS 11 2HE LYS 11 -4.395 -8.001 -0.906 56 HZ1 LYS 11 3HZ LYS 11 -2.955 -6.372 -2.707 57 HZ2 LYS 11 1HZ LYS 11 -3.905 -7.467 -3.580 58 HZ3 LYS 11 2HZ LYS 11 -2.806 -8.034 -2.427 59 HA PRO 12 HA PRO 12 -9.950 -4.546 2.341 60 HB2 PRO 12 1HB PRO 12 -8.480 -5.969 4.126 61 HB3 PRO 12 2HB PRO 12 -9.857 -6.653 3.254 62 HG2 PRO 12 1HG PRO 12 -6.931 -6.915 2.679 63 HG3 PRO 12 2HG PRO 12 -8.196 -8.157 2.633 64 HD2 PRO 12 1HD PRO 12 -7.258 -6.949 0.398 65 HD3 PRO 12 2HD PRO 12 -8.938 -7.503 0.551 66 H TYR 13 H TYR 13 -6.746 -4.311 1.227 67 HA TYR 13 HA TYR 13 -6.175 -2.230 3.232 68 HB2 TYR 13 1HB TYR 13 -4.023 -3.859 1.897 69 HB3 TYR 13 2HB TYR 13 -3.900 -2.852 3.336 70 HD1 TYR 13 HD2 TYR 13 -5.107 -3.621 5.441 71 HD2 TYR 13 HD1 TYR 13 -4.501 -6.151 2.073 72 HE1 TYR 13 HE2 TYR 13 -5.495 -5.593 6.859 73 HE2 TYR 13 HE1 TYR 13 -4.889 -8.129 3.482 74 HH TYR 13 HH TYR 13 -6.244 -8.520 5.772 75 H GLU 14 H GLU 14 -5.711 -0.274 2.446 76 HA GLU 14 HA GLU 14 -4.632 0.022 -0.240 77 HB2 GLU 14 1HB GLU 14 -7.382 0.844 0.572 78 HB3 GLU 14 2HB GLU 14 -6.485 1.903 -0.508 79 HG2 GLU 14 1HG GLU 14 -6.101 -0.196 -1.927 80 HG3 GLU 14 2HG GLU 14 -7.396 -0.910 -0.969 81 H CYS 15 H CYS 15 -2.957 1.331 -0.001 82 HA CYS 15 HA CYS 15 -2.356 2.868 2.213 83 HB2 CYS 15 1HB CYS 15 -0.943 2.193 0.088 84 HB3 CYS 15 2HB CYS 15 -1.429 3.787 -0.478 85 H ASN 16 H ASN 16 -1.878 5.373 1.905 86 HA ASN 16 HA ASN 16 -4.448 6.596 1.148 87 HB2 ASN 16 1HB ASN 16 -3.549 8.455 2.762 88 HB3 ASN 16 2HB ASN 16 -4.281 6.997 3.426 89 HD21 ASN 16 1HD2 ASN 16 -2.865 5.315 4.172 90 HD22 ASN 16 2HD2 ASN 16 -1.293 5.717 4.766 91 H GLU 17 H GLU 17 -0.943 7.168 1.237 92 HA GLU 17 HA GLU 17 -1.045 9.547 -0.316 93 HB2 GLU 17 1HB GLU 17 0.827 8.870 1.229 94 HB3 GLU 17 2HB GLU 17 1.313 7.692 0.017 95 HG2 GLU 17 1HG GLU 17 2.701 9.535 -0.334 96 HG3 GLU 17 2HG GLU 17 1.477 9.641 -1.598 97 H CYS 18 H CYS 18 0.015 6.239 -1.123 98 HA CYS 18 HA CYS 18 -0.091 6.895 -3.961 99 HB2 CYS 18 1HB CYS 18 0.993 4.763 -4.325 100 HB3 CYS 18 2HB CYS 18 1.835 5.620 -3.037 101 H GLN 19 H GLN 19 -1.998 5.387 -1.554 102 HA GLN 19 HA GLN 19 -4.000 4.309 -1.591 103 HB2 GLN 19 1HB GLN 19 -4.108 5.609 -4.314 104 HB3 GLN 19 2HB GLN 19 -5.465 4.758 -3.587 105 HG2 GLN 19 1HG GLN 19 -4.098 7.101 -2.293 106 HG3 GLN 19 2HG GLN 19 -5.496 7.251 -3.357 107 HE21 GLN 19 1HE2 GLN 19 -5.283 7.998 -0.584 108 HE22 GLN 19 2HE2 GLN 19 -6.469 7.080 0.273 109 H LYS 20 H LYS 20 -1.721 2.793 -2.284 110 HA LYS 20 HA LYS 20 -2.618 1.031 -4.441 111 HB2 LYS 20 1HB LYS 20 -0.034 1.184 -2.887 112 HB3 LYS 20 2HB LYS 20 -0.382 -0.077 -4.062 113 HG2 LYS 20 1HG LYS 20 -0.489 1.511 -5.841 114 HG3 LYS 20 2HG LYS 20 -0.394 2.862 -4.708 115 HD2 LYS 20 1HD LYS 20 1.859 2.063 -4.030 116 HD3 LYS 20 2HD LYS 20 1.757 0.826 -5.286 117 HE2 LYS 20 1HE LYS 20 1.908 2.369 -6.999 118 HE3 LYS 20 2HE LYS 20 1.326 3.696 -5.995 119 HZ1 LYS 20 3HZ LYS 20 3.621 2.970 -4.767 120 HZ2 LYS 20 1HZ LYS 20 3.467 4.253 -5.859 121 HZ3 LYS 20 2HZ LYS 20 4.009 2.744 -6.398 122 H ALA 21 H ALA 21 -2.695 -1.277 -4.119 123 HA ALA 21 HA ALA 21 -3.710 -1.955 -1.460 124 HB1 ALA 21 3HB ALA 21 -3.865 -3.697 -3.901 125 HB2 ALA 21 1HB ALA 21 -4.875 -3.734 -2.456 126 HB3 ALA 21 2HB ALA 21 -5.018 -2.398 -3.598 127 H PHE 22 H PHE 22 -3.087 -3.921 -0.413 128 HA PHE 22 HA PHE 22 -0.571 -5.116 -1.319 129 HB2 PHE 22 1HB PHE 22 -1.053 -3.924 1.415 130 HB3 PHE 22 2HB PHE 22 0.281 -5.012 1.049 131 HD1 PHE 22 HD2 PHE 22 -1.245 -1.828 -0.141 132 HD2 PHE 22 HD1 PHE 22 2.300 -4.119 0.403 133 HE1 PHE 22 HE2 PHE 22 0.104 0.088 -0.892 134 HE2 PHE 22 HE1 PHE 22 3.655 -2.207 -0.346 135 HZ PHE 22 HZ PHE 22 2.558 -0.100 -0.995 136 H ASN 23 H ASN 23 -0.194 -7.226 -0.572 137 HA ASN 23 HA ASN 23 -2.458 -8.840 -0.265 138 HB2 ASN 23 1HB ASN 23 -0.747 -10.608 0.437 139 HB3 ASN 23 2HB ASN 23 -0.525 -9.873 -1.148 140 HD21 ASN 23 1HD2 ASN 23 1.147 -10.978 1.314 141 HD22 ASN 23 2HD2 ASN 23 2.495 -9.897 1.324 142 H THR 24 H THR 24 -0.076 -7.757 2.138 143 HA THR 24 HA THR 24 -1.977 -8.547 4.249 144 HB THR 24 HB THR 24 -0.069 -8.821 5.765 145 HG1 THR 24 HG1 THR 24 1.657 -7.750 5.134 146 HG21 THR 24 3HG2 THR 24 1.049 -10.585 3.856 147 HG22 THR 24 1HG2 THR 24 -0.678 -10.478 3.518 148 HG23 THR 24 2HG2 THR 24 -0.122 -10.953 5.123 149 H LYS 25 H LYS 25 -1.766 -7.247 6.271 150 HA LYS 25 HA LYS 25 -1.919 -4.459 5.632 151 HB2 LYS 25 1HB LYS 25 -3.451 -5.343 7.261 152 HB3 LYS 25 2HB LYS 25 -2.130 -5.964 8.242 153 HG2 LYS 25 1HG LYS 25 -1.393 -3.620 8.624 154 HG3 LYS 25 2HG LYS 25 -2.842 -3.077 7.773 155 HD2 LYS 25 1HD LYS 25 -3.091 -4.981 10.065 156 HD3 LYS 25 2HD LYS 25 -2.843 -3.261 10.378 157 HE2 LYS 25 1HE LYS 25 -4.844 -2.674 9.263 158 HE3 LYS 25 2HE LYS 25 -5.005 -4.280 8.552 159 HZ1 LYS 25 3HZ LYS 25 -6.460 -3.709 10.546 160 HZ2 LYS 25 1HZ LYS 25 -5.060 -3.889 11.479 161 HZ3 LYS 25 2HZ LYS 25 -5.648 -5.193 10.577 162 H SER 26 H SER 26 0.160 -6.350 7.827 163 HA SER 26 HA SER 26 1.821 -4.487 8.834 164 HB2 SER 26 1HB SER 26 2.289 -7.282 7.907 165 HB3 SER 26 2HB SER 26 3.698 -6.313 8.336 166 HG SER 26 HG SER 26 2.319 -7.627 10.003 167 H ASN 27 H ASN 27 2.065 -5.852 5.570 168 HA ASN 27 HA ASN 27 4.398 -4.540 4.769 169 HB2 ASN 27 1HB ASN 27 3.316 -6.394 3.518 170 HB3 ASN 27 2HB ASN 27 2.034 -5.288 3.034 171 HD21 ASN 27 1HD2 ASN 27 4.280 -6.817 1.636 172 HD22 ASN 27 2HD2 ASN 27 4.989 -5.630 0.599 173 H LEU 28 H LEU 28 1.002 -3.546 4.482 174 HA LEU 28 HA LEU 28 1.494 -1.126 3.124 175 HB2 LEU 28 1HB LEU 28 -0.700 -1.944 3.050 176 HB3 LEU 28 2HB LEU 28 -0.778 -2.136 4.801 177 HG LEU 28 HG LEU 28 -0.798 0.342 5.013 178 HD11 LEU 28 1HD1 LEU 28 -1.568 0.683 2.194 179 HD12 LEU 28 2HD1 LEU 28 0.147 0.395 2.487 180 HD13 LEU 28 3HD1 LEU 28 -0.665 1.753 3.267 181 HD21 LEU 28 3HD2 LEU 28 -3.133 0.592 4.017 182 HD22 LEU 28 1HD2 LEU 28 -2.892 -0.697 5.198 183 HD23 LEU 28 2HD2 LEU 28 -2.953 -1.078 3.477 184 H MET 29 H MET 29 0.808 -1.727 6.573 185 HA MET 29 HA MET 29 1.023 0.822 7.552 186 HB2 MET 29 1HB MET 29 2.039 -1.714 8.847 187 HB3 MET 29 2HB MET 29 1.746 -0.197 9.687 188 HG2 MET 29 1HG MET 29 -0.379 -1.722 8.207 189 HG3 MET 29 2HG MET 29 -0.050 -1.910 9.928 190 HE1 MET 29 3HE MET 29 -3.139 -0.734 10.218 191 HE2 MET 29 1HE MET 29 -1.756 -1.448 11.047 192 HE3 MET 29 2HE MET 29 -2.309 0.167 11.487 193 H VAL 30 H VAL 30 3.691 -1.501 7.136 194 HA VAL 30 HA VAL 30 5.726 0.280 7.969 195 HB VAL 30 HB VAL 30 5.912 -2.175 6.218 196 HG11 VAL 30 1HG1 VAL 30 8.306 -1.634 7.660 197 HG12 VAL 30 2HG1 VAL 30 8.064 -1.726 5.915 198 HG13 VAL 30 3HG1 VAL 30 7.855 -0.189 6.755 199 HG21 VAL 30 3HG2 VAL 30 6.335 -1.781 9.179 200 HG22 VAL 30 1HG2 VAL 30 5.030 -2.684 8.410 201 HG23 VAL 30 2HG2 VAL 30 6.692 -3.265 8.295 202 H HIS 31 H HIS 31 4.490 -0.620 4.770 203 HA HIS 31 HA HIS 31 6.303 0.727 3.171 204 HB2 HIS 31 1HB HIS 31 4.856 -0.563 1.931 205 HB3 HIS 31 2HB HIS 31 3.446 -0.069 2.862 206 HD1 HIS 31 HD1 HIS 31 5.707 1.156 0.101 207 HD2 HIS 31 HD2 HIS 31 2.021 2.032 1.805 208 HE1 HIS 31 HE1 HIS 31 4.649 2.853 -1.423 209 H GLN 32 H GLN 32 3.168 1.966 4.339 210 HA GLN 32 HA GLN 32 3.072 4.457 3.372 211 HB2 GLN 32 1HB GLN 32 2.589 3.680 6.252 212 HB3 GLN 32 2HB GLN 32 2.072 5.201 5.536 213 HG2 GLN 32 1HG GLN 32 0.536 4.125 4.111 214 HG3 GLN 32 2HG GLN 32 1.225 2.538 4.445 215 HE21 GLN 32 1HE2 GLN 32 -1.517 3.369 4.700 216 HE22 GLN 32 2HE2 GLN 32 -1.956 3.146 6.355 217 H ARG 33 H ARG 33 5.208 3.419 5.987 218 HA ARG 33 HA ARG 33 6.228 5.866 6.783 219 HB2 ARG 33 1HB ARG 33 7.689 3.228 6.562 220 HB3 ARG 33 2HB ARG 33 8.241 4.617 7.488 221 HG2 ARG 33 1HG ARG 33 6.107 4.447 8.809 222 HG3 ARG 33 2HG ARG 33 5.824 2.906 7.997 223 HD2 ARG 33 1HD ARG 33 8.187 3.624 9.728 224 HD3 ARG 33 2HD ARG 33 6.866 2.536 10.153 225 HE ARG 33 HE ARG 33 7.859 1.410 7.918 226 HH11 ARG 33 1HH1 ARG 33 9.347 2.524 10.862 227 HH12 ARG 33 2HH1 ARG 33 10.632 1.363 10.805 228 HH21 ARG 33 1HH2 ARG 33 9.546 -0.123 7.832 229 HH22 ARG 33 2HH2 ARG 33 10.745 -0.141 9.081 230 H THR 34 H THR 34 7.409 3.730 4.197 231 HA THR 34 HA THR 34 9.640 4.992 3.337 232 HB THR 34 HB THR 34 9.158 4.245 1.063 233 HG1 THR 34 HG1 THR 34 6.938 3.103 0.984 234 HG21 THR 34 3HG2 THR 34 9.113 1.956 1.493 235 HG22 THR 34 1HG2 THR 34 8.000 2.132 2.849 236 HG23 THR 34 2HG2 THR 34 9.684 2.631 3.019 237 H HIS 35 H HIS 35 6.336 5.881 2.339 238 HA HIS 35 HA HIS 35 6.744 7.913 0.618 239 HB2 HIS 35 1HB HIS 35 4.755 7.666 2.860 240 HB3 HIS 35 2HB HIS 35 4.745 9.066 1.791 241 HD1 HIS 35 HD1 HIS 35 5.053 7.928 -0.930 242 HD2 HIS 35 HD2 HIS 35 2.788 6.039 1.996 243 HE1 HIS 35 HE1 HIS 35 3.452 6.441 -2.175 244 H THR 36 H THR 36 6.547 8.459 4.141 245 HA THR 36 HA THR 36 7.956 10.999 3.783 246 HB THR 36 HB THR 36 5.879 11.004 5.127 247 HG1 THR 36 HG1 THR 36 6.859 12.594 6.105 248 HG21 THR 36 3HG2 THR 36 6.082 10.037 7.467 249 HG22 THR 36 1HG2 THR 36 7.460 9.118 6.863 250 HG23 THR 36 2HG2 THR 36 5.861 8.875 6.159 251 H GLY 37 H GLY 37 9.483 8.649 3.422 252 HA2 GLY 37 1HA GLY 37 11.280 7.451 4.296 253 HA3 GLY 37 2HA GLY 37 11.832 9.090 4.606 254 H GLU 38 H GLU 38 12.943 8.638 6.478 255 HA GLU 38 HA GLU 38 11.264 7.894 8.779 256 HB2 GLU 38 1HB GLU 38 13.910 6.819 7.930 257 HB3 GLU 38 2HB GLU 38 13.619 7.014 9.652 258 HG2 GLU 38 1HG GLU 38 12.161 5.274 7.697 259 HG3 GLU 38 2HG GLU 38 13.017 4.808 9.166 260 H SER 39 H SER 39 11.694 10.521 7.969 261 HA SER 39 HA SER 39 12.735 11.658 10.357 262 HB2 SER 39 1HB SER 39 14.851 11.126 9.085 263 HB3 SER 39 2HB SER 39 14.324 12.280 7.860 264 HG SER 39 HG SER 39 15.690 12.843 9.970 265 H GLY 40 H GLY 40 12.659 14.073 10.292 266 HA2 GLY 40 1HA GLY 40 10.971 15.143 8.146 267 HA3 GLY 40 2HA GLY 40 10.361 15.218 9.793 268 HA PRO 41 HA PRO 41 14.253 18.110 9.545 269 HB2 PRO 41 1HB PRO 41 15.062 18.765 7.038 270 HB3 PRO 41 2HB PRO 41 15.711 17.381 7.926 271 HG2 PRO 41 1HG PRO 41 13.599 17.449 5.806 272 HG3 PRO 41 2HG PRO 41 14.941 16.309 6.012 273 HD2 PRO 41 1HD PRO 41 12.407 15.727 6.767 274 HD3 PRO 41 2HD PRO 41 13.827 15.094 7.623 275 H SER 42 H SER 42 11.298 18.195 8.048 276 HA SER 42 HA SER 42 11.346 21.138 7.900 277 HB2 SER 42 1HB SER 42 11.070 19.790 5.688 278 HB3 SER 42 2HB SER 42 9.432 19.493 6.269 279 HG SER 42 HG SER 42 9.605 21.978 6.603 280 H SER 43 H SER 43 10.164 22.016 9.451 281 HA SER 43 HA SER 43 8.319 20.505 11.014 282 HB2 SER 43 1HB SER 43 9.752 22.477 11.792 283 HB3 SER 43 2HB SER 43 8.558 23.514 11.011 284 HG SER 43 HG SER 43 7.860 23.312 13.070 285 H GLY 44 H GLY 44 6.260 20.095 10.582 286 HA2 GLY 44 1HA GLY 44 4.559 22.097 9.374 287 HA3 GLY 44 2HA GLY 44 4.853 20.698 8.352 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.729 -8.279 -24.343 2 HA2 GLY 1 1HA GLY 1 -10.604 -7.146 -21.808 3 HA3 GLY 1 2HA GLY 1 -9.287 -8.020 -22.576 4 H SER 2 H SER 2 -10.780 -4.839 -22.233 5 HA SER 2 HA SER 2 -8.980 -3.277 -23.619 6 HB2 SER 2 1HB SER 2 -11.084 -2.477 -22.514 7 HB3 SER 2 2HB SER 2 -10.236 -2.526 -20.969 8 HG SER 2 HG SER 2 -9.463 -0.987 -23.228 9 H SER 3 H SER 3 -7.308 -1.796 -22.711 10 HA SER 3 HA SER 3 -5.493 -3.337 -21.007 11 HB2 SER 3 1HB SER 3 -4.677 -2.549 -23.222 12 HB3 SER 3 2HB SER 3 -4.910 -0.885 -22.686 13 HG SER 3 HG SER 3 -3.352 -2.629 -21.135 14 H GLY 4 H GLY 4 -5.977 -2.915 -18.916 15 HA2 GLY 4 1HA GLY 4 -5.186 -0.456 -17.779 16 HA3 GLY 4 2HA GLY 4 -6.940 -0.508 -17.875 17 H SER 5 H SER 5 -5.888 -0.274 -15.430 18 HA SER 5 HA SER 5 -5.275 -2.707 -14.124 19 HB2 SER 5 1HB SER 5 -6.399 -0.146 -12.962 20 HB3 SER 5 2HB SER 5 -5.660 -1.456 -12.041 21 HG SER 5 HG SER 5 -4.082 0.054 -12.386 22 H SER 6 H SER 6 -6.547 -4.327 -13.527 23 HA SER 6 HA SER 6 -9.455 -3.854 -13.420 24 HB2 SER 6 1HB SER 6 -9.648 -6.316 -13.964 25 HB3 SER 6 2HB SER 6 -8.987 -5.318 -15.259 26 HG SER 6 HG SER 6 -7.768 -7.228 -14.942 27 H GLY 7 H GLY 7 -6.861 -5.903 -12.088 28 HA2 GLY 7 1HA GLY 7 -6.484 -6.446 -9.857 29 HA3 GLY 7 2HA GLY 7 -7.962 -5.598 -9.429 30 H THR 8 H THR 8 -6.529 -8.568 -9.577 31 HA THR 8 HA THR 8 -9.029 -10.024 -10.040 32 HB THR 8 HB THR 8 -7.649 -12.057 -10.055 33 HG1 THR 8 HG1 THR 8 -5.703 -10.238 -9.201 34 HG21 THR 8 3HG2 THR 8 -6.090 -11.266 -12.022 35 HG22 THR 8 1HG2 THR 8 -7.011 -9.771 -11.864 36 HG23 THR 8 2HG2 THR 8 -7.843 -11.286 -12.215 37 H GLY 9 H GLY 9 -8.902 -8.501 -7.685 38 HA2 GLY 9 1HA GLY 9 -9.974 -9.941 -5.740 39 HA3 GLY 9 2HA GLY 9 -8.283 -10.373 -5.532 40 H GLU 10 H GLU 10 -10.406 -7.530 -5.788 41 HA GLU 10 HA GLU 10 -8.809 -5.524 -4.931 42 HB2 GLU 10 1HB GLU 10 -11.282 -5.408 -5.455 43 HB3 GLU 10 2HB GLU 10 -11.578 -5.936 -3.805 44 HG2 GLU 10 1HG GLU 10 -9.841 -3.566 -4.257 45 HG3 GLU 10 2HG GLU 10 -11.586 -3.396 -4.443 46 H LYS 11 H LYS 11 -7.488 -5.242 -3.274 47 HA LYS 11 HA LYS 11 -7.569 -6.989 -0.991 48 HB2 LYS 11 1HB LYS 11 -5.772 -4.755 -1.882 49 HB3 LYS 11 2HB LYS 11 -5.648 -5.397 -0.249 50 HG2 LYS 11 1HG LYS 11 -4.034 -6.539 -1.514 51 HG3 LYS 11 2HG LYS 11 -5.368 -7.676 -1.305 52 HD2 LYS 11 1HD LYS 11 -6.207 -6.886 -3.565 53 HD3 LYS 11 2HD LYS 11 -4.647 -6.081 -3.754 54 HE2 LYS 11 1HE LYS 11 -4.225 -8.094 -4.776 55 HE3 LYS 11 2HE LYS 11 -3.699 -8.441 -3.129 56 HZ1 LYS 11 3HZ LYS 11 -5.169 -10.074 -3.035 57 HZ2 LYS 11 1HZ LYS 11 -5.655 -9.757 -4.624 58 HZ3 LYS 11 2HZ LYS 11 -6.440 -8.998 -3.333 59 HA PRO 12 HA PRO 12 -10.038 -4.495 1.668 60 HB2 PRO 12 1HB PRO 12 -9.155 -5.417 4.064 61 HB3 PRO 12 2HB PRO 12 -10.212 -6.356 3.004 62 HG2 PRO 12 1HG PRO 12 -7.245 -6.537 3.364 63 HG3 PRO 12 2HG PRO 12 -8.437 -7.843 3.227 64 HD2 PRO 12 1HD PRO 12 -6.886 -7.063 1.150 65 HD3 PRO 12 2HD PRO 12 -8.535 -7.684 0.930 66 H TYR 13 H TYR 13 -6.672 -4.240 1.436 67 HA TYR 13 HA TYR 13 -6.645 -1.899 3.225 68 HB2 TYR 13 1HB TYR 13 -4.239 -3.482 2.312 69 HB3 TYR 13 2HB TYR 13 -4.294 -2.245 3.563 70 HD1 TYR 13 HD2 TYR 13 -5.332 -2.733 5.744 71 HD2 TYR 13 HD1 TYR 13 -4.911 -5.741 2.764 72 HE1 TYR 13 HE2 TYR 13 -5.736 -4.465 7.443 73 HE2 TYR 13 HE1 TYR 13 -5.315 -7.481 4.455 74 HH TYR 13 HH TYR 13 -6.722 -7.152 7.132 75 H GLU 14 H GLU 14 -5.827 0.033 2.487 76 HA GLU 14 HA GLU 14 -4.659 0.231 -0.151 77 HB2 GLU 14 1HB GLU 14 -7.461 1.053 0.434 78 HB3 GLU 14 2HB GLU 14 -6.500 2.104 -0.597 79 HG2 GLU 14 1HG GLU 14 -7.476 0.757 -2.156 80 HG3 GLU 14 2HG GLU 14 -5.974 -0.118 -1.868 81 H CYS 15 H CYS 15 -3.082 1.671 -0.010 82 HA CYS 15 HA CYS 15 -2.524 3.227 2.208 83 HB2 CYS 15 1HB CYS 15 -1.109 2.601 0.057 84 HB3 CYS 15 2HB CYS 15 -1.636 4.195 -0.473 85 H ASN 16 H ASN 16 -2.105 5.762 1.805 86 HA ASN 16 HA ASN 16 -4.732 6.883 1.079 87 HB2 ASN 16 1HB ASN 16 -4.033 6.967 3.523 88 HB3 ASN 16 2HB ASN 16 -2.779 8.102 3.031 89 HD21 ASN 16 1HD2 ASN 16 -4.207 9.233 4.748 90 HD22 ASN 16 2HD2 ASN 16 -5.446 10.253 4.108 91 H GLU 17 H GLU 17 -1.275 7.722 1.288 92 HA GLU 17 HA GLU 17 -1.480 10.026 -0.345 93 HB2 GLU 17 1HB GLU 17 0.796 8.322 0.607 94 HB3 GLU 17 2HB GLU 17 1.078 9.572 -0.597 95 HG2 GLU 17 1HG GLU 17 -0.384 10.300 1.885 96 HG3 GLU 17 2HG GLU 17 1.359 10.048 1.969 97 H CYS 18 H CYS 18 -0.214 6.767 -1.043 98 HA CYS 18 HA CYS 18 -0.272 7.361 -3.900 99 HB2 CYS 18 1HB CYS 18 1.081 5.452 -4.211 100 HB3 CYS 18 2HB CYS 18 1.679 6.194 -2.731 101 H GLN 19 H GLN 19 -2.120 5.760 -1.505 102 HA GLN 19 HA GLN 19 -4.035 4.534 -1.565 103 HB2 GLN 19 1HB GLN 19 -4.334 5.465 -4.417 104 HB3 GLN 19 2HB GLN 19 -5.608 5.006 -3.294 105 HG2 GLN 19 1HG GLN 19 -4.584 7.010 -1.899 106 HG3 GLN 19 2HG GLN 19 -4.078 7.533 -3.505 107 HE21 GLN 19 1HE2 GLN 19 -6.656 7.252 -1.299 108 HE22 GLN 19 2HE2 GLN 19 -7.899 7.900 -2.307 109 H LYS 20 H LYS 20 -1.782 3.059 -1.994 110 HA LYS 20 HA LYS 20 -2.363 1.282 -4.248 111 HB2 LYS 20 1HB LYS 20 -0.061 1.956 -4.107 112 HB3 LYS 20 2HB LYS 20 0.020 1.509 -2.407 113 HG2 LYS 20 1HG LYS 20 -0.292 -0.845 -3.023 114 HG3 LYS 20 2HG LYS 20 -0.329 -0.382 -4.726 115 HD2 LYS 20 1HD LYS 20 1.914 0.051 -4.798 116 HD3 LYS 20 2HD LYS 20 1.992 0.503 -3.094 117 HE2 LYS 20 1HE LYS 20 3.075 -1.512 -3.029 118 HE3 LYS 20 2HE LYS 20 1.418 -2.040 -2.737 119 HZ1 LYS 20 3HZ LYS 20 1.270 -2.411 -5.200 120 HZ2 LYS 20 1HZ LYS 20 2.304 -3.463 -4.372 121 HZ3 LYS 20 2HZ LYS 20 2.944 -2.182 -5.272 122 H ALA 21 H ALA 21 -2.998 -0.806 -4.007 123 HA ALA 21 HA ALA 21 -4.012 -1.574 -1.405 124 HB1 ALA 21 3HB ALA 21 -5.542 -2.651 -2.597 125 HB2 ALA 21 1HB ALA 21 -4.751 -2.083 -4.068 126 HB3 ALA 21 2HB ALA 21 -4.302 -3.639 -3.368 127 H PHE 22 H PHE 22 -3.280 -3.208 -0.130 128 HA PHE 22 HA PHE 22 -0.885 -4.657 -1.045 129 HB2 PHE 22 1HB PHE 22 -1.419 -3.453 1.675 130 HB3 PHE 22 2HB PHE 22 -0.111 -4.585 1.349 131 HD1 PHE 22 HD2 PHE 22 -1.486 -1.347 0.123 132 HD2 PHE 22 HD1 PHE 22 1.958 -3.760 0.777 133 HE1 PHE 22 HE2 PHE 22 -0.048 0.524 -0.572 134 HE2 PHE 22 HE1 PHE 22 3.403 -1.892 0.085 135 HZ PHE 22 HZ PHE 22 2.400 0.253 -0.592 136 H ASN 23 H ASN 23 -0.878 -6.811 -0.750 137 HA ASN 23 HA ASN 23 -3.217 -8.217 -0.227 138 HB2 ASN 23 1HB ASN 23 -1.078 -9.018 -1.397 139 HB3 ASN 23 2HB ASN 23 -0.473 -9.380 0.217 140 HD21 ASN 23 1HD2 ASN 23 -1.849 -10.801 1.552 141 HD22 ASN 23 2HD2 ASN 23 -2.688 -12.089 0.763 142 H THR 24 H THR 24 -0.490 -7.499 1.918 143 HA THR 24 HA THR 24 -2.124 -8.436 4.186 144 HB THR 24 HB THR 24 -0.035 -8.810 5.419 145 HG1 THR 24 HG1 THR 24 1.106 -7.836 3.015 146 HG21 THR 24 3HG2 THR 24 0.801 -10.736 4.102 147 HG22 THR 24 1HG2 THR 24 -0.144 -10.172 2.725 148 HG23 THR 24 2HG2 THR 24 -0.959 -10.688 4.201 149 H LYS 25 H LYS 25 -2.021 -7.231 6.147 150 HA LYS 25 HA LYS 25 -2.047 -4.417 5.755 151 HB2 LYS 25 1HB LYS 25 -3.527 -5.464 7.373 152 HB3 LYS 25 2HB LYS 25 -2.150 -6.063 8.288 153 HG2 LYS 25 1HG LYS 25 -2.863 -4.213 9.495 154 HG3 LYS 25 2HG LYS 25 -1.499 -3.600 8.556 155 HD2 LYS 25 1HD LYS 25 -3.315 -2.952 6.819 156 HD3 LYS 25 2HD LYS 25 -4.431 -3.119 8.176 157 HE2 LYS 25 1HE LYS 25 -1.958 -1.406 8.277 158 HE3 LYS 25 2HE LYS 25 -3.528 -0.796 7.758 159 HZ1 LYS 25 3HZ LYS 25 -3.805 -2.180 10.200 160 HZ2 LYS 25 1HZ LYS 25 -4.125 -0.553 9.861 161 HZ3 LYS 25 2HZ LYS 25 -2.577 -1.026 10.353 162 H SER 26 H SER 26 0.010 -6.449 7.849 163 HA SER 26 HA SER 26 1.764 -4.693 8.859 164 HB2 SER 26 1HB SER 26 1.808 -7.267 8.967 165 HB3 SER 26 2HB SER 26 2.830 -7.179 7.532 166 HG SER 26 HG SER 26 4.029 -7.225 9.505 167 H ASN 27 H ASN 27 1.915 -5.964 5.550 168 HA ASN 27 HA ASN 27 4.264 -4.679 4.749 169 HB2 ASN 27 1HB ASN 27 2.717 -6.462 3.554 170 HB3 ASN 27 2HB ASN 27 2.028 -5.028 2.797 171 HD21 ASN 27 1HD2 ASN 27 3.595 -3.543 1.770 172 HD22 ASN 27 2HD2 ASN 27 4.950 -4.239 0.953 173 H LEU 28 H LEU 28 0.883 -3.614 4.510 174 HA LEU 28 HA LEU 28 1.290 -1.218 3.164 175 HB2 LEU 28 1HB LEU 28 -0.924 -1.896 3.395 176 HB3 LEU 28 2HB LEU 28 -0.766 -2.144 5.133 177 HG LEU 28 HG LEU 28 -0.596 0.357 5.366 178 HD11 LEU 28 1HD1 LEU 28 -1.982 1.003 2.958 179 HD12 LEU 28 2HD1 LEU 28 -0.457 0.215 2.554 180 HD13 LEU 28 3HD1 LEU 28 -0.463 1.653 3.575 181 HD21 LEU 28 3HD2 LEU 28 -2.668 -0.187 6.037 182 HD22 LEU 28 1HD2 LEU 28 -2.950 -1.239 4.650 183 HD23 LEU 28 2HD2 LEU 28 -3.167 0.504 4.492 184 H MET 29 H MET 29 1.165 -1.777 6.681 185 HA MET 29 HA MET 29 1.597 0.807 7.551 186 HB2 MET 29 1HB MET 29 2.366 -1.861 8.700 187 HB3 MET 29 2HB MET 29 2.787 -0.367 9.528 188 HG2 MET 29 1HG MET 29 -0.031 -0.923 8.694 189 HG3 MET 29 2HG MET 29 0.627 -1.589 10.187 190 HE1 MET 29 3HE MET 29 0.090 0.399 12.644 191 HE2 MET 29 1HE MET 29 1.394 -0.583 11.977 192 HE3 MET 29 2HE MET 29 1.653 1.134 12.284 193 H VAL 30 H VAL 30 4.101 -1.689 7.059 194 HA VAL 30 HA VAL 30 6.314 -0.063 7.524 195 HB VAL 30 HB VAL 30 6.184 -2.394 5.607 196 HG11 VAL 30 1HG1 VAL 30 8.621 -1.956 7.155 197 HG12 VAL 30 2HG1 VAL 30 8.413 -2.296 5.435 198 HG13 VAL 30 3HG1 VAL 30 8.250 -0.645 6.035 199 HG21 VAL 30 3HG2 VAL 30 7.239 -2.844 8.300 200 HG22 VAL 30 1HG2 VAL 30 5.517 -2.468 8.252 201 HG23 VAL 30 2HG2 VAL 30 6.148 -3.832 7.329 202 H HIS 31 H HIS 31 4.330 -0.437 4.675 203 HA HIS 31 HA HIS 31 6.116 0.820 2.851 204 HB2 HIS 31 1HB HIS 31 4.505 -0.484 1.792 205 HB3 HIS 31 2HB HIS 31 3.202 0.119 2.813 206 HD1 HIS 31 HD1 HIS 31 5.435 1.314 -0.012 207 HD2 HIS 31 HD2 HIS 31 1.736 2.123 1.698 208 HE1 HIS 31 HE1 HIS 31 4.353 3.009 -1.521 209 H GLN 32 H GLN 32 3.104 1.992 4.365 210 HA GLN 32 HA GLN 32 3.057 4.567 3.508 211 HB2 GLN 32 1HB GLN 32 2.467 3.615 6.315 212 HB3 GLN 32 2HB GLN 32 1.953 5.157 5.644 213 HG2 GLN 32 1HG GLN 32 0.446 4.151 4.175 214 HG3 GLN 32 2HG GLN 32 1.194 2.564 4.353 215 HE21 GLN 32 1HE2 GLN 32 -1.547 3.962 4.921 216 HE22 GLN 32 2HE2 GLN 32 -1.995 3.286 6.446 217 H ARG 33 H ARG 33 5.392 3.143 5.599 218 HA ARG 33 HA ARG 33 6.360 5.602 6.720 219 HB2 ARG 33 1HB ARG 33 7.329 2.760 6.711 220 HB3 ARG 33 2HB ARG 33 8.364 4.053 7.301 221 HG2 ARG 33 1HG ARG 33 6.259 4.651 8.747 222 HG3 ARG 33 2HG ARG 33 5.851 2.960 8.452 223 HD2 ARG 33 1HD ARG 33 8.036 2.288 9.340 224 HD3 ARG 33 2HD ARG 33 8.424 3.980 9.650 225 HE ARG 33 HE ARG 33 7.036 3.943 11.491 226 HH11 ARG 33 1HH1 ARG 33 6.644 1.023 9.636 227 HH12 ARG 33 2HH1 ARG 33 5.722 0.214 10.859 228 HH21 ARG 33 1HH2 ARG 33 5.823 2.888 13.110 229 HH22 ARG 33 2HH2 ARG 33 5.254 1.276 12.834 230 H THR 34 H THR 34 7.487 3.370 4.196 231 HA THR 34 HA THR 34 9.850 4.645 3.504 232 HB THR 34 HB THR 34 9.072 2.429 2.624 233 HG1 THR 34 HG1 THR 34 9.860 3.038 0.363 234 HG21 THR 34 3HG2 THR 34 7.074 4.163 1.384 235 HG22 THR 34 1HG2 THR 34 7.040 2.423 1.671 236 HG23 THR 34 2HG2 THR 34 7.854 3.066 0.244 237 H HIS 35 H HIS 35 6.616 5.677 3.032 238 HA HIS 35 HA HIS 35 6.835 7.261 0.744 239 HB2 HIS 35 1HB HIS 35 5.059 7.233 3.131 240 HB3 HIS 35 2HB HIS 35 5.054 8.688 2.139 241 HD1 HIS 35 HD1 HIS 35 5.350 7.241 -0.632 242 HD2 HIS 35 HD2 HIS 35 2.628 6.230 2.339 243 HE1 HIS 35 HE1 HIS 35 3.480 6.043 -1.813 244 H THR 36 H THR 36 7.131 8.292 4.148 245 HA THR 36 HA THR 36 8.227 10.843 3.366 246 HB THR 36 HB THR 36 8.460 11.236 5.811 247 HG1 THR 36 HG1 THR 36 8.712 9.338 6.803 248 HG21 THR 36 3HG2 THR 36 6.360 11.751 4.588 249 HG22 THR 36 1HG2 THR 36 6.095 11.362 6.287 250 HG23 THR 36 2HG2 THR 36 5.744 10.162 5.043 251 H GLY 37 H GLY 37 10.185 10.486 2.357 252 HA2 GLY 37 1HA GLY 37 12.470 10.284 3.980 253 HA3 GLY 37 2HA GLY 37 12.185 8.720 3.230 254 H GLU 38 H GLU 38 12.720 8.409 1.123 255 HA GLU 38 HA GLU 38 14.567 10.151 -0.077 256 HB2 GLU 38 1HB GLU 38 14.214 7.628 -0.459 257 HB3 GLU 38 2HB GLU 38 12.973 8.109 -1.607 258 HG2 GLU 38 1HG GLU 38 14.504 9.080 -3.053 259 HG3 GLU 38 2HG GLU 38 15.743 9.215 -1.806 260 H SER 39 H SER 39 14.263 10.903 -2.432 261 HA SER 39 HA SER 39 11.935 12.651 -2.455 262 HB2 SER 39 1HB SER 39 14.272 12.585 -4.377 263 HB3 SER 39 2HB SER 39 13.081 13.874 -4.204 264 HG SER 39 HG SER 39 14.033 14.540 -2.412 265 H GLY 40 H GLY 40 13.470 10.215 -4.533 266 HA2 GLY 40 1HA GLY 40 12.121 8.605 -5.709 267 HA3 GLY 40 2HA GLY 40 10.852 9.815 -5.824 268 HA PRO 41 HA PRO 41 13.383 9.614 -9.786 269 HB2 PRO 41 1HB PRO 41 11.343 8.867 -11.414 270 HB3 PRO 41 2HB PRO 41 12.374 7.705 -10.571 271 HG2 PRO 41 1HG PRO 41 9.644 8.692 -9.842 272 HG3 PRO 41 2HG PRO 41 10.289 7.041 -9.785 273 HD2 PRO 41 1HD PRO 41 10.081 8.600 -7.581 274 HD3 PRO 41 2HD PRO 41 11.372 7.399 -7.782 275 H SER 42 H SER 42 13.509 11.341 -11.121 276 HA SER 42 HA SER 42 11.578 13.477 -10.744 277 HB2 SER 42 1HB SER 42 14.259 13.327 -12.124 278 HB3 SER 42 2HB SER 42 13.230 14.757 -12.212 279 HG SER 42 HG SER 42 14.690 13.740 -10.082 280 H SER 43 H SER 43 9.775 12.637 -11.850 281 HA SER 43 HA SER 43 10.072 12.531 -14.780 282 HB2 SER 43 1HB SER 43 8.069 11.113 -13.008 283 HB3 SER 43 2HB SER 43 8.030 11.099 -14.771 284 HG SER 43 HG SER 43 9.573 9.671 -14.778 285 H GLY 44 H GLY 44 9.506 14.490 -15.516 286 HA2 GLY 44 1HA GLY 44 8.326 16.457 -15.772 287 HA3 GLY 44 2HA GLY 44 6.942 15.374 -15.758
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