NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4124 | 1ery | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASP 1 HA ASP 1 -8.347 -9.379 -9.379 2 1HB ASP 1 1HB ASP 1 -6.449 -8.375 -8.375 3 2HB ASP 1 2HB ASP 1 -5.759 -8.285 -8.285 4 H GLU 2 H GLU 2 -6.746 -8.733 -8.733 5 HA GLU 2 HA GLU 2 -7.807 -6.206 -6.206 6 1HB GLU 2 1HB GLU 2 -5.882 -8.181 -8.181 7 2HB GLU 2 2HB GLU 2 -6.736 -6.835 -6.835 8 1HG GLU 2 1HG GLU 2 -8.091 -9.300 -9.300 9 2HG GLU 2 2HG GLU 2 -7.876 -8.950 -8.950 10 H CYS 3 H CYS 3 -4.710 -7.697 -7.697 11 HA CYS 3 HA CYS 3 -3.089 -5.471 -5.471 12 1HB CYS 3 1HB CYS 3 -2.196 -7.624 -7.624 13 2HB CYS 3 2HB CYS 3 -2.964 -7.450 -7.450 14 H ALA 4 H ALA 4 -5.163 -6.084 -6.084 15 HA ALA 4 HA ALA 4 -4.417 -3.746 -3.746 16 1HB ALA 4 3HB ALA 4 -7.041 -5.321 -5.321 17 2HB ALA 4 1HB ALA 4 -6.553 -4.109 -4.109 18 3HB ALA 4 2HB ALA 4 -5.629 -5.619 -5.619 19 H ASN 5 H ASN 5 -7.187 -4.367 -4.367 20 HA ASN 5 HA ASN 5 -8.263 -1.751 -1.751 21 1HB ASN 5 1HB ASN 5 -9.475 -3.618 -3.618 22 2HB ASN 5 2HB ASN 5 -8.210 -3.916 -3.916 23 1HD2 ASN 5 2HD2 ASN 5 -10.960 -2.523 -2.523 24 2HD2 ASN 5 1HD2 ASN 5 -10.359 -3.991 -3.991 25 H ALA 6 H ALA 6 -5.746 -3.111 -3.111 26 HA ALA 6 HA ALA 6 -5.385 -0.926 -0.926 27 1HB ALA 6 3HB ALA 6 -4.313 -3.185 -3.185 28 2HB ALA 6 1HB ALA 6 -3.300 -2.890 -2.890 29 3HB ALA 6 2HB ALA 6 -3.113 -1.867 -1.867 30 H ALA 7 H ALA 7 -3.822 -1.576 -1.576 31 HA ALA 7 HA ALA 7 -2.308 0.876 0.876 32 1HB ALA 7 1HB ALA 7 -1.760 -1.002 -1.002 33 2HB ALA 7 2HB ALA 7 -3.298 -0.781 -0.781 34 3HB ALA 7 3HB ALA 7 -2.053 0.490 0.490 35 H ALA 8 H ALA 8 -5.562 -0.011 -0.011 36 HA ALA 8 HA ALA 8 -6.126 2.522 2.522 37 1HB ALA 8 3HB ALA 8 -7.348 0.382 0.382 38 2HB ALA 8 1HB ALA 8 -8.102 0.538 0.538 39 3HB ALA 8 2HB ALA 8 -8.411 1.755 1.755 40 H GLN 9 H GLN 9 -6.245 1.402 1.402 41 HA GLN 9 HA GLN 9 -7.760 3.694 3.694 42 1HB GLN 9 1HB GLN 9 -7.771 1.169 1.169 43 2HB GLN 9 2HB GLN 9 -6.402 1.683 1.683 44 1HG GLN 9 1HG GLN 9 -7.874 3.436 3.436 45 2HG GLN 9 2HG GLN 9 -9.158 3.018 3.018 46 1HE2 GLN 9 2HE2 GLN 9 -9.837 -0.172 -0.172 47 2HE2 GLN 9 1HE2 GLN 9 -9.282 0.187 0.187 48 H CYS 10 H CYS 10 -4.565 3.249 3.249 49 HA CYS 10 HA CYS 10 -2.682 4.385 4.385 50 1HB CYS 10 1HB CYS 10 -4.650 6.607 6.607 51 2HB CYS 10 2HB CYS 10 -2.915 6.845 6.845 52 H SER 11 H SER 11 -2.941 2.556 2.556 53 HA SER 11 HA SER 11 -1.831 3.912 3.912 54 1HB SER 11 1HB SER 11 -4.188 3.447 3.447 55 2HB SER 11 2HB SER 11 -4.058 1.823 1.823 56 HG SER 11 HG SER 11 -3.825 2.189 2.189 57 H ILE 12 H ILE 12 -0.103 3.205 3.205 58 HA ILE 12 HA ILE 12 1.322 0.943 0.943 59 HB ILE 12 HB ILE 12 1.807 2.714 2.714 60 1HG1 ILE 12 1HG1 ILE 12 1.526 4.165 4.165 61 2HG1 ILE 12 2HG1 ILE 12 3.233 3.949 3.949 62 1HG2 ILE 12 1HG2 ILE 12 3.710 0.968 0.968 63 2HG2 ILE 12 2HG2 ILE 12 4.184 2.141 2.141 64 3HG2 ILE 12 3HG2 ILE 12 3.214 0.732 0.732 65 1HD1 ILE 12 2HD1 ILE 12 3.146 2.161 2.161 66 2HD1 ILE 12 3HD1 ILE 12 1.511 2.754 2.754 67 3HD1 ILE 12 1HD1 ILE 12 2.882 3.841 3.841 68 H THR 13 H THR 13 -0.682 1.744 1.744 69 HA THR 13 HA THR 13 0.081 -0.441 -0.441 70 HB THR 13 HB THR 13 -2.573 1.064 1.064 71 HG1 THR 13 1HG THR 13 -0.059 2.109 2.109 72 1HG2 THR 13 2HG2 THR 13 -2.104 -0.604 -0.604 73 2HG2 THR 13 3HG2 THR 13 -0.601 0.253 0.253 74 3HG2 THR 13 1HG2 THR 13 -2.178 1.048 1.048 75 H LEU 14 H LEU 14 -2.500 0.110 0.110 76 HA LEU 14 HA LEU 14 -3.509 -2.651 -2.651 77 1HB LEU 14 1HB LEU 14 -4.125 -0.362 -0.362 78 2HB LEU 14 2HB LEU 14 -4.700 -1.979 -1.979 79 HG LEU 14 HG LEU 14 -5.138 -1.002 -1.002 80 1HD1 LEU 14 1HD1 LEU 14 -6.574 0.266 0.266 81 2HD1 LEU 14 2HD1 LEU 14 -7.166 0.294 0.294 82 3HD1 LEU 14 3HD1 LEU 14 -5.654 1.104 1.104 83 1HD2 LEU 14 2HD2 LEU 14 -5.925 -3.151 -3.151 84 2HD2 LEU 14 3HD2 LEU 14 -7.270 -2.119 -2.119 85 3HD2 LEU 14 1HD2 LEU 14 -6.897 -2.230 -2.230 86 H CYS 15 H CYS 15 -1.245 -0.918 -0.918 87 HA CYS 15 HA CYS 15 -0.875 -2.911 -2.911 88 1HB CYS 15 1HB CYS 15 1.266 -1.117 -1.117 89 2HB CYS 15 2HB CYS 15 1.580 -2.248 -2.248 90 H ASN 16 H ASN 16 1.108 -2.513 -2.513 91 HA ASN 16 HA ASN 16 2.410 -5.011 -5.011 92 1HB ASN 16 1HB ASN 16 1.947 -3.629 -3.629 93 2HB ASN 16 2HB ASN 16 3.266 -4.732 -4.732 94 1HD2 ASN 16 2HD2 ASN 16 4.452 -1.137 -1.137 95 2HD2 ASN 16 1HD2 ASN 16 3.603 -2.178 -2.178 96 H LEU 17 H LEU 17 -0.766 -4.374 -4.374 97 HA LEU 17 HA LEU 17 -0.959 -6.446 -6.446 98 1HB LEU 17 1HB LEU 17 -2.435 -4.400 -4.400 99 2HB LEU 17 2HB LEU 17 -3.281 -5.409 -5.409 100 HG LEU 17 HG LEU 17 -4.295 -5.030 -5.030 101 1HD1 LEU 17 2HD1 LEU 17 -3.838 -7.909 -7.909 102 2HD1 LEU 17 3HD1 LEU 17 -5.093 -7.337 -7.337 103 3HD1 LEU 17 1HD1 LEU 17 -5.074 -6.762 -6.762 104 1HD2 LEU 17 2HD2 LEU 17 -2.041 -5.282 -5.282 105 2HD2 LEU 17 3HD2 LEU 17 -3.479 -6.011 -6.011 106 3HD2 LEU 17 1HD2 LEU 17 -2.317 -7.025 -7.025 107 H TYR 18 H TYR 18 -1.301 -6.502 -6.502 108 HA TYR 18 HA TYR 18 -1.268 -9.479 -9.479 109 1HB TYR 18 1HB TYR 18 -3.325 -7.708 -7.708 110 2HB TYR 18 2HB TYR 18 -3.061 -9.379 -9.379 111 HD1 TYR 18 1HD TYR 18 -2.930 -11.045 -11.045 112 HD2 TYR 18 2HD TYR 18 -5.171 -7.379 -7.379 113 HE1 TYR 18 1HE TYR 18 -4.449 -11.835 -11.835 114 HE2 TYR 18 2HE TYR 18 -6.796 -8.253 -8.253 115 HH TYR 18 HH TYR 18 -7.238 -9.881 -9.881 116 H CYS 19 H CYS 19 0.107 -6.673 -6.673 117 HA CYS 19 HA CYS 19 -0.114 -7.836 -7.836 118 1HB CYS 19 1HB CYS 19 1.474 -5.508 -5.508 119 2HB CYS 19 2HB CYS 19 1.637 -6.133 -6.133 120 H GLY 20 H GLY 20 2.176 -8.468 -8.468 121 1HA GLY 20 1HA GLY 20 4.112 -9.682 -9.682 122 2HA GLY 20 2HA GLY 20 3.362 -10.617 -10.617 123 HA PRO 21 HA PRO 21 7.065 -8.788 -8.788 124 1HB PRO 21 1HB PRO 21 6.591 -9.755 -9.755 125 2HB PRO 21 2HB PRO 21 7.473 -10.619 -10.619 126 1HG PRO 21 1HG PRO 21 4.656 -11.017 -11.017 127 2HG PRO 21 2HG PRO 21 5.793 -12.224 -12.224 128 1HD PRO 21 1HD PRO 21 3.751 -11.147 -11.147 129 2HD PRO 21 2HD PRO 21 5.274 -11.741 -11.741 130 H LEU 22 H LEU 22 3.750 -8.572 -8.572 131 HA LEU 22 HA LEU 22 4.370 -6.364 -6.364 132 1HB LEU 22 1HB LEU 22 1.701 -7.126 -7.126 133 2HB LEU 22 2HB LEU 22 2.005 -6.233 -6.233 134 HG LEU 22 HG LEU 22 1.435 -8.206 -8.206 135 1HD1 LEU 22 3HD1 LEU 22 3.668 -7.713 -7.713 136 2HD1 LEU 22 1HD1 LEU 22 4.368 -8.893 -8.893 137 3HD1 LEU 22 2HD1 LEU 22 3.214 -9.420 -9.420 138 1HD2 LEU 22 2HD2 LEU 22 1.022 -9.418 -9.418 139 2HD2 LEU 22 3HD2 LEU 22 1.666 -10.415 -10.415 140 3HD2 LEU 22 1HD2 LEU 22 2.706 -9.971 -9.971 141 H ILE 23 H ILE 23 4.359 -6.491 -6.491 142 HA ILE 23 HA ILE 23 3.255 -4.030 -4.030 143 HB ILE 23 HB ILE 23 5.755 -5.525 -5.525 144 1HG1 ILE 23 1HG1 ILE 23 3.112 -4.859 -4.859 145 2HG1 ILE 23 2HG1 ILE 23 3.383 -6.349 -6.349 146 1HG2 ILE 23 1HG2 ILE 23 4.682 -2.940 -2.940 147 2HG2 ILE 23 2HG2 ILE 23 5.876 -4.010 -4.010 148 3HG2 ILE 23 3HG2 ILE 23 6.283 -3.196 -3.196 149 1HD1 ILE 23 3HD1 ILE 23 5.325 -6.861 -6.861 150 2HD1 ILE 23 1HD1 ILE 23 4.730 -5.537 -5.537 151 3HD1 ILE 23 2HD1 ILE 23 3.699 -6.935 -6.935 152 H GLU 24 H GLU 24 6.261 -4.732 -4.732 153 HA GLU 24 HA GLU 24 7.138 -2.019 -2.019 154 1HB GLU 24 1HB GLU 24 8.677 -3.874 -3.874 155 2HB GLU 24 2HB GLU 24 7.965 -4.317 -4.317 156 1HG GLU 24 1HG GLU 24 9.148 -1.557 -1.557 157 2HG GLU 24 2HG GLU 24 10.219 -2.944 -2.944 158 H ILE 25 H ILE 25 5.960 -3.536 -3.536 159 HA ILE 25 HA ILE 25 5.445 -1.109 -1.109 160 HB ILE 25 HB ILE 25 3.899 -3.709 -3.709 161 1HG1 ILE 25 1HG1 ILE 25 6.184 -3.824 -3.824 162 2HG1 ILE 25 2HG1 ILE 25 4.977 -4.021 -4.021 163 1HG2 ILE 25 2HG2 ILE 25 3.417 -1.199 -1.199 164 2HG2 ILE 25 3HG2 ILE 25 2.947 -2.806 -2.806 165 3HG2 ILE 25 1HG2 ILE 25 2.245 -2.158 -2.158 166 1HD1 ILE 25 3HD1 ILE 25 5.303 -1.613 -1.613 167 2HD1 ILE 25 1HD1 ILE 25 6.656 -1.537 -1.537 168 3HD1 ILE 25 2HD1 ILE 25 6.706 -2.654 -2.654 169 H CYS 26 H CYS 26 3.613 -2.489 -2.489 170 HA CYS 26 HA CYS 26 1.221 -0.904 -0.904 171 1HB CYS 26 1HB CYS 26 1.373 -2.982 -2.982 172 2HB CYS 26 2HB CYS 26 2.250 -2.123 -2.123 173 H GLU 27 H GLU 27 4.135 -0.673 -0.673 174 HA GLU 27 HA GLU 27 3.347 1.857 1.857 175 1HB GLU 27 1HB GLU 27 4.887 0.303 0.303 176 2HB GLU 27 2HB GLU 27 6.107 0.589 0.589 177 1HG GLU 27 1HG GLU 27 6.317 2.884 2.884 178 2HG GLU 27 2HG GLU 27 4.850 2.888 2.888 179 H LEU 28 H LEU 28 5.339 0.873 0.873 180 HA LEU 28 HA LEU 28 6.277 3.381 3.381 181 1HB LEU 28 1HB LEU 28 6.569 0.845 0.845 182 2HB LEU 28 2HB LEU 28 5.647 1.558 1.558 183 HG LEU 28 HG LEU 28 7.855 3.287 3.287 184 1HD1 LEU 28 1HD1 LEU 28 8.506 0.621 0.621 185 2HD1 LEU 28 2HD1 LEU 28 9.653 1.955 1.955 186 3HD1 LEU 28 3HD1 LEU 28 8.829 1.154 1.154 187 1HD2 LEU 28 1HD2 LEU 28 6.599 3.726 3.726 188 2HD2 LEU 28 2HD2 LEU 28 8.341 3.536 3.536 189 3HD2 LEU 28 3HD2 LEU 28 7.239 2.207 2.207 190 H THR 29 H THR 29 3.307 1.708 1.708 191 HA THR 29 HA THR 29 2.397 3.842 3.842 192 HB THR 29 HB THR 29 0.801 1.672 1.672 193 HG1 THR 29 1HG THR 29 2.320 0.812 0.812 194 1HG2 THR 29 2HG2 THR 29 0.103 3.537 3.537 195 2HG2 THR 29 3HG2 THR 29 -0.838 2.098 2.098 196 3HG2 THR 29 1HG2 THR 29 -0.692 3.447 3.447 197 H VAL 30 H VAL 30 1.745 3.045 3.045 198 HA VAL 30 HA VAL 30 -0.066 5.227 5.227 199 HB VAL 30 HB VAL 30 1.654 3.801 3.801 200 1HG1 VAL 30 1HG1 VAL 30 -0.737 5.674 5.674 201 2HG1 VAL 30 2HG1 VAL 30 0.007 4.733 4.733 202 3HG1 VAL 30 3HG1 VAL 30 0.916 6.017 6.017 203 1HG2 VAL 30 2HG2 VAL 30 -1.207 3.445 3.445 204 2HG2 VAL 30 3HG2 VAL 30 0.052 2.238 2.238 205 3HG2 VAL 30 1HG2 VAL 30 -0.634 2.750 2.750 206 H MET 31 H MET 31 3.532 5.098 5.098 207 HA MET 31 HA MET 31 3.880 7.801 7.801 208 1HB MET 31 1HB MET 31 5.557 5.729 5.729 209 2HB MET 31 2HB MET 31 5.757 6.515 6.515 210 1HG MET 31 1HG MET 31 6.354 8.634 8.634 211 2HG MET 31 2HG MET 31 6.167 7.808 7.808 212 1HE MET 31 1HE MET 31 8.718 9.432 9.432 213 2HE MET 31 2HE MET 31 8.544 8.529 8.529 214 3HE MET 31 3HE MET 31 10.007 8.327 8.327 215 H GLN 32 H GLN 32 3.618 6.259 6.259 216 HA GLN 32 HA GLN 32 4.017 8.421 8.421 217 1HB GLN 32 1HB GLN 32 3.807 5.900 5.900 218 2HB GLN 32 2HB GLN 32 2.097 6.266 6.266 219 1HG GLN 32 1HG GLN 32 2.583 7.554 7.554 220 2HG GLN 32 2HG GLN 32 4.262 7.837 7.837 221 1HE2 GLN 32 2HE2 GLN 32 3.397 4.197 4.197 222 2HE2 GLN 32 1HE2 GLN 32 2.066 5.215 5.215 223 H ASN 33 H ASN 33 0.911 7.289 7.289 224 HA ASN 33 HA ASN 33 -0.458 9.608 9.608 225 1HB ASN 33 1HB ASN 33 -2.399 8.216 8.216 226 2HB ASN 33 2HB ASN 33 -2.158 8.360 8.360 227 1HD2 ASN 33 2HD2 ASN 33 -1.738 4.798 4.798 228 2HD2 ASN 33 1HD2 ASN 33 -1.617 6.239 6.239 229 H CYS 34 H CYS 34 0.723 8.759 8.759 230 HA CYS 34 HA CYS 34 -0.984 10.840 10.840 231 1HB CYS 34 1HB CYS 34 -0.859 7.857 7.857 232 2HB CYS 34 2HB CYS 34 -1.427 8.993 8.993 233 H GLU 35 H GLU 35 -0.251 10.866 10.866 234 HA GLU 35 HA GLU 35 2.717 10.967 10.967 235 1HB GLU 35 1HB GLU 35 0.369 12.602 12.602 236 2HB GLU 35 2HB GLU 35 1.722 12.542 12.542 237 1HG GLU 35 1HG GLU 35 2.147 13.106 13.106 238 2HG GLU 35 2HG GLU 35 1.634 14.384 14.384 239 HA PRO 36 HA PRO 36 1.532 7.735 7.735 240 1HB PRO 36 1HB PRO 36 3.410 5.827 5.827 241 2HB PRO 36 2HB PRO 36 1.833 5.987 5.987 242 1HG PRO 36 1HG PRO 36 4.560 7.040 7.040 243 2HG PRO 36 2HG PRO 36 3.392 6.139 6.139 244 1HD PRO 36 1HD PRO 36 3.579 8.879 8.879 245 2HD PRO 36 2HD PRO 36 2.009 8.044 8.044 246 HA PRO 37 HA PRO 37 2.655 5.878 5.878 247 1HB PRO 37 1HB PRO 37 2.704 5.959 5.959 248 2HB PRO 37 2HB PRO 37 4.083 5.415 5.415 249 1HG PRO 37 1HG PRO 37 3.642 8.162 8.162 250 2HG PRO 37 2HG PRO 37 5.122 7.162 7.162 251 1HD PRO 37 1HD PRO 37 4.803 9.150 9.150 252 2HD PRO 37 2HD PRO 37 5.627 7.624 7.624 253 H PHE 38 H PHE 38 0.401 5.711 5.711 254 HA PHE 38 HA PHE 38 -1.309 7.866 7.866 255 1HB PHE 38 1HB PHE 38 -1.740 5.894 5.894 256 2HB PHE 38 2HB PHE 38 -1.442 4.861 4.861 257 HD1 PHE 38 2HD PHE 38 -3.857 6.879 6.879 258 HD2 PHE 38 1HD PHE 38 -3.048 4.434 4.434 259 HE1 PHE 38 2HE PHE 38 -6.250 6.219 6.219 260 HE2 PHE 38 1HE PHE 38 -5.467 3.826 3.826 261 1HZ PHE 38 HZ PHE 38 -7.031 4.602 4.602 262 H SER 39 H SER 39 -2.561 8.656 8.656 263 HA SER 39 HA SER 39 -2.669 7.335 7.335 264 1HB SER 39 1HB SER 39 -2.338 10.315 10.315 265 2HB SER 39 2HB SER 39 -3.064 9.697 9.697 266 HG SER 39 HG SER 39 -1.092 8.433 8.433 Start of MODEL 2 1 HA ASP 1 HA ASP 1 -7.822 -9.314 -9.314 2 1HB ASP 1 1HB ASP 1 -5.365 -9.486 -9.486 3 2HB ASP 1 2HB ASP 1 -5.955 -10.098 -10.098 4 H GLU 2 H GLU 2 -6.608 -8.615 -8.615 5 HA GLU 2 HA GLU 2 -7.562 -5.932 -5.932 6 1HB GLU 2 1HB GLU 2 -6.095 -7.928 -7.928 7 2HB GLU 2 2HB GLU 2 -6.709 -6.368 -6.368 8 1HG GLU 2 1HG GLU 2 -8.546 -8.483 -8.483 9 2HG GLU 2 2HG GLU 2 -8.222 -8.278 -8.278 10 H CYS 3 H CYS 3 -4.642 -7.121 -7.121 11 HA CYS 3 HA CYS 3 -2.897 -5.232 -5.232 12 1HB CYS 3 1HB CYS 3 -1.977 -7.318 -7.318 13 2HB CYS 3 2HB CYS 3 -2.489 -6.893 -6.893 14 H ALA 4 H ALA 4 -4.496 -5.525 -5.525 15 HA ALA 4 HA ALA 4 -3.960 -2.923 -2.923 16 1HB ALA 4 1HB ALA 4 -4.872 -4.792 -4.792 17 2HB ALA 4 2HB ALA 4 -6.386 -4.730 -4.730 18 3HB ALA 4 3HB ALA 4 -5.922 -3.362 -3.362 19 H ASN 5 H ASN 5 -6.607 -4.203 -4.203 20 HA ASN 5 HA ASN 5 -8.091 -1.788 -1.788 21 1HB ASN 5 1HB ASN 5 -8.797 -4.074 -4.074 22 2HB ASN 5 2HB ASN 5 -7.690 -3.827 -3.827 23 1HD2 ASN 5 2HD2 ASN 5 -10.948 -2.965 -2.965 24 2HD2 ASN 5 1HD2 ASN 5 -10.017 -4.391 -4.391 25 H ALA 6 H ALA 6 -5.357 -2.983 -2.983 26 HA ALA 6 HA ALA 6 -5.197 -0.819 -0.819 27 1HB ALA 6 3HB ALA 6 -3.933 -2.949 -2.949 28 2HB ALA 6 1HB ALA 6 -2.941 -2.541 -2.541 29 3HB ALA 6 2HB ALA 6 -2.878 -1.501 -1.501 30 H ALA 7 H ALA 7 -3.622 -1.312 -1.312 31 HA ALA 7 HA ALA 7 -2.263 1.184 1.184 32 1HB ALA 7 2HB ALA 7 -1.746 -0.668 -0.668 33 2HB ALA 7 3HB ALA 7 -3.325 -0.469 -0.469 34 3HB ALA 7 1HB ALA 7 -2.117 0.828 0.828 35 H ALA 8 H ALA 8 -5.604 0.280 0.280 36 HA ALA 8 HA ALA 8 -6.306 2.778 2.778 37 1HB ALA 8 1HB ALA 8 -7.602 0.711 0.711 38 2HB ALA 8 2HB ALA 8 -8.164 0.763 0.763 39 3HB ALA 8 3HB ALA 8 -8.610 2.058 2.058 40 H GLN 9 H GLN 9 -6.546 1.523 1.523 41 HA GLN 9 HA GLN 9 -7.657 3.993 3.993 42 1HB GLN 9 1HB GLN 9 -7.897 1.771 1.771 43 2HB GLN 9 2HB GLN 9 -6.158 1.769 1.769 44 1HG GLN 9 1HG GLN 9 -6.363 3.737 3.737 45 2HG GLN 9 2HG GLN 9 -8.014 4.024 4.024 46 1HE2 GLN 9 2HE2 GLN 9 -7.480 1.825 1.825 47 2HE2 GLN 9 1HE2 GLN 9 -6.263 2.880 2.880 48 H CYS 10 H CYS 10 -4.486 2.889 2.889 49 HA CYS 10 HA CYS 10 -2.536 3.935 3.935 50 1HB CYS 10 1HB CYS 10 -4.084 5.886 5.886 51 2HB CYS 10 2HB CYS 10 -3.653 6.605 6.605 52 H SER 11 H SER 11 -2.912 2.411 2.411 53 HA SER 11 HA SER 11 -1.698 3.842 3.842 54 1HB SER 11 1HB SER 11 -4.146 3.293 3.293 55 2HB SER 11 2HB SER 11 -3.870 1.647 1.647 56 HG SER 11 HG SER 11 -3.436 2.708 2.708 57 H ILE 12 H ILE 12 0.115 3.194 3.194 58 HA ILE 12 HA ILE 12 1.473 0.835 0.835 59 HB ILE 12 HB ILE 12 1.763 2.682 2.682 60 1HG1 ILE 12 1HG1 ILE 12 1.881 4.044 4.044 61 2HG1 ILE 12 2HG1 ILE 12 3.541 3.688 3.688 62 1HG2 ILE 12 3HG2 ILE 12 3.728 0.713 0.713 63 2HG2 ILE 12 1HG2 ILE 12 4.139 1.975 1.975 64 3HG2 ILE 12 2HG2 ILE 12 3.017 0.696 0.696 65 1HD1 ILE 12 2HD1 ILE 12 3.562 1.899 1.899 66 2HD1 ILE 12 3HD1 ILE 12 1.985 2.535 2.535 67 3HD1 ILE 12 1HD1 ILE 12 3.413 3.570 3.570 68 H THR 13 H THR 13 -0.775 1.561 1.561 69 HA THR 13 HA THR 13 0.005 -0.711 -0.711 70 HB THR 13 HB THR 13 -2.685 0.740 0.740 71 HG1 THR 13 1HG THR 13 -0.100 1.546 1.546 72 1HG2 THR 13 2HG2 THR 13 -2.387 -1.166 -1.166 73 2HG2 THR 13 3HG2 THR 13 -0.923 -0.383 -0.383 74 3HG2 THR 13 1HG2 THR 13 -2.513 0.394 0.394 75 H LEU 14 H LEU 14 -2.722 -0.039 -0.039 76 HA LEU 14 HA LEU 14 -3.659 -2.801 -2.801 77 1HB LEU 14 1HB LEU 14 -4.089 -0.520 -0.520 78 2HB LEU 14 2HB LEU 14 -4.878 -2.085 -2.085 79 HG LEU 14 HG LEU 14 -5.315 0.274 0.274 80 1HD1 LEU 14 3HD1 LEU 14 -7.124 -1.778 -1.778 81 2HD1 LEU 14 1HD1 LEU 14 -7.694 -0.367 -0.367 82 3HD1 LEU 14 2HD1 LEU 14 -6.766 -0.153 -0.153 83 1HD2 LEU 14 1HD2 LEU 14 -5.881 -2.593 -2.593 84 2HD2 LEU 14 2HD2 LEU 14 -4.881 -1.411 -1.411 85 3HD2 LEU 14 3HD2 LEU 14 -6.641 -1.170 -1.170 86 H CYS 15 H CYS 15 -1.178 -1.082 -1.082 87 HA CYS 15 HA CYS 15 -0.873 -3.118 -3.118 88 1HB CYS 15 1HB CYS 15 1.259 -1.309 -1.309 89 2HB CYS 15 2HB CYS 15 1.552 -2.430 -2.430 90 H ASN 16 H ASN 16 1.001 -2.572 -2.572 91 HA ASN 16 HA ASN 16 2.319 -5.048 -5.048 92 1HB ASN 16 1HB ASN 16 1.719 -3.476 -3.476 93 2HB ASN 16 2HB ASN 16 3.063 -4.593 -4.593 94 1HD2 ASN 16 2HD2 ASN 16 4.262 -1.024 -1.024 95 2HD2 ASN 16 1HD2 ASN 16 3.279 -1.803 -1.803 96 H LEU 17 H LEU 17 -0.888 -4.270 -4.270 97 HA LEU 17 HA LEU 17 -1.352 -6.454 -6.454 98 1HB LEU 17 1HB LEU 17 -2.835 -4.451 -4.451 99 2HB LEU 17 2HB LEU 17 -3.456 -5.567 -5.567 100 HG LEU 17 HG LEU 17 -4.938 -5.502 -5.502 101 1HD1 LEU 17 3HD1 LEU 17 -4.399 -7.852 -7.852 102 2HD1 LEU 17 1HD1 LEU 17 -3.283 -7.952 -7.952 103 3HD1 LEU 17 2HD1 LEU 17 -5.011 -7.696 -7.696 104 1HD2 LEU 17 1HD2 LEU 17 -3.509 -4.291 -4.291 105 2HD2 LEU 17 2HD2 LEU 17 -4.307 -5.646 -5.646 106 3HD2 LEU 17 3HD2 LEU 17 -2.605 -5.774 -5.774 107 H TYR 18 H TYR 18 -1.359 -6.432 -6.432 108 HA TYR 18 HA TYR 18 -1.544 -9.433 -9.433 109 1HB TYR 18 1HB TYR 18 -3.272 -7.441 -7.441 110 2HB TYR 18 2HB TYR 18 -3.185 -9.132 -9.132 111 HD1 TYR 18 1HD TYR 18 -3.340 -10.768 -10.768 112 HD2 TYR 18 2HD TYR 18 -5.260 -6.962 -6.962 113 HE1 TYR 18 1HE TYR 18 -5.270 -11.509 -11.509 114 HE2 TYR 18 2HE TYR 18 -7.236 -7.760 -7.760 115 HH TYR 18 HH TYR 18 -7.975 -9.418 -9.418 116 H CYS 19 H CYS 19 0.200 -6.833 -6.833 117 HA CYS 19 HA CYS 19 0.051 -7.900 -7.900 118 1HB CYS 19 1HB CYS 19 1.578 -5.649 -5.649 119 2HB CYS 19 2HB CYS 19 1.815 -6.139 -6.139 120 H GLY 20 H GLY 20 2.301 -8.480 -8.480 121 1HA GLY 20 1HA GLY 20 4.287 -9.562 -9.562 122 2HA GLY 20 2HA GLY 20 3.654 -10.613 -10.613 123 HA PRO 21 HA PRO 21 7.244 -8.757 -8.757 124 1HB PRO 21 1HB PRO 21 7.002 -9.860 -9.860 125 2HB PRO 21 2HB PRO 21 7.526 -10.808 -10.808 126 1HG PRO 21 1HG PRO 21 4.724 -10.632 -10.632 127 2HG PRO 21 2HG PRO 21 5.636 -12.114 -12.114 128 1HD PRO 21 1HD PRO 21 3.830 -11.046 -11.046 129 2HD PRO 21 2HD PRO 21 5.345 -11.765 -11.765 130 H LEU 22 H LEU 22 3.872 -8.669 -8.669 131 HA LEU 22 HA LEU 22 4.305 -6.595 -6.595 132 1HB LEU 22 1HB LEU 22 1.726 -7.279 -7.279 133 2HB LEU 22 2HB LEU 22 1.914 -6.443 -6.443 134 HG LEU 22 HG LEU 22 2.527 -9.383 -9.383 135 1HD1 LEU 22 2HD1 LEU 22 0.134 -8.824 -8.824 136 2HD1 LEU 22 3HD1 LEU 22 0.337 -8.040 -8.040 137 3HD1 LEU 22 1HD1 LEU 22 0.603 -9.790 -9.790 138 1HD2 LEU 22 1HD2 LEU 22 2.850 -7.703 -7.703 139 2HD2 LEU 22 2HD2 LEU 22 4.088 -8.688 -8.688 140 3HD2 LEU 22 3HD2 LEU 22 2.749 -9.470 -9.470 141 H ILE 23 H ILE 23 4.543 -6.497 -6.497 142 HA ILE 23 HA ILE 23 3.293 -4.051 -4.051 143 HB ILE 23 HB ILE 23 5.867 -5.279 -5.279 144 1HG1 ILE 23 1HG1 ILE 23 3.138 -4.904 -4.904 145 2HG1 ILE 23 2HG1 ILE 23 3.582 -6.366 -6.366 146 1HG2 ILE 23 1HG2 ILE 23 4.370 -2.823 -2.823 147 2HG2 ILE 23 2HG2 ILE 23 5.664 -3.650 -3.650 148 3HG2 ILE 23 3HG2 ILE 23 6.031 -2.854 -2.854 149 1HD1 ILE 23 1HD1 ILE 23 5.531 -6.664 -6.664 150 2HD1 ILE 23 2HD1 ILE 23 4.834 -5.356 -5.356 151 3HD1 ILE 23 3HD1 ILE 23 3.928 -6.843 -6.843 152 H GLU 24 H GLU 24 6.301 -4.749 -4.749 153 HA GLU 24 HA GLU 24 7.121 -2.023 -2.023 154 1HB GLU 24 1HB GLU 24 8.599 -4.042 -4.042 155 2HB GLU 24 2HB GLU 24 7.683 -4.363 -4.363 156 1HG GLU 24 1HG GLU 24 8.592 -1.624 -1.624 157 2HG GLU 24 2HG GLU 24 9.942 -2.603 -2.603 158 H ILE 25 H ILE 25 5.618 -3.791 -3.791 159 HA ILE 25 HA ILE 25 5.137 -1.407 -1.407 160 HB ILE 25 HB ILE 25 3.685 -4.072 -4.072 161 1HG1 ILE 25 1HG1 ILE 25 5.974 -3.968 -3.968 162 2HG1 ILE 25 2HG1 ILE 25 4.697 -4.496 -4.496 163 1HG2 ILE 25 3HG2 ILE 25 2.996 -1.733 -1.733 164 2HG2 ILE 25 1HG2 ILE 25 2.527 -3.417 -3.417 165 3HG2 ILE 25 2HG2 ILE 25 1.929 -2.597 -2.597 166 1HD1 ILE 25 3HD1 ILE 25 5.800 -1.668 -1.668 167 2HD1 ILE 25 1HD1 ILE 25 6.303 -2.992 -2.992 168 3HD1 ILE 25 2HD1 ILE 25 4.639 -2.417 -2.417 169 H CYS 26 H CYS 26 3.428 -2.655 -2.655 170 HA CYS 26 HA CYS 26 1.045 -1.053 -1.053 171 1HB CYS 26 1HB CYS 26 1.265 -3.094 -3.094 172 2HB CYS 26 2HB CYS 26 2.152 -2.190 -2.190 173 H GLU 27 H GLU 27 4.076 -0.771 -0.771 174 HA GLU 27 HA GLU 27 3.507 1.745 1.745 175 1HB GLU 27 1HB GLU 27 5.173 0.040 0.040 176 2HB GLU 27 2HB GLU 27 6.182 0.438 0.438 177 1HG GLU 27 1HG GLU 27 6.515 2.695 2.695 178 2HG GLU 27 2HG GLU 27 5.338 2.432 2.432 179 H LEU 28 H LEU 28 5.093 0.733 0.733 180 HA LEU 28 HA LEU 28 5.870 3.369 3.369 181 1HB LEU 28 1HB LEU 28 5.892 0.588 0.588 182 2HB LEU 28 2HB LEU 28 5.705 1.764 1.764 183 HG LEU 28 HG LEU 28 8.017 1.085 1.085 184 1HD1 LEU 28 2HD1 LEU 28 7.482 3.304 3.304 185 2HD1 LEU 28 3HD1 LEU 28 7.609 4.056 4.056 186 3HD1 LEU 28 1HD1 LEU 28 9.027 3.281 3.281 187 1HD2 LEU 28 1HD2 LEU 28 7.905 0.805 0.805 188 2HD2 LEU 28 2HD2 LEU 28 9.245 1.863 1.863 189 3HD2 LEU 28 3HD2 LEU 28 7.787 2.563 2.563 190 H THR 29 H THR 29 2.932 1.477 1.477 191 HA THR 29 HA THR 29 1.795 3.467 3.467 192 HB THR 29 HB THR 29 0.392 1.513 1.513 193 HG1 THR 29 1HG THR 29 1.798 0.526 0.526 194 1HG2 THR 29 1HG2 THR 29 -0.536 3.148 3.148 195 2HG2 THR 29 2HG2 THR 29 -1.476 1.823 1.823 196 3HG2 THR 29 3HG2 THR 29 -1.114 3.269 3.269 197 H VAL 30 H VAL 30 1.631 2.894 2.894 198 HA VAL 30 HA VAL 30 -0.159 4.961 4.961 199 HB VAL 30 HB VAL 30 2.088 3.753 3.753 200 1HG1 VAL 30 2HG1 VAL 30 1.531 6.082 6.082 201 2HG1 VAL 30 3HG1 VAL 30 -0.055 5.370 5.370 202 3HG1 VAL 30 1HG1 VAL 30 1.395 4.668 4.668 203 1HG2 VAL 30 1HG2 VAL 30 -0.588 2.903 2.903 204 2HG2 VAL 30 2HG2 VAL 30 0.629 2.110 2.110 205 3HG2 VAL 30 3HG2 VAL 30 -0.504 3.204 3.204 206 H MET 31 H MET 31 3.415 5.097 5.097 207 HA MET 31 HA MET 31 3.866 7.787 7.787 208 1HB MET 31 1HB MET 31 5.220 5.553 5.553 209 2HB MET 31 2HB MET 31 5.855 7.042 7.042 210 1HG MET 31 1HG MET 31 6.399 7.880 7.880 211 2HG MET 31 2HG MET 31 5.350 6.745 6.745 212 1HE MET 31 2HE MET 31 8.703 7.023 7.023 213 2HE MET 31 3HE MET 31 9.369 5.392 5.392 214 3HE MET 31 1HE MET 31 7.912 5.614 5.614 215 H GLN 32 H GLN 32 2.732 6.121 6.121 216 HA GLN 32 HA GLN 32 3.286 8.314 8.314 217 1HB GLN 32 1HB GLN 32 2.718 5.550 5.550 218 2HB GLN 32 2HB GLN 32 1.352 6.297 6.297 219 1HG GLN 32 1HG GLN 32 3.194 5.882 5.882 220 2HG GLN 32 2HG GLN 32 2.922 7.619 7.619 221 1HE2 GLN 32 2HE2 GLN 32 6.160 6.613 6.613 222 2HE2 GLN 32 1HE2 GLN 32 4.679 5.725 5.725 223 H ASN 33 H ASN 33 0.700 7.741 7.741 224 HA ASN 33 HA ASN 33 -0.951 9.833 9.833 225 1HB ASN 33 1HB ASN 33 -2.225 8.468 8.468 226 2HB ASN 33 2HB ASN 33 -2.889 8.998 8.998 227 1HD2 ASN 33 2HD2 ASN 33 -1.895 5.234 5.234 228 2HD2 ASN 33 1HD2 ASN 33 -0.737 6.463 6.463 229 H CYS 34 H CYS 34 0.274 8.679 8.679 230 HA CYS 34 HA CYS 34 -0.509 11.172 11.172 231 1HB CYS 34 1HB CYS 34 -1.775 9.901 9.901 232 2HB CYS 34 2HB CYS 34 -2.151 9.081 9.081 233 H GLU 35 H GLU 35 0.430 11.206 11.206 234 HA GLU 35 HA GLU 35 3.268 10.357 10.357 235 1HB GLU 35 1HB GLU 35 2.440 12.816 12.816 236 2HB GLU 35 2HB GLU 35 2.262 12.276 12.276 237 1HG GLU 35 1HG GLU 35 4.453 13.058 13.058 238 2HG GLU 35 2HG GLU 35 4.720 11.350 11.350 239 HA PRO 36 HA PRO 36 1.871 7.596 7.596 240 1HB PRO 36 1HB PRO 36 3.847 5.689 5.689 241 2HB PRO 36 2HB PRO 36 2.436 5.821 5.821 242 1HG PRO 36 1HG PRO 36 5.288 6.815 6.815 243 2HG PRO 36 2HG PRO 36 4.302 5.888 5.888 244 1HD PRO 36 1HD PRO 36 4.585 8.652 8.652 245 2HD PRO 36 2HD PRO 36 3.134 7.817 7.817 246 HA PRO 37 HA PRO 37 2.861 5.639 5.639 247 1HB PRO 37 1HB PRO 37 2.830 5.450 5.450 248 2HB PRO 37 2HB PRO 37 4.267 5.060 5.060 249 1HG PRO 37 1HG PRO 37 3.716 7.641 7.641 250 2HG PRO 37 2HG PRO 37 5.206 6.659 6.659 251 1HD PRO 37 1HD PRO 37 4.889 8.857 8.857 252 2HD PRO 37 2HD PRO 37 5.790 7.415 7.415 253 H PHE 38 H PHE 38 0.587 5.637 5.637 254 HA PHE 38 HA PHE 38 -1.047 7.802 7.802 255 1HB PHE 38 1HB PHE 38 -1.549 5.918 5.918 256 2HB PHE 38 2HB PHE 38 -1.186 4.797 4.797 257 HD1 PHE 38 1HD PHE 38 -2.638 4.454 4.454 258 HD2 PHE 38 2HD PHE 38 -3.761 6.440 6.440 259 HE1 PHE 38 1HE PHE 38 -5.051 4.163 4.163 260 HE2 PHE 38 2HE PHE 38 -6.193 6.115 6.115 261 1HZ PHE 38 HZ PHE 38 -6.818 4.971 4.971 262 H SER 39 H SER 39 -2.187 8.685 8.685 263 HA SER 39 HA SER 39 -2.109 7.413 7.413 264 1HB SER 39 1HB SER 39 -3.145 9.634 9.634 265 2HB SER 39 2HB SER 39 -1.445 9.714 9.714 266 HG SER 39 HG SER 39 -3.708 10.112 10.112 Start of MODEL 3 1 HA ASP 1 HA ASP 1 -6.861 -9.818 -9.818 2 1HB ASP 1 1HB ASP 1 -6.933 -7.686 -7.686 3 2HB ASP 1 2HB ASP 1 -6.300 -7.108 -7.108 4 H GLU 2 H GLU 2 -6.153 -8.246 -8.246 5 HA GLU 2 HA GLU 2 -8.145 -6.408 -6.408 6 1HB GLU 2 1HB GLU 2 -6.646 -8.564 -8.564 7 2HB GLU 2 2HB GLU 2 -7.629 -7.281 -7.281 8 1HG GLU 2 1HG GLU 2 -9.670 -8.218 -8.218 9 2HG GLU 2 2HG GLU 2 -8.862 -9.310 -9.310 10 H CYS 3 H CYS 3 -4.809 -7.680 -7.680 11 HA CYS 3 HA CYS 3 -3.384 -5.507 -5.507 12 1HB CYS 3 1HB CYS 3 -2.268 -7.473 -7.473 13 2HB CYS 3 2HB CYS 3 -2.992 -7.183 -7.183 14 H ALA 4 H ALA 4 -4.719 -5.893 -5.893 15 HA ALA 4 HA ALA 4 -4.104 -3.393 -3.393 16 1HB ALA 4 1HB ALA 4 -5.265 -5.330 -5.330 17 2HB ALA 4 2HB ALA 4 -6.773 -4.814 -4.814 18 3HB ALA 4 3HB ALA 4 -5.915 -3.729 -3.729 19 H ASN 5 H ASN 5 -6.887 -4.258 -4.258 20 HA ASN 5 HA ASN 5 -8.049 -1.645 -1.645 21 1HB ASN 5 1HB ASN 5 -9.742 -2.311 -2.311 22 2HB ASN 5 2HB ASN 5 -9.256 -3.813 -3.813 23 1HD2 ASN 5 2HD2 ASN 5 -8.512 -3.547 -3.547 24 2HD2 ASN 5 1HD2 ASN 5 -8.137 -2.128 -2.128 25 H ALA 6 H ALA 6 -5.707 -3.140 -3.140 26 HA ALA 6 HA ALA 6 -5.670 -1.016 -1.016 27 1HB ALA 6 2HB ALA 6 -3.419 -2.899 -2.899 28 2HB ALA 6 3HB ALA 6 -3.430 -1.836 -1.836 29 3HB ALA 6 1HB ALA 6 -4.590 -3.190 -3.190 30 H ALA 7 H ALA 7 -3.744 -1.594 -1.594 31 HA ALA 7 HA ALA 7 -2.254 0.829 0.829 32 1HB ALA 7 1HB ALA 7 -1.712 -1.117 -1.117 33 2HB ALA 7 2HB ALA 7 -3.090 -0.629 -0.629 34 3HB ALA 7 3HB ALA 7 -1.710 0.472 0.472 35 H ALA 8 H ALA 8 -5.357 0.082 0.082 36 HA ALA 8 HA ALA 8 -5.861 2.623 2.623 37 1HB ALA 8 3HB ALA 8 -7.252 0.590 0.590 38 2HB ALA 8 1HB ALA 8 -7.866 0.700 0.700 39 3HB ALA 8 2HB ALA 8 -8.219 1.985 1.985 40 H GLN 9 H GLN 9 -6.520 1.392 1.392 41 HA GLN 9 HA GLN 9 -7.636 3.907 3.907 42 1HB GLN 9 1HB GLN 9 -8.252 1.750 1.750 43 2HB GLN 9 2HB GLN 9 -6.623 1.534 1.534 44 1HG GLN 9 1HG GLN 9 -6.940 3.259 3.259 45 2HG GLN 9 2HG GLN 9 -8.230 4.022 4.022 46 1HE2 GLN 9 2HE2 GLN 9 -9.304 0.544 0.544 47 2HE2 GLN 9 1HE2 GLN 9 -7.816 0.587 0.587 48 H CYS 10 H CYS 10 -4.401 3.030 3.030 49 HA CYS 10 HA CYS 10 -2.502 4.144 4.144 50 1HB CYS 10 1HB CYS 10 -4.338 6.467 6.467 51 2HB CYS 10 2HB CYS 10 -2.596 6.625 6.625 52 H SER 11 H SER 11 -3.173 2.462 2.462 53 HA SER 11 HA SER 11 -1.912 3.923 3.923 54 1HB SER 11 1HB SER 11 -4.134 3.422 3.422 55 2HB SER 11 2HB SER 11 -4.133 1.862 1.862 56 HG SER 11 HG SER 11 -2.604 2.536 2.536 57 H ILE 12 H ILE 12 -0.365 3.010 3.010 58 HA ILE 12 HA ILE 12 1.234 1.073 1.073 59 HB ILE 12 HB ILE 12 1.794 2.882 2.882 60 1HG1 ILE 12 1HG1 ILE 12 1.376 4.223 4.223 61 2HG1 ILE 12 2HG1 ILE 12 3.110 4.138 4.138 62 1HG2 ILE 12 3HG2 ILE 12 3.651 1.110 1.110 63 2HG2 ILE 12 1HG2 ILE 12 4.187 2.409 2.409 64 3HG2 ILE 12 2HG2 ILE 12 3.308 1.014 1.014 65 1HD1 ILE 12 3HD1 ILE 12 3.156 2.306 2.306 66 2HD1 ILE 12 1HD1 ILE 12 1.465 2.749 2.749 67 3HD1 ILE 12 2HD1 ILE 12 2.750 3.932 3.932 68 H THR 13 H THR 13 -0.572 1.441 1.441 69 HA THR 13 HA THR 13 0.479 -1.002 -1.002 70 HB THR 13 HB THR 13 -2.175 0.289 0.289 71 HG1 THR 13 1HG THR 13 0.470 1.151 1.151 72 1HG2 THR 13 1HG2 THR 13 0.045 -1.051 -1.051 73 2HG2 THR 13 2HG2 THR 13 -1.472 -0.390 -0.390 74 3HG2 THR 13 3HG2 THR 13 -1.509 -1.782 -1.782 75 H LEU 14 H LEU 14 -2.518 -0.050 -0.050 76 HA LEU 14 HA LEU 14 -3.462 -2.767 -2.767 77 1HB LEU 14 1HB LEU 14 -4.109 -0.321 -0.321 78 2HB LEU 14 2HB LEU 14 -4.792 -1.891 -1.891 79 HG LEU 14 HG LEU 14 -5.012 -1.184 -1.184 80 1HD1 LEU 14 1HD1 LEU 14 -6.204 0.645 0.645 81 2HD1 LEU 14 2HD1 LEU 14 -6.986 0.385 0.385 82 3HD1 LEU 14 3HD1 LEU 14 -5.367 1.073 1.073 83 1HD2 LEU 14 3HD2 LEU 14 -6.094 -3.079 -3.079 84 2HD2 LEU 14 1HD2 LEU 14 -7.275 -1.994 -1.994 85 3HD2 LEU 14 2HD2 LEU 14 -7.010 -1.909 -1.909 86 H CYS 15 H CYS 15 -1.310 -0.871 -0.871 87 HA CYS 15 HA CYS 15 -0.967 -2.757 -2.757 88 1HB CYS 15 1HB CYS 15 1.122 -0.988 -0.988 89 2HB CYS 15 2HB CYS 15 1.527 -2.108 -2.108 90 H ASN 16 H ASN 16 1.089 -2.482 -2.482 91 HA ASN 16 HA ASN 16 2.225 -4.997 -4.997 92 1HB ASN 16 1HB ASN 16 2.202 -3.542 -3.542 93 2HB ASN 16 2HB ASN 16 3.352 -4.769 -4.769 94 1HD2 ASN 16 2HD2 ASN 16 5.305 -1.795 -1.795 95 2HD2 ASN 16 1HD2 ASN 16 4.738 -2.904 -2.904 96 H LEU 17 H LEU 17 -0.835 -4.355 -4.355 97 HA LEU 17 HA LEU 17 -1.107 -6.572 -6.572 98 1HB LEU 17 1HB LEU 17 -2.687 -4.690 -4.690 99 2HB LEU 17 2HB LEU 17 -3.260 -5.469 -5.469 100 HG LEU 17 HG LEU 17 -4.650 -5.682 -5.682 101 1HD1 LEU 17 3HD1 LEU 17 -4.872 -7.175 -7.175 102 2HD1 LEU 17 1HD1 LEU 17 -3.766 -8.344 -8.344 103 3HD1 LEU 17 2HD1 LEU 17 -5.324 -7.960 -7.960 104 1HD2 LEU 17 2HD2 LEU 17 -2.823 -6.130 -6.130 105 2HD2 LEU 17 3HD2 LEU 17 -4.162 -7.279 -7.279 106 3HD2 LEU 17 1HD2 LEU 17 -2.647 -7.759 -7.759 107 H TYR 18 H TYR 18 -1.605 -6.431 -6.431 108 HA TYR 18 HA TYR 18 -1.398 -9.429 -9.429 109 1HB TYR 18 1HB TYR 18 -3.390 -7.566 -7.566 110 2HB TYR 18 2HB TYR 18 -3.121 -9.206 -9.206 111 HD1 TYR 18 2HD TYR 18 -2.908 -10.781 -10.781 112 HD2 TYR 18 1HD TYR 18 -5.696 -7.788 -7.788 113 HE1 TYR 18 2HE TYR 18 -4.600 -11.660 -11.660 114 HE2 TYR 18 1HE TYR 18 -7.449 -8.806 -8.806 115 HH TYR 18 HH TYR 18 -7.929 -10.389 -10.389 116 H CYS 19 H CYS 19 -0.126 -6.552 -6.552 117 HA CYS 19 HA CYS 19 -0.127 -7.674 -7.674 118 1HB CYS 19 1HB CYS 19 1.363 -5.358 -5.358 119 2HB CYS 19 2HB CYS 19 1.550 -5.854 -5.854 120 H GLY 20 H GLY 20 2.085 -8.207 -8.207 121 1HA GLY 20 1HA GLY 20 4.043 -9.354 -9.354 122 2HA GLY 20 2HA GLY 20 3.366 -10.424 -10.424 123 HA PRO 21 HA PRO 21 7.015 -8.854 -8.854 124 1HB PRO 21 1HB PRO 21 6.496 -9.911 -9.911 125 2HB PRO 21 2HB PRO 21 7.066 -10.896 -10.896 126 1HG PRO 21 1HG PRO 21 4.226 -10.559 -10.559 127 2HG PRO 21 2HG PRO 21 5.070 -12.067 -12.067 128 1HD PRO 21 1HD PRO 21 3.396 -10.833 -10.833 129 2HD PRO 21 2HD PRO 21 4.863 -11.656 -11.656 130 H LEU 22 H LEU 22 3.652 -8.565 -8.565 131 HA LEU 22 HA LEU 22 4.182 -6.462 -6.462 132 1HB LEU 22 1HB LEU 22 1.552 -6.989 -6.989 133 2HB LEU 22 2HB LEU 22 1.812 -6.230 -6.230 134 HG LEU 22 HG LEU 22 2.261 -9.179 -9.179 135 1HD1 LEU 22 3HD1 LEU 22 -0.103 -8.504 -8.504 136 2HD1 LEU 22 1HD1 LEU 22 0.104 -7.787 -7.787 137 3HD1 LEU 22 2HD1 LEU 22 0.285 -9.540 -9.540 138 1HD2 LEU 22 3HD2 LEU 22 2.463 -7.668 -7.668 139 2HD2 LEU 22 1HD2 LEU 22 3.802 -8.452 -8.452 140 3HD2 LEU 22 2HD2 LEU 22 2.491 -9.435 -9.435 141 H ILE 23 H ILE 23 4.429 -6.437 -6.437 142 HA ILE 23 HA ILE 23 3.268 -3.949 -3.949 143 HB ILE 23 HB ILE 23 5.764 -5.347 -5.347 144 1HG1 ILE 23 1HG1 ILE 23 3.028 -4.766 -4.766 145 2HG1 ILE 23 2HG1 ILE 23 3.403 -6.261 -6.261 146 1HG2 ILE 23 1HG2 ILE 23 4.416 -2.775 -2.775 147 2HG2 ILE 23 2HG2 ILE 23 5.587 -3.654 -3.654 148 3HG2 ILE 23 3HG2 ILE 23 6.105 -2.951 -2.951 149 1HD1 ILE 23 2HD1 ILE 23 5.319 -6.606 -6.606 150 2HD1 ILE 23 3HD1 ILE 23 4.595 -5.287 -5.287 151 3HD1 ILE 23 1HD1 ILE 23 3.675 -6.774 -6.774 152 H GLU 24 H GLU 24 6.352 -4.770 -4.770 153 HA GLU 24 HA GLU 24 7.343 -2.095 -2.095 154 1HB GLU 24 1HB GLU 24 8.803 -4.055 -4.055 155 2HB GLU 24 2HB GLU 24 7.727 -4.461 -4.461 156 1HG GLU 24 1HG GLU 24 8.353 -2.354 -2.354 157 2HG GLU 24 2HG GLU 24 9.405 -1.940 -1.940 158 H ILE 25 H ILE 25 5.733 -3.684 -3.684 159 HA ILE 25 HA ILE 25 5.335 -1.337 -1.337 160 HB ILE 25 HB ILE 25 3.461 -3.729 -3.729 161 1HG1 ILE 25 1HG1 ILE 25 5.510 -4.704 -4.704 162 2HG1 ILE 25 2HG1 ILE 25 4.581 -4.577 -4.577 163 1HG2 ILE 25 3HG2 ILE 25 3.646 -1.660 -1.660 164 2HG2 ILE 25 1HG2 ILE 25 2.717 -3.178 -3.178 165 3HG2 ILE 25 2HG2 ILE 25 2.283 -1.964 -1.964 166 1HD1 ILE 25 1HD1 ILE 25 5.896 -2.426 -2.426 167 2HD1 ILE 25 2HD1 ILE 25 6.926 -2.836 -2.836 168 3HD1 ILE 25 3HD1 ILE 25 6.837 -3.926 -3.926 169 H CYS 26 H CYS 26 3.672 -2.448 -2.448 170 HA CYS 26 HA CYS 26 1.329 -0.821 -0.821 171 1HB CYS 26 1HB CYS 26 1.579 -2.871 -2.871 172 2HB CYS 26 2HB CYS 26 2.360 -1.816 -1.816 173 H GLU 27 H GLU 27 4.425 -0.567 -0.567 174 HA GLU 27 HA GLU 27 3.873 1.946 1.946 175 1HB GLU 27 1HB GLU 27 5.760 0.166 0.166 176 2HB GLU 27 2HB GLU 27 6.621 0.951 0.951 177 1HG GLU 27 1HG GLU 27 6.461 3.122 3.122 178 2HG GLU 27 2HG GLU 27 5.588 2.297 2.297 179 H LEU 28 H LEU 28 5.418 0.894 0.894 180 HA LEU 28 HA LEU 28 6.263 3.451 3.451 181 1HB LEU 28 1HB LEU 28 6.119 0.662 0.662 182 2HB LEU 28 2HB LEU 28 6.015 1.817 1.817 183 HG LEU 28 HG LEU 28 8.311 1.054 1.054 184 1HD1 LEU 28 2HD1 LEU 28 7.758 4.023 4.023 185 2HD1 LEU 28 3HD1 LEU 28 9.362 3.343 3.343 186 3HD1 LEU 28 1HD1 LEU 28 8.096 3.176 3.176 187 1HD2 LEU 28 3HD2 LEU 28 8.159 0.695 0.695 188 2HD2 LEU 28 1HD2 LEU 28 9.536 1.711 1.711 189 3HD2 LEU 28 2HD2 LEU 28 8.095 2.447 2.447 190 H THR 29 H THR 29 3.313 1.683 1.683 191 HA THR 29 HA THR 29 2.339 3.619 3.619 192 HB THR 29 HB THR 29 0.899 1.541 1.541 193 HG1 THR 29 1HG THR 29 2.432 0.677 0.677 194 1HG2 THR 29 1HG2 THR 29 -0.053 3.099 3.099 195 2HG2 THR 29 2HG2 THR 29 -0.870 1.666 1.666 196 3HG2 THR 29 3HG2 THR 29 -0.732 3.134 3.134 197 H VAL 30 H VAL 30 1.733 3.017 3.017 198 HA VAL 30 HA VAL 30 -0.067 5.198 5.198 199 HB VAL 30 HB VAL 30 1.702 3.748 3.748 200 1HG1 VAL 30 1HG1 VAL 30 -0.654 5.626 5.626 201 2HG1 VAL 30 2HG1 VAL 30 0.172 4.661 4.661 202 3HG1 VAL 30 3HG1 VAL 30 1.025 5.968 5.968 203 1HG2 VAL 30 2HG2 VAL 30 -1.215 3.516 3.516 204 2HG2 VAL 30 3HG2 VAL 30 -0.010 2.284 2.284 205 3HG2 VAL 30 1HG2 VAL 30 -0.546 2.672 2.672 206 H MET 31 H MET 31 3.533 5.085 5.085 207 HA MET 31 HA MET 31 3.884 7.748 7.748 208 1HB MET 31 1HB MET 31 5.462 5.718 5.718 209 2HB MET 31 2HB MET 31 6.059 7.319 7.319 210 1HG MET 31 1HG MET 31 5.528 6.265 6.265 211 2HG MET 31 2HG MET 31 7.098 6.463 6.463 212 1HE MET 31 3HE MET 31 6.634 7.551 7.551 213 2HE MET 31 1HE MET 31 8.119 8.141 8.141 214 3HE MET 31 2HE MET 31 7.001 9.292 9.292 215 H GLN 32 H GLN 32 3.232 6.331 6.331 216 HA GLN 32 HA GLN 32 3.774 8.703 8.703 217 1HB GLN 32 1HB GLN 32 3.619 6.207 6.207 218 2HB GLN 32 2HB GLN 32 1.896 6.553 6.553 219 1HG GLN 32 1HG GLN 32 2.603 7.035 7.035 220 2HG GLN 32 2HG GLN 32 2.598 8.645 8.645 221 1HE2 GLN 32 2HE2 GLN 32 6.116 9.069 9.069 222 2HE2 GLN 32 1HE2 GLN 32 4.609 9.789 9.789 223 H ASN 33 H ASN 33 0.758 7.204 7.204 224 HA ASN 33 HA ASN 33 -0.812 9.436 9.436 225 1HB ASN 33 1HB ASN 33 -2.702 7.826 7.826 226 2HB ASN 33 2HB ASN 33 -2.247 7.866 7.866 227 1HD2 ASN 33 2HD2 ASN 33 -1.561 4.528 4.528 228 2HD2 ASN 33 1HD2 ASN 33 -2.331 5.912 5.912 229 H CYS 34 H CYS 34 0.583 8.830 8.830 230 HA CYS 34 HA CYS 34 -1.290 10.684 10.684 231 1HB CYS 34 1HB CYS 34 -0.882 7.734 7.734 232 2HB CYS 34 2HB CYS 34 -1.324 8.794 8.794 233 H GLU 35 H GLU 35 -0.459 10.808 10.808 234 HA GLU 35 HA GLU 35 2.520 10.917 10.917 235 1HB GLU 35 1HB GLU 35 1.370 13.122 13.122 236 2HB GLU 35 2HB GLU 35 0.577 12.646 12.646 237 1HG GLU 35 1HG GLU 35 2.585 14.046 14.046 238 2HG GLU 35 2HG GLU 35 2.822 12.426 12.426 239 HA PRO 36 HA PRO 36 1.294 7.859 7.859 240 1HB PRO 36 1HB PRO 36 3.331 6.049 6.049 241 2HB PRO 36 2HB PRO 36 1.758 6.051 6.051 242 1HG PRO 36 1HG PRO 36 4.418 7.228 7.228 243 2HG PRO 36 2HG PRO 36 3.347 6.225 6.225 244 1HD PRO 36 1HD PRO 36 3.455 8.977 8.977 245 2HD PRO 36 2HD PRO 36 1.946 8.087 8.087 246 HA PRO 37 HA PRO 37 2.524 6.099 6.099 247 1HB PRO 37 1HB PRO 37 2.975 5.915 5.915 248 2HB PRO 37 2HB PRO 37 4.250 5.547 5.547 249 1HG PRO 37 1HG PRO 37 3.820 8.140 8.140 250 2HG PRO 37 2HG PRO 37 5.347 7.228 7.228 251 1HD PRO 37 1HD PRO 37 4.746 9.337 9.337 252 2HD PRO 37 2HD PRO 37 5.541 7.884 7.884 253 H PHE 38 H PHE 38 0.359 5.857 5.857 254 HA PHE 38 HA PHE 38 -1.177 8.167 8.167 255 1HB PHE 38 1HB PHE 38 -1.688 6.016 6.016 256 2HB PHE 38 2HB PHE 38 -1.670 5.290 5.290 257 HD1 PHE 38 1HD PHE 38 -3.397 5.811 5.811 258 HD2 PHE 38 2HD PHE 38 -3.703 6.648 6.648 259 HE1 PHE 38 1HE PHE 38 -5.873 5.408 5.408 260 HE2 PHE 38 2HE PHE 38 -6.172 6.417 6.417 261 1HZ PHE 38 HZ PHE 38 -7.259 5.746 5.746 262 H SER 39 H SER 39 -2.298 9.315 9.315 263 HA SER 39 HA SER 39 -1.028 9.474 9.474 264 1HB SER 39 1HB SER 39 -3.157 11.156 11.156 265 2HB SER 39 2HB SER 39 -2.408 11.522 11.522 266 HG SER 39 HG SER 39 -0.986 11.207 11.207 Start of MODEL 4 1 HA ASP 1 HA ASP 1 -7.510 -9.122 -9.122 2 1HB ASP 1 1HB ASP 1 -5.078 -9.308 -9.308 3 2HB ASP 1 2HB ASP 1 -5.373 -9.593 -9.593 4 H GLU 2 H GLU 2 -6.452 -8.705 -8.705 5 HA GLU 2 HA GLU 2 -7.666 -6.196 -6.196 6 1HB GLU 2 1HB GLU 2 -7.581 -8.708 -8.708 7 2HB GLU 2 2HB GLU 2 -6.384 -7.837 -7.837 8 1HG GLU 2 1HG GLU 2 -8.445 -7.444 -7.444 9 2HG GLU 2 2HG GLU 2 -8.196 -5.979 -5.979 10 H CYS 3 H CYS 3 -4.512 -7.018 -7.018 11 HA CYS 3 HA CYS 3 -3.091 -5.370 -5.370 12 1HB CYS 3 1HB CYS 3 -1.878 -7.261 -7.261 13 2HB CYS 3 2HB CYS 3 -2.255 -6.919 -6.919 14 H ALA 4 H ALA 4 -3.792 -5.413 -5.413 15 HA ALA 4 HA ALA 4 -3.221 -2.731 -2.731 16 1HB ALA 4 1HB ALA 4 -3.737 -4.516 -4.516 17 2HB ALA 4 2HB ALA 4 -5.408 -4.594 -4.594 18 3HB ALA 4 3HB ALA 4 -4.818 -3.131 -3.131 19 H ASN 5 H ASN 5 -6.099 -4.232 -4.232 20 HA ASN 5 HA ASN 5 -7.640 -1.851 -1.851 21 1HB ASN 5 1HB ASN 5 -8.388 -4.270 -4.270 22 2HB ASN 5 2HB ASN 5 -7.834 -4.036 -4.036 23 1HD2 ASN 5 2HD2 ASN 5 -11.463 -3.242 -3.242 24 2HD2 ASN 5 1HD2 ASN 5 -10.419 -4.667 -4.667 25 H ALA 6 H ALA 6 -5.353 -3.182 -3.182 26 HA ALA 6 HA ALA 6 -5.624 -1.115 -1.115 27 1HB ALA 6 2HB ALA 6 -4.251 -3.133 -3.133 28 2HB ALA 6 3HB ALA 6 -3.064 -2.581 -2.581 29 3HB ALA 6 1HB ALA 6 -3.358 -1.624 -1.624 30 H ALA 7 H ALA 7 -3.561 -1.318 -1.318 31 HA ALA 7 HA ALA 7 -2.319 1.203 1.203 32 1HB ALA 7 3HB ALA 7 -1.614 -0.476 -0.476 33 2HB ALA 7 1HB ALA 7 -3.063 -0.079 -0.079 34 3HB ALA 7 2HB ALA 7 -1.833 1.158 1.158 35 H ALA 8 H ALA 8 -5.396 0.380 0.380 36 HA ALA 8 HA ALA 8 -6.078 3.059 3.059 37 1HB ALA 8 1HB ALA 8 -7.876 0.683 0.683 38 2HB ALA 8 2HB ALA 8 -8.383 2.193 2.193 39 3HB ALA 8 3HB ALA 8 -7.193 1.141 1.141 40 H GLN 9 H GLN 9 -6.502 1.272 1.272 41 HA GLN 9 HA GLN 9 -8.094 3.382 3.382 42 1HB GLN 9 1HB GLN 9 -7.893 0.883 0.883 43 2HB GLN 9 2HB GLN 9 -6.525 1.432 1.432 44 1HG GLN 9 1HG GLN 9 -8.189 3.237 3.237 45 2HG GLN 9 2HG GLN 9 -9.457 2.376 2.376 46 1HE2 GLN 9 2HE2 GLN 9 -9.120 -0.556 -0.556 47 2HE2 GLN 9 1HE2 GLN 9 -9.152 -0.266 -0.266 48 H CYS 10 H CYS 10 -4.696 2.804 2.804 49 HA CYS 10 HA CYS 10 -2.849 4.023 4.023 50 1HB CYS 10 1HB CYS 10 -4.835 6.288 6.288 51 2HB CYS 10 2HB CYS 10 -3.155 6.579 6.579 52 H SER 11 H SER 11 -2.869 2.458 2.458 53 HA SER 11 HA SER 11 -1.695 4.003 4.003 54 1HB SER 11 1HB SER 11 -3.960 3.573 3.573 55 2HB SER 11 2HB SER 11 -3.941 1.930 1.930 56 HG SER 11 HG SER 11 -3.544 2.317 2.317 57 H ILE 12 H ILE 12 0.046 3.253 3.253 58 HA ILE 12 HA ILE 12 1.392 1.070 1.070 59 HB ILE 12 HB ILE 12 2.157 2.802 2.802 60 1HG1 ILE 12 1HG1 ILE 12 1.679 4.251 4.251 61 2HG1 ILE 12 2HG1 ILE 12 3.417 4.058 4.058 62 1HG2 ILE 12 1HG2 ILE 12 3.836 1.015 1.015 63 2HG2 ILE 12 2HG2 ILE 12 4.493 2.220 2.220 64 3HG2 ILE 12 3HG2 ILE 12 3.576 0.839 0.839 65 1HD1 ILE 12 2HD1 ILE 12 3.154 2.275 2.275 66 2HD1 ILE 12 3HD1 ILE 12 1.494 2.878 2.878 67 3HD1 ILE 12 1HD1 ILE 12 2.857 3.959 3.959 68 H THR 13 H THR 13 -0.408 1.559 1.559 69 HA THR 13 HA THR 13 0.621 -0.824 -0.824 70 HB THR 13 HB THR 13 -1.999 0.663 0.663 71 HG1 THR 13 1HG THR 13 0.688 1.186 1.186 72 1HG2 THR 13 1HG2 THR 13 -0.193 -0.980 -0.980 73 2HG2 THR 13 2HG2 THR 13 -1.619 -0.056 -0.056 74 3HG2 THR 13 3HG2 THR 13 -1.807 -1.440 -1.440 75 H LEU 14 H LEU 14 -2.363 0.042 0.042 76 HA LEU 14 HA LEU 14 -3.317 -2.685 -2.685 77 1HB LEU 14 1HB LEU 14 -4.106 -0.233 -0.233 78 2HB LEU 14 2HB LEU 14 -4.756 -1.810 -1.810 79 HG LEU 14 HG LEU 14 -4.758 -0.912 -0.912 80 1HD1 LEU 14 1HD1 LEU 14 -6.481 0.216 0.216 81 2HD1 LEU 14 2HD1 LEU 14 -6.967 0.249 0.249 82 3HD1 LEU 14 3HD1 LEU 14 -5.516 1.119 1.119 83 1HD2 LEU 14 3HD2 LEU 14 -5.557 -3.134 -3.134 84 2HD2 LEU 14 1HD2 LEU 14 -6.853 -2.163 -2.163 85 3HD2 LEU 14 2HD2 LEU 14 -6.732 -2.270 -2.270 86 H CYS 15 H CYS 15 -1.141 -0.886 -0.886 87 HA CYS 15 HA CYS 15 -0.971 -2.851 -2.851 88 1HB CYS 15 1HB CYS 15 1.191 -1.052 -1.052 89 2HB CYS 15 2HB CYS 15 1.502 -2.205 -2.205 90 H ASN 16 H ASN 16 1.172 -2.438 -2.438 91 HA ASN 16 HA ASN 16 2.396 -4.930 -4.930 92 1HB ASN 16 1HB ASN 16 2.182 -3.513 -3.513 93 2HB ASN 16 2HB ASN 16 3.418 -4.657 -4.657 94 1HD2 ASN 16 2HD2 ASN 16 4.917 -1.259 -1.259 95 2HD2 ASN 16 1HD2 ASN 16 4.285 -2.294 -2.294 96 H LEU 17 H LEU 17 -0.607 -4.207 -4.207 97 HA LEU 17 HA LEU 17 -0.946 -6.394 -6.394 98 1HB LEU 17 1HB LEU 17 -2.460 -4.430 -4.430 99 2HB LEU 17 2HB LEU 17 -3.146 -5.263 -5.263 100 HG LEU 17 HG LEU 17 -4.472 -5.268 -5.268 101 1HD1 LEU 17 1HD1 LEU 17 -4.771 -7.033 -7.033 102 2HD1 LEU 17 2HD1 LEU 17 -3.730 -8.109 -8.109 103 3HD1 LEU 17 3HD1 LEU 17 -5.253 -7.507 -7.507 104 1HD2 LEU 17 3HD2 LEU 17 -2.608 -5.436 -5.436 105 2HD2 LEU 17 1HD2 LEU 17 -3.920 -6.592 -6.592 106 3HD2 LEU 17 2HD2 LEU 17 -2.406 -7.149 -7.149 107 H TYR 18 H TYR 18 -1.463 -6.363 -6.363 108 HA TYR 18 HA TYR 18 -1.562 -9.366 -9.366 109 1HB TYR 18 1HB TYR 18 -3.296 -7.437 -7.437 110 2HB TYR 18 2HB TYR 18 -3.177 -9.146 -9.146 111 HD1 TYR 18 1HD TYR 18 -3.266 -10.341 -10.341 112 HD2 TYR 18 2HD TYR 18 -5.651 -7.389 -7.389 113 HE1 TYR 18 1HE TYR 18 -5.155 -10.847 -10.847 114 HE2 TYR 18 2HE TYR 18 -7.571 -7.957 -7.957 115 HH TYR 18 HH TYR 18 -7.341 -10.394 -10.394 116 H CYS 19 H CYS 19 -0.039 -6.649 -6.649 117 HA CYS 19 HA CYS 19 -0.157 -7.740 -7.740 118 1HB CYS 19 1HB CYS 19 1.499 -5.569 -5.569 119 2HB CYS 19 2HB CYS 19 1.701 -6.056 -6.056 120 H GLY 20 H GLY 20 2.254 -8.365 -8.365 121 1HA GLY 20 1HA GLY 20 4.156 -9.617 -9.617 122 2HA GLY 20 2HA GLY 20 3.356 -10.619 -10.619 123 HA PRO 21 HA PRO 21 6.954 -9.018 -9.018 124 1HB PRO 21 1HB PRO 21 6.277 -10.016 -10.016 125 2HB PRO 21 2HB PRO 21 6.989 -11.023 -11.023 126 1HG PRO 21 1HG PRO 21 4.082 -10.788 -10.788 127 2HG PRO 21 2HG PRO 21 5.018 -12.263 -12.263 128 1HD PRO 21 1HD PRO 21 3.397 -11.084 -11.084 129 2HD PRO 21 2HD PRO 21 4.930 -11.860 -11.860 130 H LEU 22 H LEU 22 3.552 -8.698 -8.698 131 HA LEU 22 HA LEU 22 4.032 -6.560 -6.560 132 1HB LEU 22 1HB LEU 22 1.533 -7.174 -7.174 133 2HB LEU 22 2HB LEU 22 1.637 -6.248 -6.248 134 HG LEU 22 HG LEU 22 2.131 -9.249 -9.249 135 1HD1 LEU 22 1HD1 LEU 22 -0.142 -7.577 -7.577 136 2HD1 LEU 22 2HD1 LEU 22 0.003 -9.334 -9.334 137 3HD1 LEU 22 3HD1 LEU 22 -0.186 -8.618 -8.618 138 1HD2 LEU 22 1HD2 LEU 22 2.180 -7.460 -7.460 139 2HD2 LEU 22 2HD2 LEU 22 3.538 -8.404 -8.404 140 3HD2 LEU 22 3HD2 LEU 22 2.138 -9.237 -9.237 141 H ILE 23 H ILE 23 4.401 -6.525 -6.525 142 HA ILE 23 HA ILE 23 3.252 -4.059 -4.059 143 HB ILE 23 HB ILE 23 5.834 -5.467 -5.467 144 1HG1 ILE 23 1HG1 ILE 23 3.231 -4.840 -4.840 145 2HG1 ILE 23 2HG1 ILE 23 3.542 -6.367 -6.367 146 1HG2 ILE 23 1HG2 ILE 23 4.694 -2.876 -2.876 147 2HG2 ILE 23 2HG2 ILE 23 5.945 -3.848 -3.848 148 3HG2 ILE 23 3HG2 ILE 23 6.294 -3.097 -3.097 149 1HD1 ILE 23 3HD1 ILE 23 5.517 -6.725 -6.725 150 2HD1 ILE 23 1HD1 ILE 23 4.907 -5.360 -5.360 151 3HD1 ILE 23 2HD1 ILE 23 3.912 -6.803 -6.803 152 H GLU 24 H GLU 24 6.115 -4.799 -4.799 153 HA GLU 24 HA GLU 24 7.023 -2.100 -2.100 154 1HB GLU 24 1HB GLU 24 8.256 -4.374 -4.374 155 2HB GLU 24 2HB GLU 24 7.465 -4.400 -4.400 156 1HG GLU 24 1HG GLU 24 8.629 -2.304 -2.304 157 2HG GLU 24 2HG GLU 24 9.440 -2.253 -2.253 158 H ILE 25 H ILE 25 5.362 -3.857 -3.857 159 HA ILE 25 HA ILE 25 4.936 -1.500 -1.500 160 HB ILE 25 HB ILE 25 3.340 -4.075 -4.075 161 1HG1 ILE 25 1HG1 ILE 25 5.639 -4.235 -4.235 162 2HG1 ILE 25 2HG1 ILE 25 4.307 -4.805 -4.805 163 1HG2 ILE 25 1HG2 ILE 25 2.801 -1.822 -1.822 164 2HG2 ILE 25 2HG2 ILE 25 2.222 -3.493 -3.493 165 3HG2 ILE 25 3HG2 ILE 25 1.691 -2.548 -2.548 166 1HD1 ILE 25 1HD1 ILE 25 4.382 -2.715 -2.715 167 2HD1 ILE 25 2HD1 ILE 25 5.711 -2.109 -2.109 168 3HD1 ILE 25 3HD1 ILE 25 5.934 -3.541 -3.541 169 H CYS 26 H CYS 26 3.256 -2.665 -2.665 170 HA CYS 26 HA CYS 26 0.913 -1.012 -1.012 171 1HB CYS 26 1HB CYS 26 1.149 -3.025 -3.025 172 2HB CYS 26 2HB CYS 26 2.081 -2.106 -2.106 173 H GLU 27 H GLU 27 4.017 -0.755 -0.755 174 HA GLU 27 HA GLU 27 3.259 1.802 1.802 175 1HB GLU 27 1HB GLU 27 4.835 0.236 0.236 176 2HB GLU 27 2HB GLU 27 6.016 0.536 0.536 177 1HG GLU 27 1HG GLU 27 6.216 2.858 2.858 178 2HG GLU 27 2HG GLU 27 4.800 2.796 2.796 179 H LEU 28 H LEU 28 4.964 0.700 0.700 180 HA LEU 28 HA LEU 28 5.940 3.247 3.247 181 1HB LEU 28 1HB LEU 28 5.612 0.494 0.494 182 2HB LEU 28 2HB LEU 28 5.525 1.684 1.684 183 HG LEU 28 HG LEU 28 7.774 0.743 0.743 184 1HD1 LEU 28 2HD1 LEU 28 7.556 2.980 2.980 185 2HD1 LEU 28 3HD1 LEU 28 7.644 3.737 3.737 186 3HD1 LEU 28 1HD1 LEU 28 9.040 2.864 2.864 187 1HD2 LEU 28 1HD2 LEU 28 7.710 0.425 0.425 188 2HD2 LEU 28 2HD2 LEU 28 9.142 1.302 1.302 189 3HD2 LEU 28 3HD2 LEU 28 7.814 2.181 2.181 190 H THR 29 H THR 29 2.970 1.475 1.475 191 HA THR 29 HA THR 29 1.904 3.481 3.481 192 HB THR 29 HB THR 29 0.435 1.532 1.532 193 HG1 THR 29 1HG THR 29 1.878 0.537 0.537 194 1HG2 THR 29 1HG2 THR 29 -0.501 2.958 2.958 195 2HG2 THR 29 2HG2 THR 29 -1.396 1.685 1.685 196 3HG2 THR 29 3HG2 THR 29 -1.113 3.238 3.238 197 H VAL 30 H VAL 30 1.576 3.018 3.018 198 HA VAL 30 HA VAL 30 -0.153 5.281 5.281 199 HB VAL 30 HB VAL 30 1.661 3.807 3.807 200 1HG1 VAL 30 1HG1 VAL 30 1.110 6.110 6.110 201 2HG1 VAL 30 2HG1 VAL 30 -0.609 5.732 5.732 202 3HG1 VAL 30 3HG1 VAL 30 0.374 4.812 4.812 203 1HG2 VAL 30 2HG2 VAL 30 -0.231 2.466 2.466 204 2HG2 VAL 30 3HG2 VAL 30 -0.491 2.783 2.783 205 3HG2 VAL 30 1HG2 VAL 30 -1.348 3.728 3.728 206 H MET 31 H MET 31 3.455 5.034 5.034 207 HA MET 31 HA MET 31 4.010 7.685 7.685 208 1HB MET 31 1HB MET 31 5.390 5.568 5.568 209 2HB MET 31 2HB MET 31 6.077 7.156 7.156 210 1HG MET 31 1HG MET 31 6.151 7.599 7.599 211 2HG MET 31 2HG MET 31 5.570 5.945 5.945 212 1HE MET 31 1HE MET 31 8.199 7.430 7.430 213 2HE MET 31 2HE MET 31 7.645 5.810 5.810 214 3HE MET 31 3HE MET 31 9.332 6.066 6.066 215 H GLN 32 H GLN 32 3.469 6.174 6.174 216 HA GLN 32 HA GLN 32 4.038 8.307 8.307 217 1HB GLN 32 1HB GLN 32 3.400 5.750 5.750 218 2HB GLN 32 2HB GLN 32 1.816 6.462 6.462 219 1HG GLN 32 1HG GLN 32 2.702 6.488 6.488 220 2HG GLN 32 2HG GLN 32 3.162 8.110 8.110 221 1HE2 GLN 32 2HE2 GLN 32 6.709 7.167 7.167 222 2HE2 GLN 32 1HE2 GLN 32 5.538 8.340 8.340 223 H ASN 33 H ASN 33 1.042 7.705 7.705 224 HA ASN 33 HA ASN 33 -0.346 9.867 9.867 225 1HB ASN 33 1HB ASN 33 -2.051 8.483 8.483 226 2HB ASN 33 2HB ASN 33 -0.804 7.235 7.235 227 1HD2 ASN 33 2HD2 ASN 33 -2.289 5.672 5.672 228 2HD2 ASN 33 1HD2 ASN 33 -0.744 5.998 5.998 229 H CYS 34 H CYS 34 0.413 8.750 8.750 230 HA CYS 34 HA CYS 34 -1.415 10.612 10.612 231 1HB CYS 34 1HB CYS 34 -0.782 7.674 7.674 232 2HB CYS 34 2HB CYS 34 -1.350 8.696 8.696 233 H GLU 35 H GLU 35 -0.268 10.854 10.854 234 HA GLU 35 HA GLU 35 2.688 10.665 10.665 235 1HB GLU 35 1HB GLU 35 1.084 12.967 12.967 236 2HB GLU 35 2HB GLU 35 1.980 12.681 12.681 237 1HG GLU 35 1HG GLU 35 3.146 12.788 12.788 238 2HG GLU 35 2HG GLU 35 3.168 14.130 14.130 239 HA PRO 36 HA PRO 36 1.604 8.026 8.026 240 1HB PRO 36 1HB PRO 36 3.450 6.037 6.037 241 2HB PRO 36 2HB PRO 36 1.873 6.186 6.186 242 1HG PRO 36 1HG PRO 36 4.641 7.038 7.038 243 2HG PRO 36 2HG PRO 36 3.422 6.149 6.149 244 1HD PRO 36 1HD PRO 36 3.854 8.872 8.872 245 2HD PRO 36 2HD PRO 36 2.262 8.139 8.139 246 HA PRO 37 HA PRO 37 2.873 6.058 6.058 247 1HB PRO 37 1HB PRO 37 3.199 6.027 6.027 248 2HB PRO 37 2HB PRO 37 4.492 5.536 5.536 249 1HG PRO 37 1HG PRO 37 4.122 8.254 8.254 250 2HG PRO 37 2HG PRO 37 5.601 7.245 7.245 251 1HD PRO 37 1HD PRO 37 5.263 9.216 9.216 252 2HD PRO 37 2HD PRO 37 5.905 7.636 7.636 253 H PHE 38 H PHE 38 0.690 5.853 5.853 254 HA PHE 38 HA PHE 38 -0.936 8.033 8.033 255 1HB PHE 38 1HB PHE 38 -1.738 6.062 6.062 256 2HB PHE 38 2HB PHE 38 -1.080 5.129 5.129 257 HD1 PHE 38 2HD PHE 38 -3.687 7.646 7.646 258 HD2 PHE 38 1HD PHE 38 -2.424 4.319 4.319 259 HE1 PHE 38 2HE PHE 38 -5.859 7.728 7.728 260 HE2 PHE 38 1HE PHE 38 -4.668 4.246 4.246 261 1HZ PHE 38 HZ PHE 38 -6.353 5.999 5.999 262 H SER 39 H SER 39 -2.229 9.105 9.105 263 HA SER 39 HA SER 39 -1.003 10.191 10.191 264 1HB SER 39 1HB SER 39 -4.008 10.062 10.062 265 2HB SER 39 2HB SER 39 -3.047 11.385 11.385 266 HG SER 39 HG SER 39 -2.054 11.564 11.564 Start of MODEL 5 1 HA ASP 1 HA ASP 1 -7.441 -9.165 -9.165 2 1HB ASP 1 1HB ASP 1 -5.429 -8.956 -8.956 3 2HB ASP 1 2HB ASP 1 -4.995 -7.463 -7.463 4 H GLU 2 H GLU 2 -6.764 -8.676 -8.676 5 HA GLU 2 HA GLU 2 -8.019 -6.251 -6.251 6 1HB GLU 2 1HB GLU 2 -6.926 -8.846 -8.846 7 2HB GLU 2 2HB GLU 2 -6.795 -7.389 -7.389 8 1HG GLU 2 1HG GLU 2 -8.780 -8.258 -8.258 9 2HG GLU 2 2HG GLU 2 -9.292 -6.995 -6.995 10 H CYS 3 H CYS 3 -4.843 -7.674 -7.674 11 HA CYS 3 HA CYS 3 -3.230 -5.691 -5.691 12 1HB CYS 3 1HB CYS 3 -2.203 -7.686 -7.686 13 2HB CYS 3 2HB CYS 3 -2.808 -7.402 -7.402 14 H ALA 4 H ALA 4 -4.730 -5.756 -5.756 15 HA ALA 4 HA ALA 4 -3.614 -3.248 -3.248 16 1HB ALA 4 1HB ALA 4 -4.576 -4.937 -4.937 17 2HB ALA 4 2HB ALA 4 -6.198 -4.568 -4.568 18 3HB ALA 4 3HB ALA 4 -5.269 -3.312 -3.312 19 H ASN 5 H ASN 5 -6.677 -4.232 -4.232 20 HA ASN 5 HA ASN 5 -7.862 -1.663 -1.663 21 1HB ASN 5 1HB ASN 5 -8.316 -3.804 -3.804 22 2HB ASN 5 2HB ASN 5 -9.412 -2.515 -2.515 23 1HD2 ASN 5 2HD2 ASN 5 -9.371 -4.622 -4.622 24 2HD2 ASN 5 1HD2 ASN 5 -8.608 -3.064 -3.064 25 H ALA 6 H ALA 6 -5.558 -3.178 -3.178 26 HA ALA 6 HA ALA 6 -5.513 -1.175 -1.175 27 1HB ALA 6 1HB ALA 6 -3.269 -2.964 -2.964 28 2HB ALA 6 2HB ALA 6 -3.157 -1.925 -1.925 29 3HB ALA 6 3HB ALA 6 -4.328 -3.278 -3.278 30 H ALA 7 H ALA 7 -3.548 -1.515 -1.515 31 HA ALA 7 HA ALA 7 -2.165 0.955 0.955 32 1HB ALA 7 2HB ALA 7 -1.515 -0.809 -0.809 33 2HB ALA 7 3HB ALA 7 -2.977 -0.494 -0.494 34 3HB ALA 7 1HB ALA 7 -1.738 0.765 0.765 35 H ALA 8 H ALA 8 -5.373 0.191 0.191 36 HA ALA 8 HA ALA 8 -5.904 2.850 2.850 37 1HB ALA 8 2HB ALA 8 -7.086 0.812 0.812 38 2HB ALA 8 3HB ALA 8 -7.934 0.737 0.737 39 3HB ALA 8 1HB ALA 8 -8.163 2.133 2.133 40 H GLN 9 H GLN 9 -6.364 1.326 1.326 41 HA GLN 9 HA GLN 9 -7.816 3.644 3.644 42 1HB GLN 9 1HB GLN 9 -8.021 1.420 1.420 43 2HB GLN 9 2HB GLN 9 -6.302 1.435 1.435 44 1HG GLN 9 1HG GLN 9 -6.631 3.321 3.321 45 2HG GLN 9 2HG GLN 9 -8.283 3.561 3.561 46 1HE2 GLN 9 2HE2 GLN 9 -7.928 1.337 1.337 47 2HE2 GLN 9 1HE2 GLN 9 -6.900 2.686 2.686 48 H CYS 10 H CYS 10 -4.530 2.668 2.668 49 HA CYS 10 HA CYS 10 -2.698 3.811 3.811 50 1HB CYS 10 1HB CYS 10 -4.347 5.500 5.500 51 2HB CYS 10 2HB CYS 10 -4.038 6.490 6.490 52 H SER 11 H SER 11 -2.435 2.530 2.530 53 HA SER 11 HA SER 11 -1.507 4.109 4.109 54 1HB SER 11 1HB SER 11 -3.879 3.570 3.570 55 2HB SER 11 2HB SER 11 -3.721 1.996 1.996 56 HG SER 11 HG SER 11 -3.605 2.336 2.336 57 H ILE 12 H ILE 12 0.088 3.296 3.296 58 HA ILE 12 HA ILE 12 1.662 1.237 1.237 59 HB ILE 12 HB ILE 12 2.118 2.959 2.959 60 1HG1 ILE 12 1HG1 ILE 12 1.824 4.391 4.391 61 2HG1 ILE 12 2HG1 ILE 12 3.528 4.288 4.288 62 1HG2 ILE 12 3HG2 ILE 12 4.041 1.214 1.214 63 2HG2 ILE 12 1HG2 ILE 12 4.489 2.360 2.360 64 3HG2 ILE 12 2HG2 ILE 12 3.488 0.957 0.957 65 1HD1 ILE 12 2HD1 ILE 12 3.741 2.594 2.594 66 2HD1 ILE 12 3HD1 ILE 12 2.059 2.996 2.996 67 3HD1 ILE 12 1HD1 ILE 12 3.310 4.242 4.242 68 H THR 13 H THR 13 -0.318 1.650 1.650 69 HA THR 13 HA THR 13 0.399 -0.903 -0.903 70 HB THR 13 HB THR 13 -2.004 0.962 0.962 71 HG1 THR 13 1HG THR 13 -1.076 1.198 1.198 72 1HG2 THR 13 1HG2 THR 13 -1.583 -1.689 -1.689 73 2HG2 THR 13 2HG2 THR 13 -2.779 -0.447 -0.447 74 3HG2 THR 13 3HG2 THR 13 -2.925 -1.291 -1.291 75 H LEU 14 H LEU 14 -2.342 0.212 0.212 76 HA LEU 14 HA LEU 14 -3.432 -2.450 -2.450 77 1HB LEU 14 1HB LEU 14 -3.651 -0.149 -0.149 78 2HB LEU 14 2HB LEU 14 -4.498 -1.699 -1.699 79 HG LEU 14 HG LEU 14 -5.384 0.663 0.663 80 1HD1 LEU 14 2HD1 LEU 14 -6.498 -2.165 -2.165 81 2HD1 LEU 14 3HD1 LEU 14 -7.443 -0.756 -0.756 82 3HD1 LEU 14 1HD1 LEU 14 -6.738 -0.812 -0.812 83 1HD2 LEU 14 2HD2 LEU 14 -5.150 -1.684 -1.684 84 2HD2 LEU 14 3HD2 LEU 14 -4.348 -0.089 -0.089 85 3HD2 LEU 14 1HD2 LEU 14 -6.106 -0.209 -0.209 86 H CYS 15 H CYS 15 -0.873 -0.822 -0.822 87 HA CYS 15 HA CYS 15 -0.527 -2.868 -2.868 88 1HB CYS 15 1HB CYS 15 1.621 -1.159 -1.159 89 2HB CYS 15 2HB CYS 15 1.899 -2.268 -2.268 90 H ASN 16 H ASN 16 1.200 -2.498 -2.498 91 HA ASN 16 HA ASN 16 2.353 -5.057 -5.057 92 1HB ASN 16 1HB ASN 16 1.780 -3.673 -3.673 93 2HB ASN 16 2HB ASN 16 3.074 -4.827 -4.827 94 1HD2 ASN 16 2HD2 ASN 16 4.369 -1.249 -1.249 95 2HD2 ASN 16 1HD2 ASN 16 3.378 -2.166 -2.166 96 H LEU 17 H LEU 17 -0.764 -4.199 -4.199 97 HA LEU 17 HA LEU 17 -1.242 -6.409 -6.409 98 1HB LEU 17 1HB LEU 17 -2.599 -4.210 -4.210 99 2HB LEU 17 2HB LEU 17 -3.465 -5.200 -5.200 100 HG LEU 17 HG LEU 17 -4.572 -4.865 -4.865 101 1HD1 LEU 17 1HD1 LEU 17 -4.974 -6.922 -6.922 102 2HD1 LEU 17 2HD1 LEU 17 -3.781 -7.785 -7.785 103 3HD1 LEU 17 3HD1 LEU 17 -5.243 -7.113 -7.113 104 1HD2 LEU 17 2HD2 LEU 17 -2.492 -4.671 -4.671 105 2HD2 LEU 17 3HD2 LEU 17 -3.792 -5.650 -5.650 106 3HD2 LEU 17 1HD2 LEU 17 -2.393 -6.449 -6.449 107 H TYR 18 H TYR 18 -1.385 -6.254 -6.254 108 HA TYR 18 HA TYR 18 -1.468 -9.207 -9.207 109 1HB TYR 18 1HB TYR 18 -3.581 -7.408 -7.408 110 2HB TYR 18 2HB TYR 18 -3.207 -8.916 -8.916 111 HD1 TYR 18 1HD TYR 18 -2.852 -10.986 -10.986 112 HD2 TYR 18 2HD TYR 18 -5.523 -7.627 -7.627 113 HE1 TYR 18 1HE TYR 18 -3.661 -11.897 -11.897 114 HE2 TYR 18 2HE TYR 18 -6.457 -8.644 -8.644 115 HH TYR 18 HH TYR 18 -4.646 -11.165 -11.165 116 H CYS 19 H CYS 19 0.142 -6.581 -6.581 117 HA CYS 19 HA CYS 19 -0.242 -7.741 -7.741 118 1HB CYS 19 1HB CYS 19 1.351 -5.420 -5.420 119 2HB CYS 19 2HB CYS 19 1.584 -6.087 -6.087 120 H GLY 20 H GLY 20 2.010 -8.678 -8.678 121 1HA GLY 20 1HA GLY 20 3.812 -10.098 -10.098 122 2HA GLY 20 2HA GLY 20 3.148 -10.681 -10.681 123 HA PRO 21 HA PRO 21 7.077 -8.509 -8.509 124 1HB PRO 21 1HB PRO 21 7.399 -9.457 -9.457 125 2HB PRO 21 2HB PRO 21 7.787 -10.399 -10.399 126 1HG PRO 21 1HG PRO 21 5.260 -10.548 -10.548 127 2HG PRO 21 2HG PRO 21 6.287 -11.899 -11.899 128 1HD PRO 21 1HD PRO 21 4.034 -11.130 -11.130 129 2HD PRO 21 2HD PRO 21 5.476 -11.691 -11.691 130 H LEU 22 H LEU 22 3.932 -8.573 -8.573 131 HA LEU 22 HA LEU 22 4.459 -6.348 -6.348 132 1HB LEU 22 1HB LEU 22 1.754 -7.142 -7.142 133 2HB LEU 22 2HB LEU 22 2.129 -6.292 -6.292 134 HG LEU 22 HG LEU 22 2.687 -9.227 -9.227 135 1HD1 LEU 22 3HD1 LEU 22 0.293 -8.568 -8.568 136 2HD1 LEU 22 1HD1 LEU 22 0.713 -7.856 -7.856 137 3HD1 LEU 22 2HD1 LEU 22 0.892 -9.601 -9.601 138 1HD2 LEU 22 1HD2 LEU 22 3.165 -7.577 -7.577 139 2HD2 LEU 22 2HD2 LEU 22 4.406 -8.355 -8.355 140 3HD2 LEU 22 3HD2 LEU 22 3.258 -9.349 -9.349 141 H ILE 23 H ILE 23 4.388 -6.442 -6.442 142 HA ILE 23 HA ILE 23 3.151 -3.988 -3.988 143 HB ILE 23 HB ILE 23 5.609 -5.401 -5.401 144 1HG1 ILE 23 1HG1 ILE 23 2.882 -4.896 -4.896 145 2HG1 ILE 23 2HG1 ILE 23 3.195 -6.329 -6.329 146 1HG2 ILE 23 2HG2 ILE 23 4.218 -2.896 -2.896 147 2HG2 ILE 23 3HG2 ILE 23 5.425 -3.839 -3.839 148 3HG2 ILE 23 1HG2 ILE 23 5.891 -3.003 -3.003 149 1HD1 ILE 23 1HD1 ILE 23 5.020 -6.987 -6.987 150 2HD1 ILE 23 2HD1 ILE 23 4.595 -5.648 -5.648 151 3HD1 ILE 23 3HD1 ILE 23 3.435 -6.949 -6.949 152 H GLU 24 H GLU 24 6.177 -4.749 -4.749 153 HA GLU 24 HA GLU 24 7.057 -2.015 -2.015 154 1HB GLU 24 1HB GLU 24 8.434 -4.202 -4.202 155 2HB GLU 24 2HB GLU 24 7.652 -4.079 -4.079 156 1HG GLU 24 1HG GLU 24 8.598 -1.664 -1.664 157 2HG GLU 24 2HG GLU 24 9.557 -2.145 -2.145 158 H ILE 25 H ILE 25 5.537 -3.797 -3.797 159 HA ILE 25 HA ILE 25 5.119 -1.491 -1.491 160 HB ILE 25 HB ILE 25 3.388 -3.981 -3.981 161 1HG1 ILE 25 1HG1 ILE 25 5.673 -4.538 -4.538 162 2HG1 ILE 25 2HG1 ILE 25 4.435 -4.942 -4.942 163 1HG2 ILE 25 2HG2 ILE 25 3.264 -1.889 -1.889 164 2HG2 ILE 25 3HG2 ILE 25 2.529 -3.506 -3.506 165 3HG2 ILE 25 1HG2 ILE 25 1.973 -2.376 -2.376 166 1HD1 ILE 25 2HD1 ILE 25 6.210 -2.468 -2.468 167 2HD1 ILE 25 3HD1 ILE 25 6.445 -3.979 -3.979 168 3HD1 ILE 25 1HD1 ILE 25 5.023 -2.986 -2.986 169 H CYS 26 H CYS 26 3.393 -2.615 -2.615 170 HA CYS 26 HA CYS 26 1.031 -0.988 -0.988 171 1HB CYS 26 1HB CYS 26 1.157 -2.964 -2.964 172 2HB CYS 26 2HB CYS 26 2.231 -2.126 -2.126 173 H GLU 27 H GLU 27 4.028 -0.730 -0.730 174 HA GLU 27 HA GLU 27 3.463 1.833 1.833 175 1HB GLU 27 1HB GLU 27 5.291 0.274 0.274 176 2HB GLU 27 2HB GLU 27 6.168 0.649 0.649 177 1HG GLU 27 1HG GLU 27 6.022 3.132 3.132 178 2HG GLU 27 2HG GLU 27 5.427 2.544 2.544 179 H LEU 28 H LEU 28 5.077 0.761 0.761 180 HA LEU 28 HA LEU 28 5.919 3.327 3.327 181 1HB LEU 28 1HB LEU 28 5.747 0.546 0.546 182 2HB LEU 28 2HB LEU 28 5.628 1.703 1.703 183 HG LEU 28 HG LEU 28 7.922 0.907 0.907 184 1HD1 LEU 28 1HD1 LEU 28 7.537 3.193 3.193 185 2HD1 LEU 28 2HD1 LEU 28 7.725 3.868 3.868 186 3HD1 LEU 28 3HD1 LEU 28 9.078 3.022 3.022 187 1HD2 LEU 28 2HD2 LEU 28 7.783 0.551 0.551 188 2HD2 LEU 28 3HD2 LEU 28 9.190 1.515 1.515 189 3HD2 LEU 28 1HD2 LEU 28 7.787 2.302 2.302 190 H THR 29 H THR 29 2.935 1.510 1.510 191 HA THR 29 HA THR 29 1.968 3.594 3.594 192 HB THR 29 HB THR 29 0.167 1.791 1.791 193 HG1 THR 29 1HG THR 29 1.737 0.504 0.504 194 1HG2 THR 29 2HG2 THR 29 -0.860 3.624 3.624 195 2HG2 THR 29 3HG2 THR 29 -0.036 3.004 3.004 196 3HG2 THR 29 1HG2 THR 29 -1.290 2.041 2.041 197 H VAL 30 H VAL 30 1.710 3.018 3.018 198 HA VAL 30 HA VAL 30 -0.094 5.163 5.163 199 HB VAL 30 HB VAL 30 1.961 3.768 3.768 200 1HG1 VAL 30 2HG1 VAL 30 1.324 6.195 6.195 201 2HG1 VAL 30 3HG1 VAL 30 -0.197 5.390 5.390 202 3HG1 VAL 30 1HG1 VAL 30 1.313 4.802 4.802 203 1HG2 VAL 30 1HG2 VAL 30 -0.991 3.511 3.511 204 2HG2 VAL 30 2HG2 VAL 30 0.211 2.250 2.250 205 3HG2 VAL 30 3HG2 VAL 30 -0.352 3.013 3.013 206 H MET 31 H MET 31 3.485 5.121 5.121 207 HA MET 31 HA MET 31 3.992 7.787 7.787 208 1HB MET 31 1HB MET 31 5.526 5.657 5.657 209 2HB MET 31 2HB MET 31 5.573 6.219 6.219 210 1HG MET 31 1HG MET 31 6.336 8.470 8.470 211 2HG MET 31 2HG MET 31 6.482 7.753 7.753 212 1HE MET 31 3HE MET 31 8.222 5.826 5.826 213 2HE MET 31 1HE MET 31 7.686 4.791 4.791 214 3HE MET 31 2HE MET 31 9.408 5.176 5.176 215 H GLN 32 H GLN 32 3.518 6.167 6.167 216 HA GLN 32 HA GLN 32 3.826 8.306 8.306 217 1HB GLN 32 1HB GLN 32 3.494 5.766 5.766 218 2HB GLN 32 2HB GLN 32 1.790 6.196 6.196 219 1HG GLN 32 1HG GLN 32 2.148 6.649 6.649 220 2HG GLN 32 2HG GLN 32 3.071 8.061 8.061 221 1HE2 GLN 32 2HE2 GLN 32 5.188 4.577 4.577 222 2HE2 GLN 32 1HE2 GLN 32 3.544 4.461 4.461 223 H ASN 33 H ASN 33 0.996 7.654 7.654 224 HA ASN 33 HA ASN 33 -0.596 9.629 9.629 225 1HB ASN 33 1HB ASN 33 -2.238 8.200 8.200 226 2HB ASN 33 2HB ASN 33 -0.950 6.995 6.995 227 1HD2 ASN 33 2HD2 ASN 33 -2.381 5.400 5.400 228 2HD2 ASN 33 1HD2 ASN 33 -0.887 5.694 5.694 229 H CYS 34 H CYS 34 0.328 8.756 8.756 230 HA CYS 34 HA CYS 34 -1.186 11.001 11.001 231 1HB CYS 34 1HB CYS 34 -2.198 9.914 9.914 232 2HB CYS 34 2HB CYS 34 -2.694 8.942 8.942 233 H GLU 35 H GLU 35 -0.296 11.364 11.364 234 HA GLU 35 HA GLU 35 2.626 10.877 10.877 235 1HB GLU 35 1HB GLU 35 1.394 13.216 13.216 236 2HB GLU 35 2HB GLU 35 1.406 12.961 12.961 237 1HG GLU 35 1HG GLU 35 3.358 14.225 14.225 238 2HG GLU 35 2HG GLU 35 3.890 12.610 12.610 239 HA PRO 36 HA PRO 36 1.445 8.280 8.280 240 1HB PRO 36 1HB PRO 36 3.460 6.439 6.439 241 2HB PRO 36 2HB PRO 36 2.052 6.449 6.449 242 1HG PRO 36 1HG PRO 36 4.821 7.614 7.614 243 2HG PRO 36 2HG PRO 36 3.917 6.502 6.502 244 1HD PRO 36 1HD PRO 36 3.936 9.220 9.220 245 2HD PRO 36 2HD PRO 36 2.503 8.221 8.221 246 HA PRO 37 HA PRO 37 2.766 6.630 6.630 247 1HB PRO 37 1HB PRO 37 2.772 6.730 6.730 248 2HB PRO 37 2HB PRO 37 4.293 6.640 6.640 249 1HG PRO 37 1HG PRO 37 2.975 9.141 9.141 250 2HG PRO 37 2HG PRO 37 4.666 8.633 8.633 251 1HD PRO 37 1HD PRO 37 3.914 10.398 10.398 252 2HD PRO 37 2HD PRO 37 5.216 9.218 9.218 253 H PHE 38 H PHE 38 0.560 5.991 5.991 254 HA PHE 38 HA PHE 38 -1.498 7.910 7.910 255 1HB PHE 38 1HB PHE 38 -1.747 6.033 6.033 256 2HB PHE 38 2HB PHE 38 -1.245 4.901 4.901 257 HD1 PHE 38 2HD PHE 38 -2.716 4.127 4.127 258 HD2 PHE 38 1HD PHE 38 -3.953 6.709 6.709 259 HE1 PHE 38 2HE PHE 38 -5.110 3.693 3.693 260 HE2 PHE 38 1HE PHE 38 -6.363 6.264 6.264 261 1HZ PHE 38 HZ PHE 38 -6.928 4.723 4.723 262 H SER 39 H SER 39 -2.293 8.534 8.534 263 HA SER 39 HA SER 39 -1.475 7.071 7.071 264 1HB SER 39 1HB SER 39 -2.537 9.883 9.883 265 2HB SER 39 2HB SER 39 -2.208 9.159 9.159 266 HG SER 39 HG SER 39 -0.326 9.599 9.599 Start of MODEL 6 1 HA ASP 1 HA ASP 1 -7.641 -9.670 -9.670 2 1HB ASP 1 1HB ASP 1 -5.234 -9.856 -9.856 3 2HB ASP 1 2HB ASP 1 -5.521 -10.375 -10.375 4 H GLU 2 H GLU 2 -6.776 -9.058 -9.058 5 HA GLU 2 HA GLU 2 -7.982 -6.549 -6.549 6 1HB GLU 2 1HB GLU 2 -7.878 -8.596 -8.596 7 2HB GLU 2 2HB GLU 2 -6.234 -8.109 -8.109 8 1HG GLU 2 1HG GLU 2 -7.025 -5.977 -5.977 9 2HG GLU 2 2HG GLU 2 -8.652 -6.245 -6.245 10 H CYS 3 H CYS 3 -4.578 -7.584 -7.584 11 HA CYS 3 HA CYS 3 -3.310 -5.299 -5.299 12 1HB CYS 3 1HB CYS 3 -2.110 -7.320 -7.320 13 2HB CYS 3 2HB CYS 3 -2.551 -7.184 -7.184 14 H ALA 4 H ALA 4 -4.732 -5.779 -5.779 15 HA ALA 4 HA ALA 4 -3.743 -3.331 -3.331 16 1HB ALA 4 3HB ALA 4 -4.638 -5.154 -5.154 17 2HB ALA 4 1HB ALA 4 -6.244 -4.939 -4.939 18 3HB ALA 4 2HB ALA 4 -5.531 -3.652 -3.652 19 H ASN 5 H ASN 5 -6.524 -4.157 -4.157 20 HA ASN 5 HA ASN 5 -7.894 -1.594 -1.594 21 1HB ASN 5 1HB ASN 5 -8.301 -3.845 -3.845 22 2HB ASN 5 2HB ASN 5 -9.239 -2.371 -2.371 23 1HD2 ASN 5 2HD2 ASN 5 -9.977 -5.237 -5.237 24 2HD2 ASN 5 1HD2 ASN 5 -8.381 -5.232 -5.232 25 H ALA 6 H ALA 6 -5.907 -3.118 -3.118 26 HA ALA 6 HA ALA 6 -5.730 -1.023 -1.023 27 1HB ALA 6 2HB ALA 6 -3.600 -3.030 -3.030 28 2HB ALA 6 3HB ALA 6 -3.470 -1.950 -1.950 29 3HB ALA 6 1HB ALA 6 -4.767 -3.167 -3.167 30 H ALA 7 H ALA 7 -3.636 -1.525 -1.525 31 HA ALA 7 HA ALA 7 -2.131 0.880 0.880 32 1HB ALA 7 3HB ALA 7 -1.581 -0.925 -0.925 33 2HB ALA 7 1HB ALA 7 -2.999 -0.434 -0.434 34 3HB ALA 7 2HB ALA 7 -1.648 0.693 0.693 35 H ALA 8 H ALA 8 -5.227 0.297 0.297 36 HA ALA 8 HA ALA 8 -5.434 2.963 2.963 37 1HB ALA 8 3HB ALA 8 -6.769 1.115 1.115 38 2HB ALA 8 1HB ALA 8 -7.676 1.016 1.016 39 3HB ALA 8 2HB ALA 8 -7.783 2.477 2.477 40 H GLN 9 H GLN 9 -6.215 1.473 1.473 41 HA GLN 9 HA GLN 9 -7.666 3.712 3.712 42 1HB GLN 9 1HB GLN 9 -7.621 1.156 1.156 43 2HB GLN 9 2HB GLN 9 -6.327 1.665 1.665 44 1HG GLN 9 1HG GLN 9 -7.982 3.425 3.425 45 2HG GLN 9 2HG GLN 9 -9.197 2.725 2.725 46 1HE2 GLN 9 2HE2 GLN 9 -9.053 -0.439 -0.439 47 2HE2 GLN 9 1HE2 GLN 9 -8.610 -0.063 -0.063 48 H CYS 10 H CYS 10 -4.309 3.440 3.440 49 HA CYS 10 HA CYS 10 -2.614 4.876 4.876 50 1HB CYS 10 1HB CYS 10 -4.011 6.698 6.698 51 2HB CYS 10 2HB CYS 10 -4.923 6.620 6.620 52 H SER 11 H SER 11 -2.752 2.742 2.742 53 HA SER 11 HA SER 11 -1.727 3.970 3.970 54 1HB SER 11 1HB SER 11 -4.097 3.541 3.541 55 2HB SER 11 2HB SER 11 -4.003 1.960 1.960 56 HG SER 11 HG SER 11 -3.826 2.115 2.115 57 H ILE 12 H ILE 12 -0.073 3.106 3.106 58 HA ILE 12 HA ILE 12 1.221 0.995 0.995 59 HB ILE 12 HB ILE 12 2.202 2.745 2.745 60 1HG1 ILE 12 1HG1 ILE 12 1.631 4.155 4.155 61 2HG1 ILE 12 2HG1 ILE 12 3.361 3.933 3.933 62 1HG2 ILE 12 1HG2 ILE 12 3.694 0.849 0.849 63 2HG2 ILE 12 2HG2 ILE 12 4.460 2.057 2.057 64 3HG2 ILE 12 3HG2 ILE 12 3.531 0.733 0.733 65 1HD1 ILE 12 1HD1 ILE 12 2.867 2.019 2.019 66 2HD1 ILE 12 2HD1 ILE 12 1.291 2.801 2.801 67 3HD1 ILE 12 3HD1 ILE 12 2.766 3.711 3.711 68 H THR 13 H THR 13 -0.328 1.506 1.506 69 HA THR 13 HA THR 13 0.604 -1.059 -1.059 70 HB THR 13 HB THR 13 -1.854 0.593 0.593 71 HG1 THR 13 1HG THR 13 -0.062 1.836 1.836 72 1HG2 THR 13 1HG2 THR 13 -0.259 -1.512 -1.512 73 2HG2 THR 13 2HG2 THR 13 -1.613 -0.552 -0.552 74 3HG2 THR 13 3HG2 THR 13 -1.894 -1.740 -1.740 75 H LEU 14 H LEU 14 -2.454 0.074 0.074 76 HA LEU 14 HA LEU 14 -3.482 -2.619 -2.619 77 1HB LEU 14 1HB LEU 14 -4.055 -0.192 -0.192 78 2HB LEU 14 2HB LEU 14 -4.776 -1.740 -1.740 79 HG LEU 14 HG LEU 14 -4.937 -0.710 -0.710 80 1HD1 LEU 14 3HD1 LEU 14 -6.388 0.439 0.439 81 2HD1 LEU 14 1HD1 LEU 14 -7.094 0.475 0.475 82 3HD1 LEU 14 2HD1 LEU 14 -5.585 1.328 1.328 83 1HD2 LEU 14 1HD2 LEU 14 -5.801 -2.906 -2.906 84 2HD2 LEU 14 2HD2 LEU 14 -7.058 -1.866 -1.866 85 3HD2 LEU 14 3HD2 LEU 14 -6.896 -1.971 -1.971 86 H CYS 15 H CYS 15 -1.116 -0.882 -0.882 87 HA CYS 15 HA CYS 15 -0.899 -2.895 -2.895 88 1HB CYS 15 1HB CYS 15 1.377 -1.240 -1.240 89 2HB CYS 15 2HB CYS 15 1.533 -2.337 -2.337 90 H ASN 16 H ASN 16 1.167 -2.543 -2.543 91 HA ASN 16 HA ASN 16 2.226 -5.201 -5.201 92 1HB ASN 16 1HB ASN 16 3.567 -4.788 -4.788 93 2HB ASN 16 2HB ASN 16 3.584 -3.389 -3.389 94 1HD2 ASN 16 2HD2 ASN 16 3.102 -1.194 -1.194 95 2HD2 ASN 16 1HD2 ASN 16 4.114 -1.749 -1.749 96 H LEU 17 H LEU 17 -0.683 -4.312 -4.312 97 HA LEU 17 HA LEU 17 -1.148 -6.244 -6.244 98 1HB LEU 17 1HB LEU 17 -2.525 -4.430 -4.430 99 2HB LEU 17 2HB LEU 17 -3.023 -5.329 -5.329 100 HG LEU 17 HG LEU 17 -4.494 -6.482 -6.482 101 1HD1 LEU 17 3HD1 LEU 17 -2.732 -6.621 -6.621 102 2HD1 LEU 17 1HD1 LEU 17 -4.305 -7.381 -7.381 103 3HD1 LEU 17 2HD1 LEU 17 -2.939 -7.942 -7.942 104 1HD2 LEU 17 1HD2 LEU 17 -4.742 -4.115 -4.115 105 2HD2 LEU 17 2HD2 LEU 17 -5.372 -5.271 -5.271 106 3HD2 LEU 17 3HD2 LEU 17 -3.783 -4.492 -4.492 107 H TYR 18 H TYR 18 -1.573 -6.574 -6.574 108 HA TYR 18 HA TYR 18 -1.112 -9.519 -9.519 109 1HB TYR 18 1HB TYR 18 -3.308 -8.101 -8.101 110 2HB TYR 18 2HB TYR 18 -3.036 -9.829 -9.829 111 HD1 TYR 18 2HD TYR 18 -2.686 -10.504 -10.504 112 HD2 TYR 18 1HD TYR 18 -5.377 -7.644 -7.644 113 HE1 TYR 18 2HE TYR 18 -4.094 -10.582 -10.582 114 HE2 TYR 18 1HE TYR 18 -6.855 -7.830 -7.830 115 HH TYR 18 HH TYR 18 -5.777 -9.490 -9.490 116 H CYS 19 H CYS 19 0.035 -6.758 -6.758 117 HA CYS 19 HA CYS 19 -0.007 -7.799 -7.799 118 1HB CYS 19 1HB CYS 19 1.483 -5.525 -5.525 119 2HB CYS 19 2HB CYS 19 1.676 -5.989 -5.989 120 H GLY 20 H GLY 20 2.189 -8.498 -8.498 121 1HA GLY 20 1HA GLY 20 4.278 -9.350 -9.350 122 2HA GLY 20 2HA GLY 20 3.663 -10.451 -10.451 123 HA PRO 21 HA PRO 21 7.146 -8.733 -8.733 124 1HB PRO 21 1HB PRO 21 6.504 -9.846 -9.846 125 2HB PRO 21 2HB PRO 21 7.164 -10.818 -10.818 126 1HG PRO 21 1HG PRO 21 4.271 -10.493 -10.493 127 2HG PRO 21 2HG PRO 21 5.122 -11.998 -11.998 128 1HD PRO 21 1HD PRO 21 3.570 -10.796 -10.796 129 2HD PRO 21 2HD PRO 21 5.101 -11.575 -11.575 130 H LEU 22 H LEU 22 3.725 -8.536 -8.536 131 HA LEU 22 HA LEU 22 4.096 -6.465 -6.465 132 1HB LEU 22 1HB LEU 22 1.543 -7.138 -7.138 133 2HB LEU 22 2HB LEU 22 1.727 -6.440 -6.440 134 HG LEU 22 HG LEU 22 2.296 -9.313 -9.313 135 1HD1 LEU 22 1HD1 LEU 22 -0.069 -8.745 -8.745 136 2HD1 LEU 22 2HD1 LEU 22 0.225 -8.138 -8.138 137 3HD1 LEU 22 3HD1 LEU 22 0.454 -9.862 -9.862 138 1HD2 LEU 22 1HD2 LEU 22 2.658 -8.024 -8.024 139 2HD2 LEU 22 2HD2 LEU 22 3.971 -8.633 -8.633 140 3HD2 LEU 22 3HD2 LEU 22 2.803 -9.763 -9.763 141 H ILE 23 H ILE 23 4.496 -6.369 -6.369 142 HA ILE 23 HA ILE 23 3.212 -3.915 -3.915 143 HB ILE 23 HB ILE 23 5.870 -5.018 -5.018 144 1HG1 ILE 23 1HG1 ILE 23 3.154 -4.848 -4.848 145 2HG1 ILE 23 2HG1 ILE 23 3.693 -6.297 -6.297 146 1HG2 ILE 23 1HG2 ILE 23 4.126 -2.705 -2.705 147 2HG2 ILE 23 2HG2 ILE 23 5.501 -3.368 -3.368 148 3HG2 ILE 23 3HG2 ILE 23 5.776 -2.567 -2.567 149 1HD1 ILE 23 1HD1 ILE 23 5.761 -6.248 -6.248 150 2HD1 ILE 23 2HD1 ILE 23 4.873 -5.113 -5.113 151 3HD1 ILE 23 3HD1 ILE 23 4.208 -6.728 -6.728 152 H GLU 24 H GLU 24 6.160 -4.760 -4.760 153 HA GLU 24 HA GLU 24 7.008 -2.063 -2.063 154 1HB GLU 24 1HB GLU 24 8.361 -4.203 -4.203 155 2HB GLU 24 2HB GLU 24 7.396 -4.285 -4.285 156 1HG GLU 24 1HG GLU 24 8.149 -1.922 -1.922 157 2HG GLU 24 2HG GLU 24 9.138 -1.946 -1.946 158 H ILE 25 H ILE 25 5.216 -3.855 -3.855 159 HA ILE 25 HA ILE 25 4.742 -1.521 -1.521 160 HB ILE 25 HB ILE 25 3.201 -4.116 -4.116 161 1HG1 ILE 25 1HG1 ILE 25 5.431 -4.158 -4.158 162 2HG1 ILE 25 2HG1 ILE 25 4.092 -4.712 -4.712 163 1HG2 ILE 25 3HG2 ILE 25 2.449 -1.841 -1.841 164 2HG2 ILE 25 1HG2 ILE 25 1.944 -3.527 -3.527 165 3HG2 ILE 25 2HG2 ILE 25 1.441 -2.652 -2.652 166 1HD1 ILE 25 2HD1 ILE 25 4.067 -2.526 -2.526 167 2HD1 ILE 25 3HD1 ILE 25 5.445 -1.977 -1.977 168 3HD1 ILE 25 1HD1 ILE 25 5.632 -3.338 -3.338 169 H CYS 26 H CYS 26 3.133 -2.626 -2.626 170 HA CYS 26 HA CYS 26 0.858 -0.865 -0.865 171 1HB CYS 26 1HB CYS 26 1.107 -2.943 -2.943 172 2HB CYS 26 2HB CYS 26 2.081 -2.042 -2.042 173 H GLU 27 H GLU 27 4.020 -0.714 -0.714 174 HA GLU 27 HA GLU 27 3.435 1.823 1.823 175 1HB GLU 27 1HB GLU 27 5.136 -0.032 -0.032 176 2HB GLU 27 2HB GLU 27 6.220 0.707 0.707 177 1HG GLU 27 1HG GLU 27 5.759 2.926 2.926 178 2HG GLU 27 2HG GLU 27 4.973 1.897 1.897 179 H LEU 28 H LEU 28 4.881 0.711 0.711 180 HA LEU 28 HA LEU 28 5.931 3.213 3.213 181 1HB LEU 28 1HB LEU 28 5.368 0.471 0.471 182 2HB LEU 28 2HB LEU 28 5.198 1.677 1.677 183 HG LEU 28 HG LEU 28 7.423 0.576 0.576 184 1HD1 LEU 28 3HD1 LEU 28 7.086 2.764 2.764 185 2HD1 LEU 28 1HD1 LEU 28 7.492 3.603 3.603 186 3HD1 LEU 28 2HD1 LEU 28 8.706 2.604 2.604 187 1HD2 LEU 28 2HD2 LEU 28 7.621 0.469 0.469 188 2HD2 LEU 28 3HD2 LEU 28 9.030 1.220 1.220 189 3HD2 LEU 28 1HD2 LEU 28 7.840 2.229 2.229 190 H THR 29 H THR 29 2.843 1.511 1.511 191 HA THR 29 HA THR 29 1.710 3.612 3.612 192 HB THR 29 HB THR 29 0.345 1.686 1.686 193 HG1 THR 29 1HG THR 29 1.415 0.580 0.580 194 1HG2 THR 29 3HG2 THR 29 -0.813 3.415 3.415 195 2HG2 THR 29 1HG2 THR 29 -1.699 2.095 2.095 196 3HG2 THR 29 2HG2 THR 29 -1.209 3.511 3.511 197 H VAL 30 H VAL 30 1.455 3.015 3.015 198 HA VAL 30 HA VAL 30 -0.076 5.319 5.319 199 HB VAL 30 HB VAL 30 1.801 3.810 3.810 200 1HG1 VAL 30 3HG1 VAL 30 1.163 6.135 6.135 201 2HG1 VAL 30 1HG1 VAL 30 -0.526 5.660 5.660 202 3HG1 VAL 30 2HG1 VAL 30 0.460 4.838 4.838 203 1HG2 VAL 30 2HG2 VAL 30 -1.225 3.695 3.695 204 2HG2 VAL 30 3HG2 VAL 30 -0.107 2.428 2.428 205 3HG2 VAL 30 1HG2 VAL 30 -0.374 2.788 2.788 206 H MET 31 H MET 31 3.541 4.954 4.954 207 HA MET 31 HA MET 31 4.256 7.565 7.565 208 1HB MET 31 1HB MET 31 5.412 5.430 5.430 209 2HB MET 31 2HB MET 31 6.156 6.971 6.971 210 1HG MET 31 1HG MET 31 5.786 5.694 5.694 211 2HG MET 31 2HG MET 31 7.293 5.761 5.761 212 1HE MET 31 1HE MET 31 8.737 7.817 7.817 213 2HE MET 31 2HE MET 31 7.383 8.700 8.700 214 3HE MET 31 3HE MET 31 8.312 9.444 9.444 215 H GLN 32 H GLN 32 3.352 6.171 6.171 216 HA GLN 32 HA GLN 32 3.852 8.555 8.555 217 1HB GLN 32 1HB GLN 32 3.622 5.828 5.828 218 2HB GLN 32 2HB GLN 32 2.124 6.444 6.444 219 1HG GLN 32 1HG GLN 32 4.969 7.367 7.367 220 2HG GLN 32 2HG GLN 32 3.953 6.326 6.326 221 1HE2 GLN 32 2HE2 GLN 32 3.422 10.386 10.386 222 2HE2 GLN 32 1HE2 GLN 32 4.707 9.631 9.631 223 H ASN 33 H ASN 33 1.210 7.550 7.550 224 HA ASN 33 HA ASN 33 -0.864 8.851 8.851 225 1HB ASN 33 1HB ASN 33 -0.890 6.417 6.417 226 2HB ASN 33 2HB ASN 33 -0.904 6.609 6.609 227 1HD2 ASN 33 2HD2 ASN 33 -4.310 5.969 5.969 228 2HD2 ASN 33 1HD2 ASN 33 -2.777 5.485 5.485 229 H CYS 34 H CYS 34 0.429 8.743 8.743 230 HA CYS 34 HA CYS 34 -1.019 11.116 11.116 231 1HB CYS 34 1HB CYS 34 -2.303 10.192 10.192 232 2HB CYS 34 2HB CYS 34 -2.563 8.974 8.974 233 H GLU 35 H GLU 35 -0.323 11.177 11.177 234 HA GLU 35 HA GLU 35 2.641 10.856 10.856 235 1HB GLU 35 1HB GLU 35 1.590 13.123 13.123 236 2HB GLU 35 2HB GLU 35 1.176 12.532 12.532 237 1HG GLU 35 1HG GLU 35 3.345 13.561 13.561 238 2HG GLU 35 2HG GLU 35 3.672 11.845 11.845 239 HA PRO 36 HA PRO 36 1.802 7.721 7.721 240 1HB PRO 36 1HB PRO 36 3.850 5.972 5.972 241 2HB PRO 36 2HB PRO 36 2.262 5.995 5.995 242 1HG PRO 36 1HG PRO 36 4.888 7.261 7.261 243 2HG PRO 36 2HG PRO 36 3.784 6.293 6.293 244 1HD PRO 36 1HD PRO 36 3.850 9.054 9.054 245 2HD PRO 36 2HD PRO 36 2.360 8.127 8.127 246 HA PRO 37 HA PRO 37 3.138 5.831 5.831 247 1HB PRO 37 1HB PRO 37 3.635 5.568 5.568 248 2HB PRO 37 2HB PRO 37 4.893 5.295 5.295 249 1HG PRO 37 1HG PRO 37 4.442 7.820 7.820 250 2HG PRO 37 2HG PRO 37 5.973 6.947 6.947 251 1HD PRO 37 1HD PRO 37 5.305 9.103 9.103 252 2HD PRO 37 2HD PRO 37 6.162 7.707 7.707 253 H PHE 38 H PHE 38 0.787 5.775 5.775 254 HA PHE 38 HA PHE 38 -0.322 8.269 8.269 255 1HB PHE 38 1HB PHE 38 -1.463 7.496 7.496 256 2HB PHE 38 2HB PHE 38 -1.188 5.839 5.839 257 HD1 PHE 38 2HD PHE 38 -2.422 4.751 4.751 258 HD2 PHE 38 1HD PHE 38 -3.628 8.207 8.207 259 HE1 PHE 38 2HE PHE 38 -4.774 4.335 4.335 260 HE2 PHE 38 1HE PHE 38 -6.000 7.810 7.810 261 1HZ PHE 38 HZ PHE 38 -6.582 5.843 5.843 262 H SER 39 H SER 39 -2.122 7.883 7.883 263 HA SER 39 HA SER 39 -0.922 6.948 6.948 264 1HB SER 39 1HB SER 39 -3.325 7.867 7.867 265 2HB SER 39 2HB SER 39 -2.025 8.945 8.945 266 HG SER 39 HG SER 39 -4.277 8.129 8.129 Start of MODEL 7 1 HA ASP 1 HA ASP 1 -7.670 -8.964 -8.964 2 1HB ASP 1 1HB ASP 1 -5.426 -10.158 -10.158 3 2HB ASP 1 2HB ASP 1 -4.766 -9.027 -9.027 4 H GLU 2 H GLU 2 -7.339 -8.718 -8.718 5 HA GLU 2 HA GLU 2 -8.103 -6.119 -6.119 6 1HB GLU 2 1HB GLU 2 -6.698 -8.122 -8.122 7 2HB GLU 2 2HB GLU 2 -7.648 -6.706 -6.706 8 1HG GLU 2 1HG GLU 2 -9.610 -7.732 -7.732 9 2HG GLU 2 2HG GLU 2 -8.636 -9.209 -9.209 10 H CYS 3 H CYS 3 -4.826 -7.461 -7.461 11 HA CYS 3 HA CYS 3 -3.316 -5.344 -5.344 12 1HB CYS 3 1HB CYS 3 -2.193 -7.358 -7.358 13 2HB CYS 3 2HB CYS 3 -2.813 -7.249 -7.249 14 H ALA 4 H ALA 4 -4.525 -5.723 -5.723 15 HA ALA 4 HA ALA 4 -3.359 -3.305 -3.305 16 1HB ALA 4 3HB ALA 4 -5.796 -4.866 -4.866 17 2HB ALA 4 1HB ALA 4 -5.002 -3.539 -3.539 18 3HB ALA 4 2HB ALA 4 -4.116 -5.043 -5.043 19 H ASN 5 H ASN 5 -6.515 -4.102 -4.102 20 HA ASN 5 HA ASN 5 -7.687 -1.510 -1.510 21 1HB ASN 5 1HB ASN 5 -8.259 -3.614 -3.614 22 2HB ASN 5 2HB ASN 5 -9.164 -2.121 -2.121 23 1HD2 ASN 5 2HD2 ASN 5 -9.736 -4.390 -4.390 24 2HD2 ASN 5 1HD2 ASN 5 -8.202 -3.576 -3.576 25 H ALA 6 H ALA 6 -5.713 -2.869 -2.869 26 HA ALA 6 HA ALA 6 -5.786 -0.612 -0.612 27 1HB ALA 6 2HB ALA 6 -4.810 -2.808 -2.808 28 2HB ALA 6 3HB ALA 6 -3.461 -2.542 -2.542 29 3HB ALA 6 1HB ALA 6 -3.671 -1.454 -1.454 30 H ALA 7 H ALA 7 -3.563 -1.433 -1.433 31 HA ALA 7 HA ALA 7 -1.963 0.877 0.877 32 1HB ALA 7 1HB ALA 7 -1.651 -1.237 -1.237 33 2HB ALA 7 2HB ALA 7 -2.758 -0.467 -0.467 34 3HB ALA 7 3HB ALA 7 -1.239 0.330 0.330 35 H ALA 8 H ALA 8 -4.981 0.320 0.320 36 HA ALA 8 HA ALA 8 -5.107 2.914 2.914 37 1HB ALA 8 2HB ALA 8 -7.308 0.924 0.924 38 2HB ALA 8 3HB ALA 8 -7.534 2.392 2.392 39 3HB ALA 8 1HB ALA 8 -6.458 1.104 1.104 40 H GLN 9 H GLN 9 -6.205 1.655 1.655 41 HA GLN 9 HA GLN 9 -7.764 3.946 3.946 42 1HB GLN 9 1HB GLN 9 -8.030 1.601 1.601 43 2HB GLN 9 2HB GLN 9 -6.504 1.784 1.784 44 1HG GLN 9 1HG GLN 9 -7.553 3.644 3.644 45 2HG GLN 9 2HG GLN 9 -9.078 3.343 3.343 46 1HE2 GLN 9 2HE2 GLN 9 -9.057 1.504 1.504 47 2HE2 GLN 9 1HE2 GLN 9 -9.102 3.156 3.156 48 H CYS 10 H CYS 10 -4.320 3.262 3.262 49 HA CYS 10 HA CYS 10 -2.532 4.424 4.424 50 1HB CYS 10 1HB CYS 10 -3.255 6.484 6.484 51 2HB CYS 10 2HB CYS 10 -4.452 6.733 6.733 52 H SER 11 H SER 11 -2.737 2.602 2.602 53 HA SER 11 HA SER 11 -1.823 3.857 3.857 54 1HB SER 11 1HB SER 11 -4.170 3.203 3.203 55 2HB SER 11 2HB SER 11 -3.896 1.612 1.612 56 HG SER 11 HG SER 11 -3.684 1.862 1.862 57 H ILE 12 H ILE 12 -0.056 3.026 3.026 58 HA ILE 12 HA ILE 12 1.178 0.785 0.785 59 HB ILE 12 HB ILE 12 2.149 2.495 2.495 60 1HG1 ILE 12 1HG1 ILE 12 1.717 3.920 3.920 61 2HG1 ILE 12 2HG1 ILE 12 3.431 3.662 3.662 62 1HG2 ILE 12 1HG2 ILE 12 3.518 0.452 0.452 63 2HG2 ILE 12 2HG2 ILE 12 4.383 1.645 1.645 64 3HG2 ILE 12 3HG2 ILE 12 3.356 0.431 0.431 65 1HD1 ILE 12 3HD1 ILE 12 3.234 1.865 1.865 66 2HD1 ILE 12 1HD1 ILE 12 1.563 2.424 2.424 67 3HD1 ILE 12 2HD1 ILE 12 2.913 3.524 3.524 68 H THR 13 H THR 13 -0.703 1.569 1.569 69 HA THR 13 HA THR 13 0.200 -0.709 -0.709 70 HB THR 13 HB THR 13 -2.443 0.735 0.735 71 HG1 THR 13 1HG THR 13 -1.195 2.266 2.266 72 1HG2 THR 13 3HG2 THR 13 -0.368 -0.547 -0.547 73 2HG2 THR 13 1HG2 THR 13 -1.795 0.346 0.346 74 3HG2 THR 13 2HG2 THR 13 -1.989 -1.145 -1.145 75 H LEU 14 H LEU 14 -2.544 -0.011 -0.011 76 HA LEU 14 HA LEU 14 -3.491 -2.783 -2.783 77 1HB LEU 14 1HB LEU 14 -4.316 -0.484 -0.484 78 2HB LEU 14 2HB LEU 14 -4.982 -2.081 -2.081 79 HG LEU 14 HG LEU 14 -4.936 -0.865 -0.865 80 1HD1 LEU 14 1HD1 LEU 14 -6.880 -0.075 -0.075 81 2HD1 LEU 14 2HD1 LEU 14 -7.002 0.358 0.358 82 3HD1 LEU 14 3HD1 LEU 14 -5.703 1.026 1.026 83 1HD2 LEU 14 3HD2 LEU 14 -5.747 -3.148 -3.148 84 2HD2 LEU 14 1HD2 LEU 14 -7.045 -2.099 -2.099 85 3HD2 LEU 14 2HD2 LEU 14 -6.935 -2.425 -2.425 86 H CYS 15 H CYS 15 -1.238 -0.984 -0.984 87 HA CYS 15 HA CYS 15 -0.927 -2.955 -2.955 88 1HB CYS 15 1HB CYS 15 1.260 -1.272 -1.272 89 2HB CYS 15 2HB CYS 15 1.543 -2.378 -2.378 90 H ASN 16 H ASN 16 1.332 -2.630 -2.630 91 HA ASN 16 HA ASN 16 2.404 -5.137 -5.137 92 1HB ASN 16 1HB ASN 16 2.330 -3.671 -3.671 93 2HB ASN 16 2HB ASN 16 3.504 -4.874 -4.874 94 1HD2 ASN 16 2HD2 ASN 16 5.486 -1.972 -1.972 95 2HD2 ASN 16 1HD2 ASN 16 5.323 -3.479 -3.479 96 H LEU 17 H LEU 17 -0.623 -4.402 -4.402 97 HA LEU 17 HA LEU 17 -0.934 -6.588 -6.588 98 1HB LEU 17 1HB LEU 17 -2.468 -4.615 -4.615 99 2HB LEU 17 2HB LEU 17 -3.128 -5.506 -5.506 100 HG LEU 17 HG LEU 17 -4.371 -5.460 -5.460 101 1HD1 LEU 17 1HD1 LEU 17 -4.897 -7.066 -7.066 102 2HD1 LEU 17 2HD1 LEU 17 -3.736 -8.219 -8.219 103 3HD1 LEU 17 3HD1 LEU 17 -5.169 -7.732 -7.732 104 1HD2 LEU 17 3HD2 LEU 17 -2.309 -5.925 -5.925 105 2HD2 LEU 17 1HD2 LEU 17 -3.739 -6.927 -6.927 106 3HD2 LEU 17 2HD2 LEU 17 -2.400 -7.610 -7.610 107 H TYR 18 H TYR 18 -1.398 -6.497 -6.497 108 HA TYR 18 HA TYR 18 -1.566 -9.519 -9.519 109 1HB TYR 18 1HB TYR 18 -3.027 -7.480 -7.480 110 2HB TYR 18 2HB TYR 18 -3.075 -9.222 -9.222 111 HD1 TYR 18 1HD TYR 18 -3.430 -10.300 -10.300 112 HD2 TYR 18 2HD TYR 18 -5.266 -6.944 -6.944 113 HE1 TYR 18 1HE TYR 18 -5.562 -10.831 -10.831 114 HE2 TYR 18 2HE TYR 18 -7.444 -7.590 -7.590 115 HH TYR 18 HH TYR 18 -8.432 -9.711 -9.711 116 H CYS 19 H CYS 19 -0.051 -6.752 -6.752 117 HA CYS 19 HA CYS 19 0.049 -7.828 -7.828 118 1HB CYS 19 1HB CYS 19 1.538 -5.599 -5.599 119 2HB CYS 19 2HB CYS 19 1.815 -5.999 -5.999 120 H GLY 20 H GLY 20 2.381 -8.493 -8.493 121 1HA GLY 20 1HA GLY 20 4.467 -9.417 -9.417 122 2HA GLY 20 2HA GLY 20 3.729 -10.558 -10.558 123 HA PRO 21 HA PRO 21 7.060 -8.946 -8.946 124 1HB PRO 21 1HB PRO 21 6.298 -10.098 -10.098 125 2HB PRO 21 2HB PRO 21 7.015 -11.045 -11.045 126 1HG PRO 21 1HG PRO 21 4.072 -10.713 -10.713 127 2HG PRO 21 2HG PRO 21 4.961 -12.240 -12.240 128 1HD PRO 21 1HD PRO 21 3.611 -11.108 -11.108 129 2HD PRO 21 2HD PRO 21 5.241 -11.778 -11.778 130 H LEU 22 H LEU 22 3.580 -8.616 -8.616 131 HA LEU 22 HA LEU 22 3.830 -6.619 -6.619 132 1HB LEU 22 1HB LEU 22 1.511 -7.109 -7.109 133 2HB LEU 22 2HB LEU 22 1.461 -6.298 -6.298 134 HG LEU 22 HG LEU 22 2.183 -9.248 -9.248 135 1HD1 LEU 22 3HD1 LEU 22 -0.049 -8.851 -8.851 136 2HD1 LEU 22 1HD1 LEU 22 -0.525 -8.028 -8.028 137 3HD1 LEU 22 2HD1 LEU 22 -0.125 -9.759 -9.759 138 1HD2 LEU 22 1HD2 LEU 22 1.282 -7.619 -7.619 139 2HD2 LEU 22 2HD2 LEU 22 2.924 -8.232 -8.232 140 3HD2 LEU 22 3HD2 LEU 22 1.593 -9.367 -9.367 141 H ILE 23 H ILE 23 4.475 -6.524 -6.524 142 HA ILE 23 HA ILE 23 3.405 -4.035 -4.035 143 HB ILE 23 HB ILE 23 5.969 -5.408 -5.408 144 1HG1 ILE 23 1HG1 ILE 23 3.312 -4.902 -4.902 145 2HG1 ILE 23 2HG1 ILE 23 3.637 -6.374 -6.374 146 1HG2 ILE 23 3HG2 ILE 23 4.623 -2.912 -2.912 147 2HG2 ILE 23 1HG2 ILE 23 5.901 -3.826 -3.826 148 3HG2 ILE 23 2HG2 ILE 23 6.259 -3.006 -3.006 149 1HD1 ILE 23 3HD1 ILE 23 5.592 -6.833 -6.833 150 2HD1 ILE 23 1HD1 ILE 23 5.015 -5.508 -5.508 151 3HD1 ILE 23 2HD1 ILE 23 3.995 -6.923 -6.923 152 H GLU 24 H GLU 24 6.308 -4.817 -4.817 153 HA GLU 24 HA GLU 24 7.244 -2.156 -2.156 154 1HB GLU 24 1HB GLU 24 8.611 -4.236 -4.236 155 2HB GLU 24 2HB GLU 24 7.667 -4.342 -4.342 156 1HG GLU 24 1HG GLU 24 8.609 -1.965 -1.965 157 2HG GLU 24 2HG GLU 24 9.789 -2.309 -2.309 158 H ILE 25 H ILE 25 5.450 -3.779 -3.779 159 HA ILE 25 HA ILE 25 5.050 -1.414 -1.414 160 HB ILE 25 HB ILE 25 3.424 -3.969 -3.969 161 1HG1 ILE 25 1HG1 ILE 25 5.578 -4.531 -4.531 162 2HG1 ILE 25 2HG1 ILE 25 4.580 -4.433 -4.433 163 1HG2 ILE 25 2HG2 ILE 25 3.215 -1.690 -1.690 164 2HG2 ILE 25 3HG2 ILE 25 2.509 -3.307 -3.307 165 3HG2 ILE 25 1HG2 ILE 25 1.958 -2.296 -2.296 166 1HD1 ILE 25 2HD1 ILE 25 5.527 -2.089 -2.089 167 2HD1 ILE 25 3HD1 ILE 25 6.659 -2.412 -2.412 168 3HD1 ILE 25 1HD1 ILE 25 6.710 -3.399 -3.399 169 H CYS 26 H CYS 26 3.511 -2.598 -2.598 170 HA CYS 26 HA CYS 26 1.159 -0.984 -0.984 171 1HB CYS 26 1HB CYS 26 1.468 -3.027 -3.027 172 2HB CYS 26 2HB CYS 26 2.335 -2.033 -2.033 173 H GLU 27 H GLU 27 4.298 -0.702 -0.702 174 HA GLU 27 HA GLU 27 3.691 1.868 1.868 175 1HB GLU 27 1HB GLU 27 5.591 0.275 0.275 176 2HB GLU 27 2HB GLU 27 6.485 0.911 0.911 177 1HG GLU 27 1HG GLU 27 5.994 3.262 3.262 178 2HG GLU 27 2HG GLU 27 5.421 2.439 2.439 179 H LEU 28 H LEU 28 5.165 0.773 0.773 180 HA LEU 28 HA LEU 28 5.883 3.335 3.335 181 1HB LEU 28 1HB LEU 28 5.433 0.585 0.585 182 2HB LEU 28 2HB LEU 28 4.961 1.748 1.748 183 HG LEU 28 HG LEU 28 7.221 0.851 0.851 184 1HD1 LEU 28 3HD1 LEU 28 6.621 3.004 3.004 185 2HD1 LEU 28 1HD1 LEU 28 7.089 3.861 3.861 186 3HD1 LEU 28 2HD1 LEU 28 8.316 2.999 2.999 187 1HD2 LEU 28 3HD2 LEU 28 7.872 0.665 0.665 188 2HD2 LEU 28 1HD2 LEU 28 9.059 1.610 1.610 189 3HD2 LEU 28 2HD2 LEU 28 7.941 2.435 2.435 190 H THR 29 H THR 29 2.850 1.509 1.509 191 HA THR 29 HA THR 29 1.464 3.470 3.470 192 HB THR 29 HB THR 29 0.438 1.551 1.551 193 HG1 THR 29 1HG THR 29 1.444 0.454 0.454 194 1HG2 THR 29 3HG2 THR 29 -1.060 3.157 3.157 195 2HG2 THR 29 1HG2 THR 29 -1.763 1.772 1.772 196 3HG2 THR 29 2HG2 THR 29 -1.269 3.205 3.205 197 H VAL 30 H VAL 30 1.573 2.954 2.954 198 HA VAL 30 HA VAL 30 -0.160 5.114 5.114 199 HB VAL 30 HB VAL 30 1.901 3.650 3.650 200 1HG1 VAL 30 2HG1 VAL 30 1.177 5.880 5.880 201 2HG1 VAL 30 3HG1 VAL 30 -0.495 5.282 5.282 202 3HG1 VAL 30 1HG1 VAL 30 0.653 4.478 4.478 203 1HG2 VAL 30 2HG2 VAL 30 -1.132 3.382 3.382 204 2HG2 VAL 30 3HG2 VAL 30 0.013 2.217 2.217 205 3HG2 VAL 30 1HG2 VAL 30 -0.153 2.451 2.451 206 H MET 31 H MET 31 3.431 5.026 5.026 207 HA MET 31 HA MET 31 3.875 7.736 7.736 208 1HB MET 31 1HB MET 31 5.497 5.636 5.636 209 2HB MET 31 2HB MET 31 5.531 6.568 6.568 210 1HG MET 31 1HG MET 31 6.051 8.625 8.625 211 2HG MET 31 2HG MET 31 6.339 7.472 7.472 212 1HE MET 31 2HE MET 31 8.431 9.641 9.641 213 2HE MET 31 3HE MET 31 8.765 8.454 8.454 214 3HE MET 31 1HE MET 31 9.926 8.680 8.680 215 H GLN 32 H GLN 32 3.121 6.171 6.171 216 HA GLN 32 HA GLN 32 3.482 8.442 8.442 217 1HB GLN 32 1HB GLN 32 3.158 5.799 5.799 218 2HB GLN 32 2HB GLN 32 1.527 6.370 6.370 219 1HG GLN 32 1HG GLN 32 2.895 6.357 6.357 220 2HG GLN 32 2HG GLN 32 2.507 8.032 8.032 221 1HE2 GLN 32 2HE2 GLN 32 5.964 8.880 8.880 222 2HE2 GLN 32 1HE2 GLN 32 4.293 9.417 9.417 223 H ASN 33 H ASN 33 0.527 7.126 7.126 224 HA ASN 33 HA ASN 33 -1.036 9.340 9.340 225 1HB ASN 33 1HB ASN 33 -2.732 8.191 8.191 226 2HB ASN 33 2HB ASN 33 -2.702 7.998 7.998 227 1HD2 ASN 33 2HD2 ASN 33 -1.962 4.806 4.806 228 2HD2 ASN 33 1HD2 ASN 33 -1.940 6.377 6.377 229 H CYS 34 H CYS 34 -0.005 8.362 8.362 230 HA CYS 34 HA CYS 34 -0.990 10.986 10.986 231 1HB CYS 34 1HB CYS 34 -1.961 9.925 9.925 232 2HB CYS 34 2HB CYS 34 -2.398 8.847 8.847 233 H GLU 35 H GLU 35 -0.019 10.971 10.971 234 HA GLU 35 HA GLU 35 2.919 10.543 10.543 235 1HB GLU 35 1HB GLU 35 2.053 12.841 12.841 236 2HB GLU 35 2HB GLU 35 1.477 12.289 12.289 237 1HG GLU 35 1HG GLU 35 3.788 11.605 11.605 238 2HG GLU 35 2HG GLU 35 4.364 12.085 12.085 239 HA PRO 36 HA PRO 36 1.922 7.462 7.462 240 1HB PRO 36 1HB PRO 36 3.888 5.632 5.632 241 2HB PRO 36 2HB PRO 36 2.329 5.734 5.734 242 1HG PRO 36 1HG PRO 36 5.039 6.840 6.840 243 2HG PRO 36 2HG PRO 36 3.890 5.946 5.946 244 1HD PRO 36 1HD PRO 36 4.121 8.711 8.711 245 2HD PRO 36 2HD PRO 36 2.581 7.885 7.885 246 HA PRO 37 HA PRO 37 3.014 5.602 5.602 247 1HB PRO 37 1HB PRO 37 3.250 5.545 5.545 248 2HB PRO 37 2HB PRO 37 4.552 4.986 4.986 249 1HG PRO 37 1HG PRO 37 4.294 7.712 7.712 250 2HG PRO 37 2HG PRO 37 5.729 6.641 6.641 251 1HD PRO 37 1HD PRO 37 5.468 8.668 8.668 252 2HD PRO 37 2HD PRO 37 6.143 7.097 7.097 253 H PHE 38 H PHE 38 0.683 5.563 5.563 254 HA PHE 38 HA PHE 38 -0.436 8.190 8.190 255 1HB PHE 38 1HB PHE 38 -1.564 7.335 7.335 256 2HB PHE 38 2HB PHE 38 -1.124 5.700 5.700 257 HD1 PHE 38 1HD PHE 38 -2.294 4.440 4.440 258 HD2 PHE 38 2HD PHE 38 -3.635 8.103 8.103 259 HE1 PHE 38 1HE PHE 38 -4.515 4.112 4.112 260 HE2 PHE 38 2HE PHE 38 -5.923 7.742 7.742 261 1HZ PHE 38 HZ PHE 38 -6.372 5.671 5.671 262 H SER 39 H SER 39 -2.202 8.281 8.281 263 HA SER 39 HA SER 39 -1.152 7.063 7.063 264 1HB SER 39 1HB SER 39 -3.061 8.748 8.748 265 2HB SER 39 2HB SER 39 -1.371 9.172 9.172 266 HG SER 39 HG SER 39 -1.865 10.497 10.497 Start of MODEL 8 1 HA ASP 1 HA ASP 1 -6.588 -10.471 -10.471 2 1HB ASP 1 1HB ASP 1 -4.775 -9.143 -9.143 3 2HB ASP 1 2HB ASP 1 -5.231 -10.062 -10.062 4 H GLU 2 H GLU 2 -6.044 -8.739 -8.739 5 HA GLU 2 HA GLU 2 -7.967 -6.462 -6.462 6 1HB GLU 2 1HB GLU 2 -6.993 -8.301 -8.301 7 2HB GLU 2 2HB GLU 2 -7.958 -6.834 -6.834 8 1HG GLU 2 1HG GLU 2 -9.811 -7.770 -7.770 9 2HG GLU 2 2HG GLU 2 -8.868 -9.202 -9.202 10 H CYS 3 H CYS 3 -4.716 -7.710 -7.710 11 HA CYS 3 HA CYS 3 -3.286 -5.618 -5.618 12 1HB CYS 3 1HB CYS 3 -2.167 -7.630 -7.630 13 2HB CYS 3 2HB CYS 3 -2.697 -7.403 -7.403 14 H ALA 4 H ALA 4 -4.716 -5.750 -5.750 15 HA ALA 4 HA ALA 4 -3.540 -3.286 -3.286 16 1HB ALA 4 3HB ALA 4 -4.448 -4.973 -4.973 17 2HB ALA 4 1HB ALA 4 -6.099 -4.611 -4.611 18 3HB ALA 4 2HB ALA 4 -5.151 -3.368 -3.368 19 H ASN 5 H ASN 5 -6.618 -4.126 -4.126 20 HA ASN 5 HA ASN 5 -7.816 -1.543 -1.543 21 1HB ASN 5 1HB ASN 5 -8.084 -3.673 -3.673 22 2HB ASN 5 2HB ASN 5 -9.086 -2.234 -2.234 23 1HD2 ASN 5 2HD2 ASN 5 -10.658 -5.321 -5.321 24 2HD2 ASN 5 1HD2 ASN 5 -9.782 -5.178 -5.178 25 H ALA 6 H ALA 6 -5.584 -3.002 -3.002 26 HA ALA 6 HA ALA 6 -5.436 -0.831 -0.831 27 1HB ALA 6 2HB ALA 6 -4.335 -2.991 -2.991 28 2HB ALA 6 3HB ALA 6 -3.162 -2.653 -2.653 29 3HB ALA 6 1HB ALA 6 -3.210 -1.614 -1.614 30 H ALA 7 H ALA 7 -3.729 -1.266 -1.266 31 HA ALA 7 HA ALA 7 -2.077 1.077 1.077 32 1HB ALA 7 2HB ALA 7 -1.672 -0.780 -0.780 33 2HB ALA 7 3HB ALA 7 -3.042 -0.167 -0.167 34 3HB ALA 7 1HB ALA 7 -1.626 0.855 0.855 35 H ALA 8 H ALA 8 -5.235 0.429 0.429 36 HA ALA 8 HA ALA 8 -5.698 3.081 3.081 37 1HB ALA 8 1HB ALA 8 -6.997 1.111 1.111 38 2HB ALA 8 2HB ALA 8 -7.752 1.006 1.006 39 3HB ALA 8 3HB ALA 8 -8.040 2.423 2.423 40 H GLN 9 H GLN 9 -6.184 1.585 1.585 41 HA GLN 9 HA GLN 9 -7.704 3.736 3.736 42 1HB GLN 9 1HB GLN 9 -7.501 1.267 1.267 43 2HB GLN 9 2HB GLN 9 -6.023 1.689 1.689 44 1HG GLN 9 1HG GLN 9 -8.677 3.110 3.110 45 2HG GLN 9 2HG GLN 9 -8.324 1.528 1.528 46 1HE2 GLN 9 2HE2 GLN 9 -7.413 3.457 3.457 47 2HE2 GLN 9 1HE2 GLN 9 -8.846 2.936 2.936 48 H CYS 10 H CYS 10 -4.317 3.262 3.262 49 HA CYS 10 HA CYS 10 -2.473 4.424 4.424 50 1HB CYS 10 1HB CYS 10 -4.284 6.731 6.731 51 2HB CYS 10 2HB CYS 10 -2.534 6.815 6.815 52 H SER 11 H SER 11 -2.720 2.537 2.537 53 HA SER 11 HA SER 11 -1.405 3.814 3.814 54 1HB SER 11 1HB SER 11 -3.761 3.507 3.507 55 2HB SER 11 2HB SER 11 -3.808 1.903 1.903 56 HG SER 11 HG SER 11 -2.936 2.652 2.652 57 H ILE 12 H ILE 12 0.337 3.019 3.019 58 HA ILE 12 HA ILE 12 1.432 0.692 0.692 59 HB ILE 12 HB ILE 12 2.187 2.762 2.762 60 1HG1 ILE 12 1HG1 ILE 12 3.940 3.199 3.199 61 2HG1 ILE 12 2HG1 ILE 12 3.357 1.756 1.756 62 1HG2 ILE 12 3HG2 ILE 12 3.793 0.302 0.302 63 2HG2 ILE 12 1HG2 ILE 12 4.451 1.719 1.719 64 3HG2 ILE 12 2HG2 ILE 12 3.225 0.710 0.710 65 1HD1 ILE 12 2HD1 ILE 12 1.672 4.225 4.225 66 2HD1 ILE 12 3HD1 ILE 12 2.744 3.772 3.772 67 3HD1 ILE 12 1HD1 ILE 12 1.390 2.750 2.750 68 H THR 13 H THR 13 -0.179 1.356 1.356 69 HA THR 13 HA THR 13 0.532 -1.178 -1.178 70 HB THR 13 HB THR 13 -1.718 0.798 0.798 71 HG1 THR 13 1HG THR 13 -0.052 1.585 1.585 72 1HG2 THR 13 1HG2 THR 13 -0.372 -1.324 -1.324 73 2HG2 THR 13 2HG2 THR 13 -1.454 -0.049 -0.049 74 3HG2 THR 13 3HG2 THR 13 -2.085 -1.267 -1.267 75 H LEU 14 H LEU 14 -2.374 -0.001 -0.001 76 HA LEU 14 HA LEU 14 -3.602 -2.648 -2.648 77 1HB LEU 14 1HB LEU 14 -4.130 -0.224 -0.224 78 2HB LEU 14 2HB LEU 14 -4.920 -1.739 -1.739 79 HG LEU 14 HG LEU 14 -4.927 -0.740 -0.740 80 1HD1 LEU 14 1HD1 LEU 14 -6.588 0.503 0.503 81 2HD1 LEU 14 2HD1 LEU 14 -6.944 0.656 0.656 82 3HD1 LEU 14 3HD1 LEU 14 -5.456 1.351 1.351 83 1HD2 LEU 14 3HD2 LEU 14 -5.944 -2.859 -2.859 84 2HD2 LEU 14 1HD2 LEU 14 -7.191 -1.717 -1.717 85 3HD2 LEU 14 2HD2 LEU 14 -6.950 -1.943 -1.943 86 H CYS 15 H CYS 15 -1.159 -1.131 -1.131 87 HA CYS 15 HA CYS 15 -1.152 -3.152 -3.152 88 1HB CYS 15 1HB CYS 15 1.283 -1.635 -1.635 89 2HB CYS 15 2HB CYS 15 1.240 -2.663 -2.663 90 H ASN 16 H ASN 16 1.066 -2.888 -2.888 91 HA ASN 16 HA ASN 16 2.064 -5.536 -5.536 92 1HB ASN 16 1HB ASN 16 3.228 -5.236 -5.236 93 2HB ASN 16 2HB ASN 16 3.370 -3.802 -3.802 94 1HD2 ASN 16 2HD2 ASN 16 2.602 -1.803 -1.803 95 2HD2 ASN 16 1HD2 ASN 16 3.674 -2.178 -2.178 96 H LEU 17 H LEU 17 -0.838 -4.540 -4.540 97 HA LEU 17 HA LEU 17 -1.314 -6.825 -6.825 98 1HB LEU 17 1HB LEU 17 -2.673 -4.765 -4.765 99 2HB LEU 17 2HB LEU 17 -3.380 -5.386 -5.386 100 HG LEU 17 HG LEU 17 -4.614 -5.598 -5.598 101 1HD1 LEU 17 1HD1 LEU 17 -5.225 -6.744 -6.744 102 2HD1 LEU 17 2HD1 LEU 17 -4.233 -8.133 -8.133 103 3HD1 LEU 17 3HD1 LEU 17 -5.651 -7.668 -7.668 104 1HD2 LEU 17 2HD2 LEU 17 -2.733 -6.537 -6.537 105 2HD2 LEU 17 3HD2 LEU 17 -4.181 -7.551 -7.551 106 3HD2 LEU 17 1HD2 LEU 17 -2.816 -8.042 -8.042 107 H TYR 18 H TYR 18 -1.443 -6.602 -6.602 108 HA TYR 18 HA TYR 18 -1.767 -9.605 -9.605 109 1HB TYR 18 1HB TYR 18 -3.135 -7.503 -7.503 110 2HB TYR 18 2HB TYR 18 -3.130 -9.212 -9.212 111 HD1 TYR 18 2HD TYR 18 -3.676 -10.470 -10.470 112 HD2 TYR 18 1HD TYR 18 -5.441 -7.077 -7.077 113 HE1 TYR 18 2HE TYR 18 -5.656 -10.649 -10.649 114 HE2 TYR 18 1HE TYR 18 -7.474 -7.335 -7.335 115 HH TYR 18 HH TYR 18 -7.441 -9.445 -9.445 116 H CYS 19 H CYS 19 -0.081 -6.888 -6.888 117 HA CYS 19 HA CYS 19 0.133 -7.934 -7.934 118 1HB CYS 19 1HB CYS 19 1.449 -5.634 -5.634 119 2HB CYS 19 2HB CYS 19 1.767 -6.060 -6.060 120 H GLY 20 H GLY 20 2.421 -8.439 -8.439 121 1HA GLY 20 1HA GLY 20 4.565 -9.175 -9.175 122 2HA GLY 20 2HA GLY 20 3.985 -10.383 -10.383 123 HA PRO 21 HA PRO 21 7.350 -8.518 -8.518 124 1HB PRO 21 1HB PRO 21 6.890 -9.671 -9.671 125 2HB PRO 21 2HB PRO 21 7.573 -10.583 -10.583 126 1HG PRO 21 1HG PRO 21 4.670 -10.458 -10.458 127 2HG PRO 21 2HG PRO 21 5.639 -11.916 -11.916 128 1HD PRO 21 1HD PRO 21 4.001 -10.870 -10.870 129 2HD PRO 21 2HD PRO 21 5.591 -11.512 -11.512 130 H LEU 22 H LEU 22 3.886 -8.413 -8.413 131 HA LEU 22 HA LEU 22 4.206 -6.296 -6.296 132 1HB LEU 22 1HB LEU 22 1.683 -7.162 -7.162 133 2HB LEU 22 2HB LEU 22 1.832 -6.301 -6.301 134 HG LEU 22 HG LEU 22 2.511 -9.222 -9.222 135 1HD1 LEU 22 1HD1 LEU 22 0.119 -8.598 -8.598 136 2HD1 LEU 22 2HD1 LEU 22 0.558 -7.929 -7.929 137 3HD1 LEU 22 3HD1 LEU 22 0.745 -9.668 -9.668 138 1HD2 LEU 22 2HD2 LEU 22 3.063 -7.535 -7.535 139 2HD2 LEU 22 3HD2 LEU 22 4.242 -8.481 -8.481 140 3HD2 LEU 22 1HD2 LEU 22 3.012 -9.319 -9.319 141 H ILE 23 H ILE 23 4.652 -6.244 -6.244 142 HA ILE 23 HA ILE 23 3.143 -3.915 -3.915 143 HB ILE 23 HB ILE 23 5.796 -4.893 -4.893 144 1HG1 ILE 23 1HG1 ILE 23 3.034 -4.923 -4.923 145 2HG1 ILE 23 2HG1 ILE 23 3.612 -6.277 -6.277 146 1HG2 ILE 23 3HG2 ILE 23 3.858 -2.773 -2.773 147 2HG2 ILE 23 1HG2 ILE 23 5.290 -3.377 -3.377 148 3HG2 ILE 23 2HG2 ILE 23 5.480 -2.455 -2.455 149 1HD1 ILE 23 3HD1 ILE 23 5.521 -6.613 -6.613 150 2HD1 ILE 23 1HD1 ILE 23 4.874 -5.341 -5.341 151 3HD1 ILE 23 2HD1 ILE 23 3.937 -6.815 -6.815 152 H GLU 24 H GLU 24 6.383 -4.443 -4.443 153 HA GLU 24 HA GLU 24 6.884 -1.690 -1.690 154 1HB GLU 24 1HB GLU 24 8.506 -3.685 -3.685 155 2HB GLU 24 2HB GLU 24 7.672 -3.895 -3.895 156 1HG GLU 24 1HG GLU 24 8.178 -1.408 -1.408 157 2HG GLU 24 2HG GLU 24 9.203 -1.447 -1.447 158 H ILE 25 H ILE 25 5.332 -3.801 -3.801 159 HA ILE 25 HA ILE 25 4.838 -1.732 -1.732 160 HB ILE 25 HB ILE 25 3.490 -4.362 -4.362 161 1HG1 ILE 25 1HG1 ILE 25 4.153 -4.980 -4.980 162 2HG1 ILE 25 2HG1 ILE 25 4.876 -3.377 -3.377 163 1HG2 ILE 25 2HG2 ILE 25 2.386 -2.507 -2.507 164 2HG2 ILE 25 3HG2 ILE 25 2.010 -4.232 -4.232 165 3HG2 ILE 25 1HG2 ILE 25 1.545 -3.140 -3.140 166 1HD1 ILE 25 3HD1 ILE 25 5.758 -5.532 -5.532 167 2HD1 ILE 25 1HD1 ILE 25 6.539 -5.074 -5.074 168 3HD1 ILE 25 2HD1 ILE 25 6.530 -3.942 -3.942 169 H CYS 26 H CYS 26 3.098 -2.595 -2.595 170 HA CYS 26 HA CYS 26 0.744 -0.987 -0.987 171 1HB CYS 26 1HB CYS 26 0.991 -2.979 -2.979 172 2HB CYS 26 2HB CYS 26 1.919 -1.988 -1.988 173 H GLU 27 H GLU 27 3.775 -0.619 -0.619 174 HA GLU 27 HA GLU 27 3.118 1.947 1.947 175 1HB GLU 27 1HB GLU 27 4.751 0.215 0.215 176 2HB GLU 27 2HB GLU 27 5.892 0.735 0.735 177 1HG GLU 27 1HG GLU 27 5.966 2.976 2.976 178 2HG GLU 27 2HG GLU 27 4.621 2.592 2.592 179 H LEU 28 H LEU 28 4.766 0.778 0.778 180 HA LEU 28 HA LEU 28 5.859 3.207 3.207 181 1HB LEU 28 1HB LEU 28 5.454 0.401 0.401 182 2HB LEU 28 2HB LEU 28 5.273 1.451 1.451 183 HG LEU 28 HG LEU 28 7.549 0.510 0.510 184 1HD1 LEU 28 3HD1 LEU 28 7.245 2.565 2.565 185 2HD1 LEU 28 1HD1 LEU 28 7.483 3.558 3.558 186 3HD1 LEU 28 2HD1 LEU 28 8.806 2.549 2.549 187 1HD2 LEU 28 2HD2 LEU 28 7.515 0.764 0.764 188 2HD2 LEU 28 3HD2 LEU 28 9.012 1.243 1.243 189 3HD2 LEU 28 1HD2 LEU 28 7.895 2.477 2.477 190 H THR 29 H THR 29 2.790 1.508 1.508 191 HA THR 29 HA THR 29 1.667 3.533 3.533 192 HB THR 29 HB THR 29 0.413 1.548 1.548 193 HG1 THR 29 1HG THR 29 1.440 0.641 0.641 194 1HG2 THR 29 3HG2 THR 29 -0.978 3.335 3.335 195 2HG2 THR 29 1HG2 THR 29 -1.721 1.982 1.982 196 3HG2 THR 29 2HG2 THR 29 -1.166 3.391 3.391 197 H VAL 30 H VAL 30 1.405 3.082 3.082 198 HA VAL 30 HA VAL 30 -0.185 5.393 5.393 199 HB VAL 30 HB VAL 30 1.738 4.062 4.062 200 1HG1 VAL 30 1HG1 VAL 30 1.005 6.340 6.340 201 2HG1 VAL 30 2HG1 VAL 30 -0.671 5.848 5.848 202 3HG1 VAL 30 3HG1 VAL 30 0.301 5.054 5.054 203 1HG2 VAL 30 2HG2 VAL 30 -1.188 3.623 3.623 204 2HG2 VAL 30 3HG2 VAL 30 0.071 2.414 2.414 205 3HG2 VAL 30 1HG2 VAL 30 -0.510 3.079 3.079 206 H MET 31 H MET 31 3.367 5.104 5.104 207 HA MET 31 HA MET 31 3.955 7.823 7.823 208 1HB MET 31 1HB MET 31 5.361 5.532 5.532 209 2HB MET 31 2HB MET 31 5.677 6.343 6.343 210 1HG MET 31 1HG MET 31 6.490 8.338 8.338 211 2HG MET 31 2HG MET 31 6.184 7.429 7.429 212 1HE MET 31 3HE MET 31 7.424 5.096 5.096 213 2HE MET 31 1HE MET 31 7.221 4.432 4.432 214 3HE MET 31 2HE MET 31 8.820 4.492 4.492 215 H GLN 32 H GLN 32 3.271 6.129 6.129 216 HA GLN 32 HA GLN 32 3.794 8.330 8.330 217 1HB GLN 32 1HB GLN 32 3.366 5.733 5.733 218 2HB GLN 32 2HB GLN 32 1.761 6.373 6.373 219 1HG GLN 32 1HG GLN 32 3.078 8.208 8.208 220 2HG GLN 32 2HG GLN 32 4.481 7.164 7.164 221 1HE2 GLN 32 2HE2 GLN 32 1.396 6.156 6.156 222 2HE2 GLN 32 1HE2 GLN 32 1.184 7.401 7.401 223 H ASN 33 H ASN 33 0.952 7.654 7.654 224 HA ASN 33 HA ASN 33 -0.474 9.917 9.917 225 1HB ASN 33 1HB ASN 33 -2.371 8.653 8.653 226 2HB ASN 33 2HB ASN 33 -2.241 8.677 8.677 227 1HD2 ASN 33 2HD2 ASN 33 -1.849 5.216 5.216 228 2HD2 ASN 33 1HD2 ASN 33 -1.996 6.715 6.715 229 H CYS 34 H CYS 34 -0.033 8.483 8.483 230 HA CYS 34 HA CYS 34 -0.989 10.971 10.971 231 1HB CYS 34 1HB CYS 34 -0.710 8.059 8.059 232 2HB CYS 34 2HB CYS 34 -1.093 9.322 9.322 233 H GLU 35 H GLU 35 0.251 10.820 10.820 234 HA GLU 35 HA GLU 35 3.188 10.735 10.735 235 1HB GLU 35 1HB GLU 35 2.533 13.010 13.010 236 2HB GLU 35 2HB GLU 35 1.644 12.611 12.611 237 1HG GLU 35 1HG GLU 35 3.758 13.648 13.648 238 2HG GLU 35 2HG GLU 35 3.823 11.974 11.974 239 HA PRO 36 HA PRO 36 2.337 7.683 7.683 240 1HB PRO 36 1HB PRO 36 3.849 5.599 5.599 241 2HB PRO 36 2HB PRO 36 2.237 6.049 6.049 242 1HG PRO 36 1HG PRO 36 5.017 6.749 6.749 243 2HG PRO 36 2HG PRO 36 3.659 6.096 6.096 244 1HD PRO 36 1HD PRO 36 4.316 8.802 8.802 245 2HD PRO 36 2HD PRO 36 2.639 8.235 8.235 246 HA PRO 37 HA PRO 37 3.474 5.380 5.380 247 1HB PRO 37 1HB PRO 37 4.047 4.963 4.963 248 2HB PRO 37 2HB PRO 37 5.120 4.443 4.443 249 1HG PRO 37 1HG PRO 37 5.348 6.950 6.950 250 2HG PRO 37 2HG PRO 37 6.632 5.774 5.774 251 1HD PRO 37 1HD PRO 37 6.313 8.095 8.095 252 2HD PRO 37 2HD PRO 37 6.743 6.572 6.572 253 H PHE 38 H PHE 38 1.299 5.389 5.389 254 HA PHE 38 HA PHE 38 -0.101 7.438 7.438 255 1HB PHE 38 1HB PHE 38 -1.110 5.709 5.709 256 2HB PHE 38 2HB PHE 38 -0.089 4.454 4.454 257 HD1 PHE 38 1HD PHE 38 -0.336 3.595 3.595 258 HD2 PHE 38 2HD PHE 38 -3.208 5.854 5.854 259 HE1 PHE 38 1HE PHE 38 -2.108 2.878 2.878 260 HE2 PHE 38 2HE PHE 38 -5.058 5.058 5.058 261 1HZ PHE 38 HZ PHE 38 -4.466 3.541 3.541 262 H SER 39 H SER 39 -0.271 8.178 8.178 263 HA SER 39 HA SER 39 1.544 7.129 7.129 264 1HB SER 39 1HB SER 39 0.610 9.146 9.146 265 2HB SER 39 2HB SER 39 1.711 9.353 9.353 266 HG SER 39 HG SER 39 -1.001 9.965 9.965 Start of MODEL 9 1 HA ASP 1 HA ASP 1 -8.613 -9.198 -9.198 2 1HB ASP 1 1HB ASP 1 -6.831 -9.751 -9.751 3 2HB ASP 1 2HB ASP 1 -6.138 -8.112 -8.112 4 H GLU 2 H GLU 2 -7.349 -8.713 -8.713 5 HA GLU 2 HA GLU 2 -8.021 -6.040 -6.040 6 1HB GLU 2 1HB GLU 2 -6.685 -8.445 -8.445 7 2HB GLU 2 2HB GLU 2 -6.894 -6.872 -6.872 8 1HG GLU 2 1HG GLU 2 -9.271 -8.415 -8.415 9 2HG GLU 2 2HG GLU 2 -8.642 -8.620 -8.620 10 H CYS 3 H CYS 3 -4.976 -7.687 -7.687 11 HA CYS 3 HA CYS 3 -3.341 -5.532 -5.532 12 1HB CYS 3 1HB CYS 3 -2.276 -7.590 -7.590 13 2HB CYS 3 2HB CYS 3 -2.899 -7.368 -7.368 14 H ALA 4 H ALA 4 -4.920 -6.121 -6.121 15 HA ALA 4 HA ALA 4 -4.112 -3.727 -3.727 16 1HB ALA 4 1HB ALA 4 -6.682 -5.350 -5.350 17 2HB ALA 4 2HB ALA 4 -6.091 -4.123 -4.123 18 3HB ALA 4 3HB ALA 4 -5.154 -5.604 -5.604 19 H ASN 5 H ASN 5 -7.021 -4.419 -4.419 20 HA ASN 5 HA ASN 5 -8.143 -1.802 -1.802 21 1HB ASN 5 1HB ASN 5 -9.498 -3.577 -3.577 22 2HB ASN 5 2HB ASN 5 -8.276 -3.909 -3.909 23 1HD2 ASN 5 2HD2 ASN 5 -9.465 -1.500 -1.500 24 2HD2 ASN 5 1HD2 ASN 5 -8.359 -2.807 -2.807 25 H ALA 6 H ALA 6 -5.809 -3.212 -3.212 26 HA ALA 6 HA ALA 6 -5.583 -1.090 -1.090 27 1HB ALA 6 2HB ALA 6 -4.547 -3.319 -3.319 28 2HB ALA 6 3HB ALA 6 -3.357 -2.970 -2.970 29 3HB ALA 6 1HB ALA 6 -3.366 -2.019 -2.019 30 H ALA 7 H ALA 7 -3.765 -1.647 -1.647 31 HA ALA 7 HA ALA 7 -2.305 0.821 0.821 32 1HB ALA 7 1HB ALA 7 -1.644 -1.039 -1.039 33 2HB ALA 7 2HB ALA 7 -3.098 -0.742 -0.742 34 3HB ALA 7 3HB ALA 7 -1.832 0.501 0.501 35 H ALA 8 H ALA 8 -5.450 0.011 0.011 36 HA ALA 8 HA ALA 8 -5.946 2.626 2.626 37 1HB ALA 8 3HB ALA 8 -7.229 0.554 0.554 38 2HB ALA 8 1HB ALA 8 -8.012 0.626 0.626 39 3HB ALA 8 2HB ALA 8 -8.248 1.937 1.937 40 H GLN 9 H GLN 9 -6.219 1.312 1.312 41 HA GLN 9 HA GLN 9 -7.711 3.574 3.574 42 1HB GLN 9 1HB GLN 9 -7.773 1.032 1.032 43 2HB GLN 9 2HB GLN 9 -6.349 1.429 1.429 44 1HG GLN 9 1HG GLN 9 -7.712 3.146 3.146 45 2HG GLN 9 2HG GLN 9 -9.082 2.812 2.812 46 1HE2 GLN 9 2HE2 GLN 9 -9.357 0.970 0.970 47 2HE2 GLN 9 1HE2 GLN 9 -8.966 2.641 2.641 48 H CYS 10 H CYS 10 -4.530 3.183 3.183 49 HA CYS 10 HA CYS 10 -2.714 4.443 4.443 50 1HB CYS 10 1HB CYS 10 -4.853 6.438 6.438 51 2HB CYS 10 2HB CYS 10 -3.164 6.867 6.867 52 H SER 11 H SER 11 -3.049 2.578 2.578 53 HA SER 11 HA SER 11 -1.857 4.118 4.118 54 1HB SER 11 1HB SER 11 -4.018 2.879 2.879 55 2HB SER 11 2HB SER 11 -3.189 1.394 1.394 56 HG SER 11 HG SER 11 -3.057 2.881 2.881 57 H ILE 12 H ILE 12 -0.605 2.667 2.667 58 HA ILE 12 HA ILE 12 1.408 1.138 1.138 59 HB ILE 12 HB ILE 12 1.876 2.946 2.946 60 1HG1 ILE 12 1HG1 ILE 12 1.635 4.302 4.302 61 2HG1 ILE 12 2HG1 ILE 12 3.358 4.179 4.179 62 1HG2 ILE 12 1HG2 ILE 12 3.792 1.110 1.110 63 2HG2 ILE 12 2HG2 ILE 12 4.292 2.361 2.361 64 3HG2 ILE 12 3HG2 ILE 12 3.321 0.995 0.995 65 1HD1 ILE 12 2HD1 ILE 12 3.575 2.459 2.459 66 2HD1 ILE 12 3HD1 ILE 12 1.910 2.836 2.836 67 3HD1 ILE 12 1HD1 ILE 12 3.138 4.085 4.085 68 H THR 13 H THR 13 -0.760 1.507 1.507 69 HA THR 13 HA THR 13 0.254 -0.829 -0.829 70 HB THR 13 HB THR 13 -2.324 0.797 0.797 71 HG1 THR 13 1HG THR 13 0.110 1.422 1.422 72 1HG2 THR 13 2HG2 THR 13 -1.189 -1.346 -1.346 73 2HG2 THR 13 3HG2 THR 13 -2.498 -0.223 -0.223 74 3HG2 THR 13 1HG2 THR 13 -2.742 -1.401 -1.401 75 H LEU 14 H LEU 14 -2.513 -0.080 -0.080 76 HA LEU 14 HA LEU 14 -3.376 -2.815 -2.815 77 1HB LEU 14 1HB LEU 14 -4.043 -0.553 -0.553 78 2HB LEU 14 2HB LEU 14 -4.735 -2.134 -2.134 79 HG LEU 14 HG LEU 14 -4.796 -0.808 -0.808 80 1HD1 LEU 14 2HD1 LEU 14 -6.473 0.004 0.004 81 2HD1 LEU 14 3HD1 LEU 14 -6.893 0.369 0.369 82 3HD1 LEU 14 1HD1 LEU 14 -5.436 1.063 1.063 83 1HD2 LEU 14 3HD2 LEU 14 -5.610 -3.119 -3.119 84 2HD2 LEU 14 1HD2 LEU 14 -6.883 -2.039 -2.039 85 3HD2 LEU 14 2HD2 LEU 14 -6.754 -2.382 -2.382 86 H CYS 15 H CYS 15 -1.037 -1.018 -1.018 87 HA CYS 15 HA CYS 15 -0.477 -3.030 -3.030 88 1HB CYS 15 1HB CYS 15 1.611 -1.254 -1.254 89 2HB CYS 15 2HB CYS 15 1.918 -2.359 -2.359 90 H ASN 16 H ASN 16 1.331 -2.597 -2.597 91 HA ASN 16 HA ASN 16 2.388 -5.244 -5.244 92 1HB ASN 16 1HB ASN 16 2.319 -3.741 -3.741 93 2HB ASN 16 2HB ASN 16 3.379 -5.072 -5.072 94 1HD2 ASN 16 2HD2 ASN 16 4.423 -1.246 -1.246 95 2HD2 ASN 16 1HD2 ASN 16 2.788 -1.545 -1.545 96 H LEU 17 H LEU 17 -0.749 -4.335 -4.335 97 HA LEU 17 HA LEU 17 -1.258 -6.451 -6.451 98 1HB LEU 17 1HB LEU 17 -2.708 -4.497 -4.497 99 2HB LEU 17 2HB LEU 17 -3.222 -5.569 -5.569 100 HG LEU 17 HG LEU 17 -4.866 -5.668 -5.668 101 1HD1 LEU 17 2HD1 LEU 17 -4.072 -8.009 -8.009 102 2HD1 LEU 17 3HD1 LEU 17 -3.154 -7.984 -7.984 103 3HD1 LEU 17 1HD1 LEU 17 -4.922 -7.852 -7.852 104 1HD2 LEU 17 3HD2 LEU 17 -3.785 -4.380 -4.380 105 2HD2 LEU 17 1HD2 LEU 17 -4.531 -5.831 -5.831 106 3HD2 LEU 17 2HD2 LEU 17 -2.770 -5.769 -5.769 107 H TYR 18 H TYR 18 -1.546 -6.480 -6.480 108 HA TYR 18 HA TYR 18 -1.394 -9.496 -9.496 109 1HB TYR 18 1HB TYR 18 -3.234 -7.688 -7.688 110 2HB TYR 18 2HB TYR 18 -3.043 -9.413 -9.413 111 HD1 TYR 18 2HD TYR 18 -3.208 -10.863 -10.863 112 HD2 TYR 18 1HD TYR 18 -5.259 -7.191 -7.191 113 HE1 TYR 18 2HE TYR 18 -5.185 -11.601 -11.601 114 HE2 TYR 18 1HE TYR 18 -7.285 -8.037 -8.037 115 HH TYR 18 HH TYR 18 -8.113 -9.789 -9.789 116 H CYS 19 H CYS 19 0.033 -6.670 -6.670 117 HA CYS 19 HA CYS 19 -0.156 -7.786 -7.786 118 1HB CYS 19 1HB CYS 19 1.390 -5.444 -5.444 119 2HB CYS 19 2HB CYS 19 1.539 -5.986 -5.986 120 H GLY 20 H GLY 20 2.255 -8.532 -8.532 121 1HA GLY 20 1HA GLY 20 4.296 -9.570 -9.570 122 2HA GLY 20 2HA GLY 20 3.485 -10.583 -10.583 123 HA PRO 21 HA PRO 21 6.819 -8.896 -8.896 124 1HB PRO 21 1HB PRO 21 6.232 -9.972 -9.972 125 2HB PRO 21 2HB PRO 21 6.819 -10.979 -10.979 126 1HG PRO 21 1HG PRO 21 3.977 -10.575 -10.575 127 2HG PRO 21 2HG PRO 21 4.770 -12.107 -12.107 128 1HD PRO 21 1HD PRO 21 3.155 -10.704 -10.704 129 2HD PRO 21 2HD PRO 21 4.508 -11.697 -11.697 130 H LEU 22 H LEU 22 3.390 -8.419 -8.419 131 HA LEU 22 HA LEU 22 3.804 -6.321 -6.321 132 1HB LEU 22 1HB LEU 22 1.337 -7.034 -7.034 133 2HB LEU 22 2HB LEU 22 1.454 -5.980 -5.980 134 HG LEU 22 HG LEU 22 2.556 -8.307 -8.307 135 1HD1 LEU 22 1HD1 LEU 22 0.323 -9.156 -9.156 136 2HD1 LEU 22 2HD1 LEU 22 1.018 -10.163 -10.163 137 3HD1 LEU 22 3HD1 LEU 22 2.011 -9.678 -9.678 138 1HD2 LEU 22 3HD2 LEU 22 0.776 -6.917 -6.917 139 2HD2 LEU 22 1HD2 LEU 22 0.425 -8.659 -8.659 140 3HD2 LEU 22 2HD2 LEU 22 -0.405 -7.642 -7.642 141 H ILE 23 H ILE 23 4.294 -6.485 -6.485 142 HA ILE 23 HA ILE 23 3.213 -4.040 -4.040 143 HB ILE 23 HB ILE 23 5.775 -5.460 -5.460 144 1HG1 ILE 23 1HG1 ILE 23 3.143 -5.129 -5.129 145 2HG1 ILE 23 2HG1 ILE 23 3.459 -6.463 -6.463 146 1HG2 ILE 23 3HG2 ILE 23 6.004 -3.055 -3.055 147 2HG2 ILE 23 1HG2 ILE 23 4.426 -3.112 -3.112 148 3HG2 ILE 23 2HG2 ILE 23 5.805 -4.057 -4.057 149 1HD1 ILE 23 3HD1 ILE 23 5.481 -7.072 -7.072 150 2HD1 ILE 23 1HD1 ILE 23 4.933 -5.866 -5.866 151 3HD1 ILE 23 2HD1 ILE 23 3.909 -7.255 -7.255 152 H GLU 24 H GLU 24 6.244 -4.685 -4.685 153 HA GLU 24 HA GLU 24 7.134 -1.985 -1.985 154 1HB GLU 24 1HB GLU 24 8.576 -4.058 -4.058 155 2HB GLU 24 2HB GLU 24 7.768 -4.198 -4.198 156 1HG GLU 24 1HG GLU 24 8.771 -1.963 -1.963 157 2HG GLU 24 2HG GLU 24 9.656 -1.978 -1.978 158 H ILE 25 H ILE 25 5.631 -3.597 -3.597 159 HA ILE 25 HA ILE 25 5.363 -1.234 -1.234 160 HB ILE 25 HB ILE 25 3.547 -3.675 -3.675 161 1HG1 ILE 25 1HG1 ILE 25 5.763 -4.452 -4.452 162 2HG1 ILE 25 2HG1 ILE 25 4.764 -4.546 -4.546 163 1HG2 ILE 25 3HG2 ILE 25 3.734 -1.553 -1.553 164 2HG2 ILE 25 1HG2 ILE 25 2.871 -3.098 -3.098 165 3HG2 ILE 25 2HG2 ILE 25 2.339 -1.940 -1.940 166 1HD1 ILE 25 2HD1 ILE 25 5.801 -2.450 -2.450 167 2HD1 ILE 25 3HD1 ILE 25 6.871 -2.423 -2.423 168 3HD1 ILE 25 1HD1 ILE 25 6.954 -3.766 -3.766 169 H CYS 26 H CYS 26 3.517 -2.442 -2.442 170 HA CYS 26 HA CYS 26 1.191 -0.807 -0.807 171 1HB CYS 26 1HB CYS 26 1.255 -2.857 -2.857 172 2HB CYS 26 2HB CYS 26 2.286 -2.112 -2.112 173 H GLU 27 H GLU 27 4.122 -0.651 -0.651 174 HA GLU 27 HA GLU 27 3.522 1.894 1.894 175 1HB GLU 27 1HB GLU 27 5.197 0.328 0.328 176 2HB GLU 27 2HB GLU 27 6.258 0.612 0.612 177 1HG GLU 27 1HG GLU 27 6.506 2.939 2.939 178 2HG GLU 27 2HG GLU 27 5.185 2.848 2.848 179 H LEU 28 H LEU 28 5.274 0.908 0.908 180 HA LEU 28 HA LEU 28 6.174 3.490 3.490 181 1HB LEU 28 1HB LEU 28 6.026 0.781 0.781 182 2HB LEU 28 2HB LEU 28 5.811 1.971 1.971 183 HG LEU 28 HG LEU 28 8.110 1.225 1.225 184 1HD1 LEU 28 2HD1 LEU 28 7.702 3.448 3.448 185 2HD1 LEU 28 3HD1 LEU 28 7.714 4.199 4.199 186 3HD1 LEU 28 1HD1 LEU 28 9.189 3.472 3.472 187 1HD2 LEU 28 1HD2 LEU 28 8.125 0.862 0.862 188 2HD2 LEU 28 2HD2 LEU 28 9.480 1.862 1.862 189 3HD2 LEU 28 3HD2 LEU 28 8.116 2.614 2.614 190 H THR 29 H THR 29 3.291 1.766 1.766 191 HA THR 29 HA THR 29 2.488 4.025 4.025 192 HB THR 29 HB THR 29 0.813 1.747 1.747 193 HG1 THR 29 1HG THR 29 2.669 2.016 2.016 194 1HG2 THR 29 2HG2 THR 29 0.326 3.673 3.673 195 2HG2 THR 29 3HG2 THR 29 -0.681 2.268 2.268 196 3HG2 THR 29 1HG2 THR 29 -0.588 3.627 3.627 197 H VAL 30 H VAL 30 1.734 3.089 3.089 198 HA VAL 30 HA VAL 30 -0.129 5.237 5.237 199 HB VAL 30 HB VAL 30 1.558 3.659 3.659 200 1HG1 VAL 30 1HG1 VAL 30 -0.693 5.649 5.649 201 2HG1 VAL 30 2HG1 VAL 30 0.039 4.558 4.558 202 3HG1 VAL 30 3HG1 VAL 30 1.003 5.840 5.840 203 1HG2 VAL 30 1HG2 VAL 30 -1.356 3.584 3.584 204 2HG2 VAL 30 2HG2 VAL 30 -0.186 2.334 2.334 205 3HG2 VAL 30 3HG2 VAL 30 -0.733 2.646 2.646 206 H MET 31 H MET 31 3.437 5.115 5.115 207 HA MET 31 HA MET 31 3.749 7.786 7.786 208 1HB MET 31 1HB MET 31 5.412 5.735 5.735 209 2HB MET 31 2HB MET 31 5.691 6.453 6.453 210 1HG MET 31 1HG MET 31 6.599 8.395 8.395 211 2HG MET 31 2HG MET 31 5.875 8.200 8.200 212 1HE MET 31 1HE MET 31 8.247 6.279 6.279 213 2HE MET 31 2HE MET 31 9.297 5.405 5.405 214 3HE MET 31 3HE MET 31 7.587 4.961 4.961 215 H GLN 32 H GLN 32 3.705 6.387 6.387 216 HA GLN 32 HA GLN 32 4.146 8.623 8.623 217 1HB GLN 32 1HB GLN 32 3.989 6.129 6.129 218 2HB GLN 32 2HB GLN 32 2.253 6.468 6.468 219 1HG GLN 32 1HG GLN 32 2.922 8.357 8.357 220 2HG GLN 32 2HG GLN 32 4.556 7.675 7.675 221 1HE2 GLN 32 2HE2 GLN 32 2.595 6.268 6.268 222 2HE2 GLN 32 1HE2 GLN 32 3.293 7.822 7.822 223 H ASN 33 H ASN 33 1.077 7.523 7.523 224 HA ASN 33 HA ASN 33 -0.358 9.783 9.783 225 1HB ASN 33 1HB ASN 33 -2.075 8.457 8.457 226 2HB ASN 33 2HB ASN 33 -0.816 7.205 7.205 227 1HD2 ASN 33 2HD2 ASN 33 -2.118 5.589 5.589 228 2HD2 ASN 33 1HD2 ASN 33 -0.638 5.953 5.953 229 H CYS 34 H CYS 34 0.622 8.914 8.914 230 HA CYS 34 HA CYS 34 -1.304 10.773 10.773 231 1HB CYS 34 1HB CYS 34 -1.060 7.807 7.807 232 2HB CYS 34 2HB CYS 34 -1.494 8.889 8.889 233 H GLU 35 H GLU 35 -0.540 10.959 10.959 234 HA GLU 35 HA GLU 35 2.440 11.228 11.228 235 1HB GLU 35 1HB GLU 35 0.882 13.246 13.246 236 2HB GLU 35 2HB GLU 35 0.498 12.733 12.733 237 1HG GLU 35 1HG GLU 35 3.117 12.694 12.694 238 2HG GLU 35 2HG GLU 35 3.110 13.663 13.663 239 HA PRO 36 HA PRO 36 1.331 8.086 8.086 240 1HB PRO 36 1HB PRO 36 3.299 6.210 6.210 241 2HB PRO 36 2HB PRO 36 1.729 6.264 6.264 242 1HG PRO 36 1HG PRO 36 4.401 7.456 7.456 243 2HG PRO 36 2HG PRO 36 3.333 6.404 6.404 244 1HD PRO 36 1HD PRO 36 3.290 9.119 9.119 245 2HD PRO 36 2HD PRO 36 1.768 8.163 8.163 246 HA PRO 37 HA PRO 37 2.558 6.245 6.245 247 1HB PRO 37 1HB PRO 37 2.654 6.272 6.272 248 2HB PRO 37 2HB PRO 37 4.057 5.840 5.840 249 1HG PRO 37 1HG PRO 37 3.438 8.538 8.538 250 2HG PRO 37 2HG PRO 37 4.976 7.625 7.625 251 1HD PRO 37 1HD PRO 37 4.617 9.585 9.585 252 2HD PRO 37 2HD PRO 37 5.476 8.083 8.083 253 H PHE 38 H PHE 38 0.363 5.956 5.956 254 HA PHE 38 HA PHE 38 -1.528 8.022 8.022 255 1HB PHE 38 1HB PHE 38 -1.896 6.077 6.077 256 2HB PHE 38 2HB PHE 38 -1.367 5.016 5.016 257 HD1 PHE 38 2HD PHE 38 -2.761 4.885 4.885 258 HD2 PHE 38 1HD PHE 38 -4.077 5.911 5.911 259 HE1 PHE 38 2HE PHE 38 -4.936 3.779 3.779 260 HE2 PHE 38 1HE PHE 38 -6.218 4.719 4.719 261 1HZ PHE 38 HZ PHE 38 -6.646 3.637 3.637 262 H SER 39 H SER 39 -2.107 9.088 9.088 263 HA SER 39 HA SER 39 -0.800 8.614 8.614 264 1HB SER 39 1HB SER 39 -3.433 10.090 10.090 265 2HB SER 39 2HB SER 39 -2.167 10.386 10.386 266 HG SER 39 HG SER 39 -2.057 11.878 11.878 Start of MODEL 10 1 HA ASP 1 HA ASP 1 -7.615 -9.093 -9.093 2 1HB ASP 1 1HB ASP 1 -5.810 -9.227 -9.227 3 2HB ASP 1 2HB ASP 1 -5.147 -7.708 -7.708 4 H GLU 2 H GLU 2 -6.455 -8.558 -8.558 5 HA GLU 2 HA GLU 2 -7.614 -6.047 -6.047 6 1HB GLU 2 1HB GLU 2 -6.481 -8.493 -8.493 7 2HB GLU 2 2HB GLU 2 -6.619 -6.964 -6.964 8 1HG GLU 2 1HG GLU 2 -8.629 -8.486 -8.486 9 2HG GLU 2 2HG GLU 2 -8.957 -6.828 -6.828 10 H CYS 3 H CYS 3 -4.475 -7.304 -7.304 11 HA CYS 3 HA CYS 3 -2.938 -5.192 -5.192 12 1HB CYS 3 1HB CYS 3 -1.967 -7.260 -7.260 13 2HB CYS 3 2HB CYS 3 -2.489 -6.651 -6.651 14 H ALA 4 H ALA 4 -4.674 -5.531 -5.531 15 HA ALA 4 HA ALA 4 -3.980 -2.960 -2.960 16 1HB ALA 4 2HB ALA 4 -4.829 -4.798 -4.798 17 2HB ALA 4 3HB ALA 4 -6.404 -4.681 -4.681 18 3HB ALA 4 1HB ALA 4 -5.812 -3.320 -3.320 19 H ASN 5 H ASN 5 -6.850 -4.161 -4.161 20 HA ASN 5 HA ASN 5 -8.175 -1.653 -1.653 21 1HB ASN 5 1HB ASN 5 -8.208 -4.011 -4.011 22 2HB ASN 5 2HB ASN 5 -9.150 -2.561 -2.561 23 1HD2 ASN 5 2HD2 ASN 5 -11.017 -5.208 -5.208 24 2HD2 ASN 5 1HD2 ASN 5 -9.841 -5.599 -5.599 25 H ALA 6 H ALA 6 -5.777 -3.052 -3.052 26 HA ALA 6 HA ALA 6 -5.698 -0.916 -0.916 27 1HB ALA 6 1HB ALA 6 -3.438 -2.749 -2.749 28 2HB ALA 6 2HB ALA 6 -3.422 -1.685 -1.685 29 3HB ALA 6 3HB ALA 6 -4.567 -3.042 -3.042 30 H ALA 7 H ALA 7 -3.789 -1.381 -1.381 31 HA ALA 7 HA ALA 7 -2.377 1.072 1.072 32 1HB ALA 7 3HB ALA 7 -1.824 -0.748 -0.748 33 2HB ALA 7 1HB ALA 7 -3.279 -0.308 -0.308 34 3HB ALA 7 2HB ALA 7 -1.957 0.863 0.863 35 H ALA 8 H ALA 8 -5.589 0.339 0.339 36 HA ALA 8 HA ALA 8 -5.997 2.993 2.993 37 1HB ALA 8 1HB ALA 8 -7.306 0.999 0.999 38 2HB ALA 8 2HB ALA 8 -8.068 0.909 0.909 39 3HB ALA 8 3HB ALA 8 -8.348 2.318 2.318 40 H GLN 9 H GLN 9 -6.600 1.469 1.469 41 HA GLN 9 HA GLN 9 -8.020 3.678 3.678 42 1HB GLN 9 1HB GLN 9 -8.181 1.261 1.261 43 2HB GLN 9 2HB GLN 9 -6.587 1.317 1.317 44 1HG GLN 9 1HG GLN 9 -8.862 3.140 3.140 45 2HG GLN 9 2HG GLN 9 -8.720 1.469 1.469 46 1HE2 GLN 9 2HE2 GLN 9 -7.087 3.650 3.650 47 2HE2 GLN 9 1HE2 GLN 9 -8.732 3.231 3.231 48 H CYS 10 H CYS 10 -4.671 2.871 2.871 49 HA CYS 10 HA CYS 10 -2.768 4.006 4.006 50 1HB CYS 10 1HB CYS 10 -4.610 6.391 6.391 51 2HB CYS 10 2HB CYS 10 -2.865 6.522 6.522 52 H SER 11 H SER 11 -2.809 2.430 2.430 53 HA SER 11 HA SER 11 -1.509 3.976 3.976 54 1HB SER 11 1HB SER 11 -3.783 3.597 3.597 55 2HB SER 11 2HB SER 11 -3.789 1.944 1.944 56 HG SER 11 HG SER 11 -3.292 2.403 2.403 57 H ILE 12 H ILE 12 0.155 3.079 3.079 58 HA ILE 12 HA ILE 12 1.359 0.883 0.883 59 HB ILE 12 HB ILE 12 2.340 2.590 2.590 60 1HG1 ILE 12 1HG1 ILE 12 1.885 4.041 4.041 61 2HG1 ILE 12 2HG1 ILE 12 3.610 3.700 3.700 62 1HG2 ILE 12 2HG2 ILE 12 3.759 0.647 0.647 63 2HG2 ILE 12 3HG2 ILE 12 4.595 1.856 1.856 64 3HG2 ILE 12 1HG2 ILE 12 3.657 0.579 0.579 65 1HD1 ILE 12 1HD1 ILE 12 3.077 1.907 1.907 66 2HD1 ILE 12 2HD1 ILE 12 1.460 2.645 2.645 67 3HD1 ILE 12 3HD1 ILE 12 2.889 3.593 3.593 68 H THR 13 H THR 13 -0.180 1.354 1.354 69 HA THR 13 HA THR 13 0.798 -1.157 -1.157 70 HB THR 13 HB THR 13 -1.833 -0.017 -0.017 71 HG1 THR 13 1HG THR 13 -0.962 1.757 1.757 72 1HG2 THR 13 1HG2 THR 13 -0.616 -1.831 -1.831 73 2HG2 THR 13 2HG2 THR 13 0.743 -0.716 -0.716 74 3HG2 THR 13 3HG2 THR 13 -0.842 -0.377 -0.377 75 H LEU 14 H LEU 14 -2.244 -0.012 -0.012 76 HA LEU 14 HA LEU 14 -3.397 -2.679 -2.679 77 1HB LEU 14 1HB LEU 14 -3.907 -0.173 -0.173 78 2HB LEU 14 2HB LEU 14 -4.854 -1.654 -1.654 79 HG LEU 14 HG LEU 14 -4.850 0.566 0.566 80 1HD1 LEU 14 1HD1 LEU 14 -6.589 0.155 0.155 81 2HD1 LEU 14 2HD1 LEU 14 -7.050 -1.333 -1.333 82 3HD1 LEU 14 3HD1 LEU 14 -7.242 0.241 0.241 83 1HD2 LEU 14 1HD2 LEU 14 -5.463 -2.281 -2.281 84 2HD2 LEU 14 2HD2 LEU 14 -4.229 -1.188 -1.188 85 3HD2 LEU 14 3HD2 LEU 14 -5.954 -0.813 -0.813 86 H CYS 15 H CYS 15 -1.298 -0.943 -0.943 87 HA CYS 15 HA CYS 15 -1.176 -2.937 -2.937 88 1HB CYS 15 1HB CYS 15 1.058 -1.207 -1.207 89 2HB CYS 15 2HB CYS 15 1.304 -2.336 -2.336 90 H ASN 16 H ASN 16 0.942 -2.583 -2.583 91 HA ASN 16 HA ASN 16 2.063 -5.211 -5.211 92 1HB ASN 16 1HB ASN 16 3.699 -4.705 -4.705 93 2HB ASN 16 2HB ASN 16 3.419 -3.240 -3.240 94 1HD2 ASN 16 2HD2 ASN 16 3.484 -1.507 -1.507 95 2HD2 ASN 16 1HD2 ASN 16 4.105 -1.721 -1.721 96 H LEU 17 H LEU 17 -0.661 -4.382 -4.382 97 HA LEU 17 HA LEU 17 -0.701 -6.602 -6.602 98 1HB LEU 17 1HB LEU 17 -2.322 -4.704 -4.704 99 2HB LEU 17 2HB LEU 17 -3.060 -5.431 -5.431 100 HG LEU 17 HG LEU 17 -4.211 -5.724 -5.724 101 1HD1 LEU 17 2HD1 LEU 17 -4.684 -7.281 -7.281 102 2HD1 LEU 17 3HD1 LEU 17 -3.359 -8.361 -8.361 103 3HD1 LEU 17 1HD1 LEU 17 -4.742 -8.108 -8.108 104 1HD2 LEU 17 1HD2 LEU 17 -2.114 -6.003 -6.003 105 2HD2 LEU 17 2HD2 LEU 17 -3.451 -7.112 -7.112 106 3HD2 LEU 17 3HD2 LEU 17 -2.052 -7.689 -7.689 107 H TYR 18 H TYR 18 -1.805 -6.419 -6.419 108 HA TYR 18 HA TYR 18 -1.714 -9.414 -9.414 109 1HB TYR 18 1HB TYR 18 -3.470 -7.410 -7.410 110 2HB TYR 18 2HB TYR 18 -3.383 -9.099 -9.099 111 HD1 TYR 18 2HD TYR 18 -3.393 -10.683 -10.683 112 HD2 TYR 18 1HD TYR 18 -5.636 -7.129 -7.129 113 HE1 TYR 18 2HE TYR 18 -5.099 -11.295 -11.295 114 HE2 TYR 18 1HE TYR 18 -7.474 -7.897 -7.897 115 HH TYR 18 HH TYR 18 -7.346 -10.962 -10.962 116 H CYS 19 H CYS 19 -0.218 -6.737 -6.737 117 HA CYS 19 HA CYS 19 -0.328 -7.802 -7.802 118 1HB CYS 19 1HB CYS 19 1.507 -5.792 -5.792 119 2HB CYS 19 2HB CYS 19 1.681 -6.271 -6.271 120 H GLY 20 H GLY 20 2.249 -8.456 -8.456 121 1HA GLY 20 1HA GLY 20 3.994 -9.921 -9.921 122 2HA GLY 20 2HA GLY 20 3.274 -10.682 -10.682 123 HA PRO 21 HA PRO 21 7.112 -8.748 -8.748 124 1HB PRO 21 1HB PRO 21 6.955 -9.626 -9.626 125 2HB PRO 21 2HB PRO 21 7.401 -10.713 -10.713 126 1HG PRO 21 1HG PRO 21 4.716 -10.439 -10.439 127 2HG PRO 21 2HG PRO 21 5.559 -11.933 -11.933 128 1HD PRO 21 1HD PRO 21 3.570 -10.767 -10.767 129 2HD PRO 21 2HD PRO 21 4.880 -11.694 -11.694 130 H LEU 22 H LEU 22 3.919 -8.522 -8.522 131 HA LEU 22 HA LEU 22 4.479 -6.120 -6.120 132 1HB LEU 22 1HB LEU 22 1.805 -7.199 -7.199 133 2HB LEU 22 2HB LEU 22 2.092 -6.050 -6.050 134 HG LEU 22 HG LEU 22 2.879 -9.005 -9.005 135 1HD1 LEU 22 1HD1 LEU 22 0.513 -8.499 -8.499 136 2HD1 LEU 22 2HD1 LEU 22 1.008 -7.454 -7.454 137 3HD1 LEU 22 3HD1 LEU 22 1.361 -9.191 -9.191 138 1HD2 LEU 22 1HD2 LEU 22 3.510 -6.877 -6.877 139 2HD2 LEU 22 2HD2 LEU 22 4.692 -7.848 -7.848 140 3HD2 LEU 22 3HD2 LEU 22 3.648 -8.628 -8.628 141 H ILE 23 H ILE 23 4.510 -6.500 -6.500 142 HA ILE 23 HA ILE 23 3.213 -4.161 -4.161 143 HB ILE 23 HB ILE 23 5.833 -5.565 -5.565 144 1HG1 ILE 23 1HG1 ILE 23 3.216 -5.087 -5.087 145 2HG1 ILE 23 2HG1 ILE 23 3.488 -6.529 -6.529 146 1HG2 ILE 23 1HG2 ILE 23 4.571 -3.131 -3.131 147 2HG2 ILE 23 2HG2 ILE 23 5.865 -4.112 -4.112 148 3HG2 ILE 23 3HG2 ILE 23 6.186 -3.201 -3.201 149 1HD1 ILE 23 2HD1 ILE 23 5.433 -7.127 -7.127 150 2HD1 ILE 23 3HD1 ILE 23 4.938 -5.830 -5.830 151 3HD1 ILE 23 1HD1 ILE 23 3.849 -7.186 -7.186 152 H GLU 24 H GLU 24 6.356 -4.647 -4.647 153 HA GLU 24 HA GLU 24 7.004 -1.871 -1.871 154 1HB GLU 24 1HB GLU 24 8.633 -3.822 -3.822 155 2HB GLU 24 2HB GLU 24 8.054 -4.054 -4.054 156 1HG GLU 24 1HG GLU 24 8.839 -1.816 -1.816 157 2HG GLU 24 2HG GLU 24 9.228 -1.400 -1.400 158 H ILE 25 H ILE 25 5.687 -3.745 -3.745 159 HA ILE 25 HA ILE 25 5.469 -1.588 -1.588 160 HB ILE 25 HB ILE 25 3.638 -3.992 -3.992 161 1HG1 ILE 25 1HG1 ILE 25 5.830 -4.888 -4.888 162 2HG1 ILE 25 2HG1 ILE 25 4.982 -5.058 -5.058 163 1HG2 ILE 25 2HG2 ILE 25 3.966 -2.154 -2.154 164 2HG2 ILE 25 3HG2 ILE 25 3.153 -3.737 -3.737 165 3HG2 ILE 25 1HG2 ILE 25 2.508 -2.451 -2.451 166 1HD1 ILE 25 2HD1 ILE 25 6.192 -2.974 -2.974 167 2HD1 ILE 25 3HD1 ILE 25 7.135 -3.013 -3.013 168 3HD1 ILE 25 1HD1 ILE 25 7.246 -4.353 -4.353 169 H CYS 26 H CYS 26 3.488 -2.524 -2.524 170 HA CYS 26 HA CYS 26 1.206 -0.938 -0.938 171 1HB CYS 26 1HB CYS 26 1.167 -2.944 -2.944 172 2HB CYS 26 2HB CYS 26 2.013 -2.142 -2.142 173 H GLU 27 H GLU 27 3.939 -0.696 -0.696 174 HA GLU 27 HA GLU 27 3.390 1.881 1.881 175 1HB GLU 27 1HB GLU 27 5.059 0.247 0.247 176 2HB GLU 27 2HB GLU 27 6.098 0.562 0.562 177 1HG GLU 27 1HG GLU 27 6.386 2.883 2.883 178 2HG GLU 27 2HG GLU 27 5.188 2.716 2.716 179 H LEU 28 H LEU 28 5.222 0.824 0.824 180 HA LEU 28 HA LEU 28 6.033 3.407 3.407 181 1HB LEU 28 1HB LEU 28 6.478 0.817 0.817 182 2HB LEU 28 2HB LEU 28 5.740 1.621 1.621 183 HG LEU 28 HG LEU 28 7.779 3.339 3.339 184 1HD1 LEU 28 3HD1 LEU 28 8.668 1.197 1.197 185 2HD1 LEU 28 1HD1 LEU 28 8.715 0.677 0.677 186 3HD1 LEU 28 2HD1 LEU 28 9.709 2.047 2.047 187 1HD2 LEU 28 3HD2 LEU 28 7.565 2.209 2.209 188 2HD2 LEU 28 1HD2 LEU 28 6.891 3.758 3.758 189 3HD2 LEU 28 2HD2 LEU 28 8.650 3.513 3.513 190 H THR 29 H THR 29 3.200 1.548 1.548 191 HA THR 29 HA THR 29 2.198 3.500 3.500 192 HB THR 29 HB THR 29 0.665 1.557 1.557 193 HG1 THR 29 1HG THR 29 2.242 0.576 0.576 194 1HG2 THR 29 1HG2 THR 29 -0.135 3.087 3.087 195 2HG2 THR 29 2HG2 THR 29 -1.063 1.740 1.740 196 3HG2 THR 29 3HG2 THR 29 -0.840 3.212 3.212 197 H VAL 30 H VAL 30 1.559 3.016 3.016 198 HA VAL 30 HA VAL 30 -0.226 5.224 5.224 199 HB VAL 30 HB VAL 30 1.540 3.782 3.782 200 1HG1 VAL 30 2HG1 VAL 30 0.873 6.030 6.030 201 2HG1 VAL 30 3HG1 VAL 30 -0.816 5.629 5.629 202 3HG1 VAL 30 1HG1 VAL 30 0.091 4.696 4.696 203 1HG2 VAL 30 3HG2 VAL 30 -1.423 3.601 3.601 204 2HG2 VAL 30 1HG2 VAL 30 -0.240 2.380 2.380 205 3HG2 VAL 30 2HG2 VAL 30 -0.620 2.676 2.676 206 H MET 31 H MET 31 3.354 5.052 5.052 207 HA MET 31 HA MET 31 3.811 7.749 7.749 208 1HB MET 31 1HB MET 31 5.269 5.563 5.563 209 2HB MET 31 2HB MET 31 5.636 6.194 6.194 210 1HG MET 31 1HG MET 31 7.055 7.705 7.705 211 2HG MET 31 2HG MET 31 5.950 8.231 8.231 212 1HE MET 31 1HE MET 31 8.187 5.185 5.185 213 2HE MET 31 2HE MET 31 8.640 4.497 4.497 214 3HE MET 31 3HE MET 31 6.981 4.346 4.346 215 H GLN 32 H GLN 32 3.525 6.166 6.166 216 HA GLN 32 HA GLN 32 3.971 8.356 8.356 217 1HB GLN 32 1HB GLN 32 3.445 5.720 5.720 218 2HB GLN 32 2HB GLN 32 1.897 6.408 6.408 219 1HG GLN 32 1HG GLN 32 3.135 6.343 6.343 220 2HG GLN 32 2HG GLN 32 3.299 8.031 8.031 221 1HE2 GLN 32 2HE2 GLN 32 6.596 5.651 5.651 222 2HE2 GLN 32 1HE2 GLN 32 4.993 5.031 5.031 223 H ASN 33 H ASN 33 0.800 7.160 7.160 224 HA ASN 33 HA ASN 33 -0.491 9.538 9.538 225 1HB ASN 33 1HB ASN 33 -2.457 8.169 8.169 226 2HB ASN 33 2HB ASN 33 -2.218 8.204 8.204 227 1HD2 ASN 33 2HD2 ASN 33 -1.783 4.724 4.724 228 2HD2 ASN 33 1HD2 ASN 33 -2.646 6.103 6.103 229 H CYS 34 H CYS 34 -0.223 8.126 8.126 230 HA CYS 34 HA CYS 34 -1.484 10.498 10.498 231 1HB CYS 34 1HB CYS 34 -1.016 7.609 7.609 232 2HB CYS 34 2HB CYS 34 -1.615 8.795 8.795 233 H GLU 35 H GLU 35 -0.341 10.293 10.293 234 HA GLU 35 HA GLU 35 2.608 10.168 10.168 235 1HB GLU 35 1HB GLU 35 2.000 12.505 12.505 236 2HB GLU 35 2HB GLU 35 1.291 12.294 12.294 237 1HG GLU 35 1HG GLU 35 3.451 11.667 11.667 238 2HG GLU 35 2HG GLU 35 4.126 11.412 11.412 239 HA PRO 36 HA PRO 36 1.909 7.612 7.612 240 1HB PRO 36 1HB PRO 36 3.560 5.547 5.547 241 2HB PRO 36 2HB PRO 36 1.942 5.768 5.768 242 1HG PRO 36 1HG PRO 36 4.700 6.486 6.486 243 2HG PRO 36 2HG PRO 36 3.372 5.694 5.694 244 1HD PRO 36 1HD PRO 36 3.957 8.447 8.447 245 2HD PRO 36 2HD PRO 36 2.345 7.774 7.774 246 HA PRO 37 HA PRO 37 3.256 5.711 5.711 247 1HB PRO 37 1HB PRO 37 3.750 5.898 5.898 248 2HB PRO 37 2HB PRO 37 4.929 5.267 5.267 249 1HG PRO 37 1HG PRO 37 4.787 8.079 8.079 250 2HG PRO 37 2HG PRO 37 6.218 7.010 7.010 251 1HD PRO 37 1HD PRO 37 5.719 8.923 8.923 252 2HD PRO 37 2HD PRO 37 6.357 7.323 7.323 253 H PHE 38 H PHE 38 0.997 5.697 5.697 254 HA PHE 38 HA PHE 38 -0.542 7.930 7.930 255 1HB PHE 38 1HB PHE 38 -1.479 6.031 6.031 256 2HB PHE 38 2HB PHE 38 -0.699 4.919 4.919 257 HD1 PHE 38 2HD PHE 38 -3.254 7.592 7.592 258 HD2 PHE 38 1HD PHE 38 -1.834 4.036 4.036 259 HE1 PHE 38 2HE PHE 38 -5.258 7.603 7.603 260 HE2 PHE 38 1HE PHE 38 -3.910 3.949 3.949 261 1HZ PHE 38 HZ PHE 38 -5.526 5.842 5.842 262 H SER 39 H SER 39 -1.460 8.694 8.694 263 HA SER 39 HA SER 39 -0.035 7.834 7.834 264 1HB SER 39 1HB SER 39 -1.002 10.245 10.245 265 2HB SER 39 2HB SER 39 0.590 9.980 9.980 266 HG SER 39 HG SER 39 -0.284 10.465 10.465 Start of MODEL 11 1 HA ASP 1 HA ASP 1 -6.625 -9.765 -9.765 2 1HB ASP 1 1HB ASP 1 -4.216 -9.807 -9.807 3 2HB ASP 1 2HB ASP 1 -3.984 -8.234 -8.234 4 H GLU 2 H GLU 2 -6.220 -8.921 -8.921 5 HA GLU 2 HA GLU 2 -7.746 -6.476 -6.476 6 1HB GLU 2 1HB GLU 2 -7.560 -8.440 -8.440 7 2HB GLU 2 2HB GLU 2 -5.916 -7.849 -7.849 8 1HG GLU 2 1HG GLU 2 -7.107 -6.721 -6.721 9 2HG GLU 2 2HG GLU 2 -7.199 -5.512 -5.512 10 H CYS 3 H CYS 3 -4.354 -7.457 -7.457 11 HA CYS 3 HA CYS 3 -3.056 -5.275 -5.275 12 1HB CYS 3 1HB CYS 3 -1.926 -7.284 -7.284 13 2HB CYS 3 2HB CYS 3 -2.322 -6.802 -6.802 14 H ALA 4 H ALA 4 -4.587 -5.449 -5.449 15 HA ALA 4 HA ALA 4 -3.677 -2.913 -2.913 16 1HB ALA 4 1HB ALA 4 -4.636 -4.678 -4.678 17 2HB ALA 4 2HB ALA 4 -6.219 -4.454 -4.454 18 3HB ALA 4 3HB ALA 4 -5.497 -3.139 -3.139 19 H ASN 5 H ASN 5 -6.441 -3.965 -3.965 20 HA ASN 5 HA ASN 5 -7.859 -1.444 -1.444 21 1HB ASN 5 1HB ASN 5 -8.011 -3.650 -3.650 22 2HB ASN 5 2HB ASN 5 -9.182 -2.370 -2.370 23 1HD2 ASN 5 2HD2 ASN 5 -10.119 -5.691 -5.691 24 2HD2 ASN 5 1HD2 ASN 5 -9.570 -5.292 -5.292 25 H ALA 6 H ALA 6 -5.665 -3.005 -3.005 26 HA ALA 6 HA ALA 6 -5.577 -0.967 -0.967 27 1HB ALA 6 1HB ALA 6 -3.388 -2.905 -2.905 28 2HB ALA 6 2HB ALA 6 -3.301 -1.931 -1.931 29 3HB ALA 6 3HB ALA 6 -4.549 -3.183 -3.183 30 H ALA 7 H ALA 7 -3.573 -1.260 -1.260 31 HA ALA 7 HA ALA 7 -2.211 1.199 1.199 32 1HB ALA 7 1HB ALA 7 -1.455 -0.416 -0.416 33 2HB ALA 7 2HB ALA 7 -2.927 -0.102 -0.102 34 3HB ALA 7 3HB ALA 7 -1.737 1.184 1.184 35 H ALA 8 H ALA 8 -5.243 0.520 0.520 36 HA ALA 8 HA ALA 8 -5.707 3.211 3.211 37 1HB ALA 8 3HB ALA 8 -7.654 0.939 0.939 38 2HB ALA 8 1HB ALA 8 -8.084 2.476 2.476 39 3HB ALA 8 2HB ALA 8 -6.916 1.396 1.396 40 H GLN 9 H GLN 9 -6.214 1.605 1.605 41 HA GLN 9 HA GLN 9 -7.942 3.602 3.602 42 1HB GLN 9 1HB GLN 9 -7.402 1.053 1.053 43 2HB GLN 9 2HB GLN 9 -6.226 1.727 1.727 44 1HG GLN 9 1HG GLN 9 -8.016 2.838 2.838 45 2HG GLN 9 2HG GLN 9 -9.181 2.557 2.557 46 1HE2 GLN 9 2HE2 GLN 9 -9.509 -1.021 -1.021 47 2HE2 GLN 9 1HE2 GLN 9 -9.118 -0.070 -0.070 48 H CYS 10 H CYS 10 -4.491 3.213 3.213 49 HA CYS 10 HA CYS 10 -2.668 4.327 4.327 50 1HB CYS 10 1HB CYS 10 -3.440 6.364 6.364 51 2HB CYS 10 2HB CYS 10 -4.483 6.706 6.706 52 H SER 11 H SER 11 -2.756 2.567 2.567 53 HA SER 11 HA SER 11 -1.715 3.965 3.965 54 1HB SER 11 1HB SER 11 -3.958 3.406 3.406 55 2HB SER 11 2HB SER 11 -3.887 1.825 1.825 56 HG SER 11 HG SER 11 -3.519 1.954 1.954 57 H ILE 12 H ILE 12 0.056 3.119 3.119 58 HA ILE 12 HA ILE 12 1.321 1.067 1.067 59 HB ILE 12 HB ILE 12 2.345 2.776 2.776 60 1HG1 ILE 12 1HG1 ILE 12 1.721 4.203 4.203 61 2HG1 ILE 12 2HG1 ILE 12 3.463 4.028 4.028 62 1HG2 ILE 12 1HG2 ILE 12 3.720 0.831 0.831 63 2HG2 ILE 12 2HG2 ILE 12 4.581 2.069 2.069 64 3HG2 ILE 12 3HG2 ILE 12 3.687 0.799 0.799 65 1HD1 ILE 12 2HD1 ILE 12 3.188 2.272 2.272 66 2HD1 ILE 12 3HD1 ILE 12 1.488 2.789 2.789 67 3HD1 ILE 12 1HD1 ILE 12 2.782 3.939 3.939 68 H THR 13 H THR 13 -0.208 1.546 1.546 69 HA THR 13 HA THR 13 0.756 -0.964 -0.964 70 HB THR 13 HB THR 13 -1.685 0.714 0.714 71 HG1 THR 13 1HG THR 13 1.066 0.910 0.910 72 1HG2 THR 13 1HG2 THR 13 -0.144 -1.427 -1.427 73 2HG2 THR 13 2HG2 THR 13 -1.373 -0.332 -0.332 74 3HG2 THR 13 3HG2 THR 13 -1.824 -1.511 -1.511 75 H LEU 14 H LEU 14 -2.278 0.089 0.089 76 HA LEU 14 HA LEU 14 -3.272 -2.611 -2.611 77 1HB LEU 14 1HB LEU 14 -3.939 -0.184 -0.184 78 2HB LEU 14 2HB LEU 14 -4.578 -1.756 -1.756 79 HG LEU 14 HG LEU 14 -4.785 -0.997 -0.997 80 1HD1 LEU 14 2HD1 LEU 14 -6.233 0.584 0.584 81 2HD1 LEU 14 3HD1 LEU 14 -6.929 0.319 0.319 82 3HD1 LEU 14 1HD1 LEU 14 -5.411 1.181 1.181 83 1HD2 LEU 14 1HD2 LEU 14 -5.678 -3.046 -3.046 84 2HD2 LEU 14 2HD2 LEU 14 -6.954 -2.058 -2.058 85 3HD2 LEU 14 3HD2 LEU 14 -6.726 -2.009 -2.009 86 H CYS 15 H CYS 15 -0.932 -0.862 -0.862 87 HA CYS 15 HA CYS 15 -0.711 -2.883 -2.883 88 1HB CYS 15 1HB CYS 15 1.543 -1.192 -1.192 89 2HB CYS 15 2HB CYS 15 1.725 -2.325 -2.325 90 H ASN 16 H ASN 16 1.199 -2.560 -2.560 91 HA ASN 16 HA ASN 16 2.409 -5.105 -5.105 92 1HB ASN 16 1HB ASN 16 1.818 -3.805 -3.805 93 2HB ASN 16 2HB ASN 16 3.141 -4.911 -4.911 94 1HD2 ASN 16 2HD2 ASN 16 3.907 -1.043 -1.043 95 2HD2 ASN 16 1HD2 ASN 16 2.861 -1.907 -1.907 96 H LEU 17 H LEU 17 -0.646 -4.269 -4.269 97 HA LEU 17 HA LEU 17 -1.276 -6.421 -6.421 98 1HB LEU 17 1HB LEU 17 -2.601 -4.397 -4.397 99 2HB LEU 17 2HB LEU 17 -3.163 -5.058 -5.058 100 HG LEU 17 HG LEU 17 -4.744 -5.149 -5.149 101 1HD1 LEU 17 3HD1 LEU 17 -4.799 -6.652 -6.652 102 2HD1 LEU 17 1HD1 LEU 17 -4.103 -7.917 -7.917 103 3HD1 LEU 17 2HD1 LEU 17 -5.676 -7.204 -7.204 104 1HD2 LEU 17 1HD2 LEU 17 -3.107 -5.739 -5.739 105 2HD2 LEU 17 2HD2 LEU 17 -4.552 -6.761 -6.761 106 3HD2 LEU 17 3HD2 LEU 17 -3.010 -7.385 -7.385 107 H TYR 18 H TYR 18 -1.611 -6.433 -6.433 108 HA TYR 18 HA TYR 18 -1.374 -9.405 -9.405 109 1HB TYR 18 1HB TYR 18 -3.481 -7.782 -7.782 110 2HB TYR 18 2HB TYR 18 -3.151 -9.474 -9.474 111 HD1 TYR 18 1HD TYR 18 -2.823 -10.470 -10.470 112 HD2 TYR 18 2HD TYR 18 -5.741 -7.939 -7.939 113 HE1 TYR 18 1HE TYR 18 -4.511 -11.296 -11.296 114 HE2 TYR 18 2HE TYR 18 -7.486 -8.816 -8.816 115 HH TYR 18 HH TYR 18 -6.827 -11.520 -11.520 116 H CYS 19 H CYS 19 0.090 -6.698 -6.698 117 HA CYS 19 HA CYS 19 -0.211 -7.754 -7.754 118 1HB CYS 19 1HB CYS 19 1.527 -5.605 -5.605 119 2HB CYS 19 2HB CYS 19 1.660 -6.159 -6.159 120 H GLY 20 H GLY 20 2.268 -8.328 -8.328 121 1HA GLY 20 1HA GLY 20 4.029 -9.775 -9.775 122 2HA GLY 20 2HA GLY 20 3.328 -10.606 -10.606 123 HA PRO 21 HA PRO 21 7.119 -8.617 -8.617 124 1HB PRO 21 1HB PRO 21 6.938 -9.652 -9.652 125 2HB PRO 21 2HB PRO 21 7.719 -10.449 -10.449 126 1HG PRO 21 1HG PRO 21 5.074 -11.040 -11.040 127 2HG PRO 21 2HG PRO 21 6.181 -12.116 -12.116 128 1HD PRO 21 1HD PRO 21 3.815 -10.920 -10.920 129 2HD PRO 21 2HD PRO 21 5.084 -11.681 -11.681 130 H LEU 22 H LEU 22 3.887 -8.647 -8.647 131 HA LEU 22 HA LEU 22 4.306 -6.351 -6.351 132 1HB LEU 22 1HB LEU 22 1.734 -7.406 -7.406 133 2HB LEU 22 2HB LEU 22 1.857 -6.234 -6.234 134 HG LEU 22 HG LEU 22 2.814 -9.133 -9.133 135 1HD1 LEU 22 1HD1 LEU 22 0.345 -8.865 -8.865 136 2HD1 LEU 22 2HD1 LEU 22 0.415 -7.765 -7.765 137 3HD1 LEU 22 3HD1 LEU 22 0.894 -9.465 -9.465 138 1HD2 LEU 22 2HD2 LEU 22 2.775 -6.874 -6.874 139 2HD2 LEU 22 3HD2 LEU 22 4.184 -7.807 -7.807 140 3HD2 LEU 22 1HD2 LEU 22 2.938 -8.582 -8.582 141 H ILE 23 H ILE 23 4.465 -6.483 -6.483 142 HA ILE 23 HA ILE 23 3.259 -4.004 -4.004 143 HB ILE 23 HB ILE 23 5.748 -5.421 -5.421 144 1HG1 ILE 23 1HG1 ILE 23 3.048 -4.981 -4.981 145 2HG1 ILE 23 2HG1 ILE 23 3.402 -6.416 -6.416 146 1HG2 ILE 23 1HG2 ILE 23 4.341 -2.974 -2.974 147 2HG2 ILE 23 2HG2 ILE 23 5.618 -3.911 -3.911 148 3HG2 ILE 23 3HG2 ILE 23 5.983 -3.049 -3.049 149 1HD1 ILE 23 1HD1 ILE 23 5.354 -6.899 -6.899 150 2HD1 ILE 23 2HD1 ILE 23 4.734 -5.628 -5.628 151 3HD1 ILE 23 3HD1 ILE 23 3.740 -7.046 -7.046 152 H GLU 24 H GLU 24 6.224 -4.828 -4.828 153 HA GLU 24 HA GLU 24 7.082 -2.063 -2.063 154 1HB GLU 24 1HB GLU 24 8.588 -4.112 -4.112 155 2HB GLU 24 2HB GLU 24 7.777 -4.210 -4.210 156 1HG GLU 24 1HG GLU 24 8.439 -1.893 -1.893 157 2HG GLU 24 2HG GLU 24 9.168 -1.671 -1.671 158 H ILE 25 H ILE 25 5.516 -3.901 -3.901 159 HA ILE 25 HA ILE 25 5.127 -1.621 -1.621 160 HB ILE 25 HB ILE 25 3.413 -4.131 -4.131 161 1HG1 ILE 25 1HG1 ILE 25 4.391 -4.875 -4.875 162 2HG1 ILE 25 2HG1 ILE 25 5.369 -3.412 -3.412 163 1HG2 ILE 25 3HG2 ILE 25 3.306 -1.927 -1.927 164 2HG2 ILE 25 1HG2 ILE 25 2.547 -3.516 -3.516 165 3HG2 ILE 25 2HG2 ILE 25 1.993 -2.444 -2.444 166 1HD1 ILE 25 1HD1 ILE 25 5.680 -5.515 -5.515 167 2HD1 ILE 25 2HD1 ILE 25 6.608 -5.457 -5.457 168 3HD1 ILE 25 3HD1 ILE 25 6.778 -4.146 -4.146 169 H CYS 26 H CYS 26 3.354 -2.676 -2.676 170 HA CYS 26 HA CYS 26 1.035 -1.001 -1.001 171 1HB CYS 26 1HB CYS 26 1.128 -3.018 -3.018 172 2HB CYS 26 2HB CYS 26 2.159 -2.223 -2.223 173 H GLU 27 H GLU 27 4.032 -0.841 -0.841 174 HA GLU 27 HA GLU 27 3.447 1.726 1.726 175 1HB GLU 27 1HB GLU 27 5.162 0.184 0.184 176 2HB GLU 27 2HB GLU 27 6.158 0.442 0.442 177 1HG GLU 27 1HG GLU 27 6.419 2.792 2.792 178 2HG GLU 27 2HG GLU 27 5.215 2.660 2.660 179 H LEU 28 H LEU 28 5.090 0.679 0.679 180 HA LEU 28 HA LEU 28 5.986 3.221 3.221 181 1HB LEU 28 1HB LEU 28 5.754 0.440 0.440 182 2HB LEU 28 2HB LEU 28 5.609 1.582 1.582 183 HG LEU 28 HG LEU 28 7.900 0.755 0.755 184 1HD1 LEU 28 2HD1 LEU 28 7.558 2.970 2.970 185 2HD1 LEU 28 3HD1 LEU 28 7.707 3.755 3.755 186 3HD1 LEU 28 1HD1 LEU 28 9.083 2.872 2.872 187 1HD2 LEU 28 3HD2 LEU 28 7.811 0.517 0.517 188 2HD2 LEU 28 1HD2 LEU 28 9.240 1.396 1.396 189 3HD2 LEU 28 2HD2 LEU 28 7.898 2.283 2.283 190 H THR 29 H THR 29 3.014 1.404 1.404 191 HA THR 29 HA THR 29 1.963 3.398 3.398 192 HB THR 29 HB THR 29 0.484 1.386 1.386 193 HG1 THR 29 1HG THR 29 2.068 0.491 0.491 194 1HG2 THR 29 3HG2 THR 29 -0.999 3.126 3.126 195 2HG2 THR 29 1HG2 THR 29 -0.371 2.746 2.746 196 3HG2 THR 29 2HG2 THR 29 -1.290 1.529 1.529 197 H VAL 30 H VAL 30 1.604 2.919 2.919 198 HA VAL 30 HA VAL 30 -0.216 5.100 5.100 199 HB VAL 30 HB VAL 30 1.729 3.796 3.796 200 1HG1 VAL 30 1HG1 VAL 30 -0.636 5.654 5.654 201 2HG1 VAL 30 2HG1 VAL 30 0.282 4.829 4.829 202 3HG1 VAL 30 3HG1 VAL 30 1.061 6.076 6.076 203 1HG2 VAL 30 1HG2 VAL 30 -0.131 2.315 2.315 204 2HG2 VAL 30 2HG2 VAL 30 -0.306 2.649 2.649 205 3HG2 VAL 30 3HG2 VAL 30 -1.290 3.521 3.521 206 H MET 31 H MET 31 3.374 4.950 4.950 207 HA MET 31 HA MET 31 3.952 7.632 7.632 208 1HB MET 31 1HB MET 31 5.267 5.363 5.363 209 2HB MET 31 2HB MET 31 5.783 6.726 6.726 210 1HG MET 31 1HG MET 31 6.502 7.902 7.902 211 2HG MET 31 2HG MET 31 5.798 6.643 6.643 212 1HE MET 31 2HE MET 31 8.689 7.792 7.792 213 2HE MET 31 3HE MET 31 8.118 6.544 6.544 214 3HE MET 31 1HE MET 31 9.670 6.323 6.323 215 H GLN 32 H GLN 32 3.067 5.991 5.991 216 HA GLN 32 HA GLN 32 3.444 8.274 8.274 217 1HB GLN 32 1HB GLN 32 3.091 5.430 5.430 218 2HB GLN 32 2HB GLN 32 1.911 6.145 6.145 219 1HG GLN 32 1HG GLN 32 4.034 5.694 5.694 220 2HG GLN 32 2HG GLN 32 3.752 7.436 7.436 221 1HE2 GLN 32 2HE2 GLN 32 6.587 6.161 6.161 222 2HE2 GLN 32 1HE2 GLN 32 5.036 5.355 5.355 223 H ASN 33 H ASN 33 1.008 7.926 7.926 224 HA ASN 33 HA ASN 33 -0.751 9.636 9.636 225 1HB ASN 33 1HB ASN 33 -2.716 8.476 8.476 226 2HB ASN 33 2HB ASN 33 -1.566 7.272 7.272 227 1HD2 ASN 33 2HD2 ASN 33 -2.172 5.098 5.098 228 2HD2 ASN 33 1HD2 ASN 33 -1.061 5.508 5.508 229 H CYS 34 H CYS 34 -0.330 8.138 8.138 230 HA CYS 34 HA CYS 34 -1.651 10.371 10.371 231 1HB CYS 34 1HB CYS 34 -1.850 7.780 7.780 232 2HB CYS 34 2HB CYS 34 -0.298 7.969 7.969 233 H GLU 35 H GLU 35 -0.290 10.772 10.772 234 HA GLU 35 HA GLU 35 2.643 10.960 10.960 235 1HB GLU 35 1HB GLU 35 0.766 13.034 13.034 236 2HB GLU 35 2HB GLU 35 1.752 12.802 12.802 237 1HG GLU 35 1HG GLU 35 3.028 13.027 13.027 238 2HG GLU 35 2HG GLU 35 2.538 14.445 14.445 239 HA PRO 36 HA PRO 36 1.781 8.089 8.089 240 1HB PRO 36 1HB PRO 36 3.499 6.044 6.044 241 2HB PRO 36 2HB PRO 36 1.908 6.325 6.325 242 1HG PRO 36 1HG PRO 36 4.686 7.197 7.197 243 2HG PRO 36 2HG PRO 36 3.468 6.346 6.346 244 1HD PRO 36 1HD PRO 36 3.849 9.079 9.079 245 2HD PRO 36 2HD PRO 36 2.242 8.346 8.346 246 HA PRO 37 HA PRO 37 2.987 6.010 6.010 247 1HB PRO 37 1HB PRO 37 3.426 5.722 5.722 248 2HB PRO 37 2HB PRO 37 4.656 5.300 5.300 249 1HG PRO 37 1HG PRO 37 4.449 7.807 7.807 250 2HG PRO 37 2HG PRO 37 5.913 6.833 6.833 251 1HD PRO 37 1HD PRO 37 5.326 9.114 9.114 252 2HD PRO 37 2HD PRO 37 6.149 7.723 7.723 253 H PHE 38 H PHE 38 0.788 5.814 5.814 254 HA PHE 38 HA PHE 38 -0.712 8.139 8.139 255 1HB PHE 38 1HB PHE 38 -1.559 6.132 6.132 256 2HB PHE 38 2HB PHE 38 -0.971 5.232 5.232 257 HD1 PHE 38 2HD PHE 38 -3.364 7.910 7.910 258 HD2 PHE 38 1HD PHE 38 -2.473 4.362 4.362 259 HE1 PHE 38 2HE PHE 38 -5.720 7.900 7.900 260 HE2 PHE 38 1HE PHE 38 -4.831 4.270 4.270 261 1HZ PHE 38 HZ PHE 38 -6.445 6.067 6.067 262 H SER 39 H SER 39 -0.810 9.644 9.644 263 HA SER 39 HA SER 39 -0.475 8.931 8.931 264 1HB SER 39 1HB SER 39 -0.695 11.477 11.477 265 2HB SER 39 2HB SER 39 0.781 10.846 10.846 266 HG SER 39 HG SER 39 -0.057 11.323 11.323 Start of MODEL 12 1 HA ASP 1 HA ASP 1 -8.240 -8.862 -8.862 2 1HB ASP 1 1HB ASP 1 -6.523 -9.267 -9.267 3 2HB ASP 1 2HB ASP 1 -5.607 -7.885 -7.885 4 H GLU 2 H GLU 2 -6.949 -8.494 -8.494 5 HA GLU 2 HA GLU 2 -7.645 -5.968 -5.968 6 1HB GLU 2 1HB GLU 2 -5.914 -8.252 -8.252 7 2HB GLU 2 2HB GLU 2 -6.500 -6.889 -6.889 8 1HG GLU 2 1HG GLU 2 -8.366 -8.838 -8.838 9 2HG GLU 2 2HG GLU 2 -7.809 -9.002 -9.002 10 H CYS 3 H CYS 3 -4.600 -7.341 -7.341 11 HA CYS 3 HA CYS 3 -2.966 -5.259 -5.259 12 1HB CYS 3 1HB CYS 3 -2.024 -7.318 -7.318 13 2HB CYS 3 2HB CYS 3 -2.576 -6.893 -6.893 14 H ALA 4 H ALA 4 -4.437 -5.611 -5.611 15 HA ALA 4 HA ALA 4 -3.766 -3.082 -3.082 16 1HB ALA 4 2HB ALA 4 -4.694 -4.915 -4.915 17 2HB ALA 4 3HB ALA 4 -6.262 -4.755 -4.755 18 3HB ALA 4 1HB ALA 4 -5.648 -3.426 -3.426 19 H ASN 5 H ASN 5 -6.642 -4.114 -4.114 20 HA ASN 5 HA ASN 5 -8.010 -1.643 -1.643 21 1HB ASN 5 1HB ASN 5 -9.036 -3.749 -3.749 22 2HB ASN 5 2HB ASN 5 -7.788 -3.960 -3.960 23 1HD2 ASN 5 2HD2 ASN 5 -10.340 -3.082 -3.082 24 2HD2 ASN 5 1HD2 ASN 5 -9.550 -4.433 -4.433 25 H ALA 6 H ALA 6 -5.464 -2.898 -2.898 26 HA ALA 6 HA ALA 6 -5.450 -0.683 -0.683 27 1HB ALA 6 3HB ALA 6 -4.249 -2.814 -2.814 28 2HB ALA 6 1HB ALA 6 -3.102 -2.449 -2.449 29 3HB ALA 6 2HB ALA 6 -3.179 -1.396 -1.396 30 H ALA 7 H ALA 7 -3.626 -1.266 -1.266 31 HA ALA 7 HA ALA 7 -2.240 1.212 1.212 32 1HB ALA 7 3HB ALA 7 -1.622 -0.640 -0.640 33 2HB ALA 7 1HB ALA 7 -3.115 -0.358 -0.358 34 3HB ALA 7 2HB ALA 7 -1.866 0.893 0.893 35 H ALA 8 H ALA 8 -5.447 0.354 0.354 36 HA ALA 8 HA ALA 8 -5.930 2.953 2.953 37 1HB ALA 8 3HB ALA 8 -7.133 0.908 0.908 38 2HB ALA 8 1HB ALA 8 -7.911 0.815 0.815 39 3HB ALA 8 2HB ALA 8 -8.252 2.184 2.184 40 H GLN 9 H GLN 9 -6.409 1.561 1.561 41 HA GLN 9 HA GLN 9 -7.973 3.793 3.793 42 1HB GLN 9 1HB GLN 9 -8.247 1.454 1.454 43 2HB GLN 9 2HB GLN 9 -6.637 1.432 1.432 44 1HG GLN 9 1HG GLN 9 -7.391 3.099 3.099 45 2HG GLN 9 2HG GLN 9 -8.959 3.227 3.227 46 1HE2 GLN 9 2HE2 GLN 9 -9.160 -0.552 -0.552 47 2HE2 GLN 9 1HE2 GLN 9 -8.640 0.022 0.022 48 H CYS 10 H CYS 10 -4.604 3.145 3.145 49 HA CYS 10 HA CYS 10 -2.734 4.288 4.288 50 1HB CYS 10 1HB CYS 10 -4.561 6.614 6.614 51 2HB CYS 10 2HB CYS 10 -2.812 6.652 6.652 52 H SER 11 H SER 11 -2.931 2.389 2.389 53 HA SER 11 HA SER 11 -1.657 3.799 3.799 54 1HB SER 11 1HB SER 11 -3.865 3.474 3.474 55 2HB SER 11 2HB SER 11 -3.974 1.850 1.850 56 HG SER 11 HG SER 11 -2.147 2.693 2.693 57 H ILE 12 H ILE 12 -0.067 2.840 2.840 58 HA ILE 12 HA ILE 12 1.284 0.782 0.782 59 HB ILE 12 HB ILE 12 2.188 2.547 2.547 60 1HG1 ILE 12 1HG1 ILE 12 1.507 3.979 3.979 61 2HG1 ILE 12 2HG1 ILE 12 3.248 3.831 3.831 62 1HG2 ILE 12 3HG2 ILE 12 3.795 0.831 0.831 63 2HG2 ILE 12 1HG2 ILE 12 4.470 2.043 2.043 64 3HG2 ILE 12 2HG2 ILE 12 3.647 0.617 0.617 65 1HD1 ILE 12 2HD1 ILE 12 2.873 1.983 1.983 66 2HD1 ILE 12 3HD1 ILE 12 1.226 2.626 2.626 67 3HD1 ILE 12 1HD1 ILE 12 2.605 3.666 3.666 68 H THR 13 H THR 13 -0.057 1.356 1.356 69 HA THR 13 HA THR 13 0.916 -1.192 -1.192 70 HB THR 13 HB THR 13 -1.331 0.589 0.589 71 HG1 THR 13 1HG THR 13 0.548 1.761 1.761 72 1HG2 THR 13 3HG2 THR 13 0.424 -1.463 -1.463 73 2HG2 THR 13 1HG2 THR 13 -0.774 -0.408 -0.408 74 3HG2 THR 13 2HG2 THR 13 -1.298 -1.662 -1.662 75 H LEU 14 H LEU 14 -2.207 -0.027 -0.027 76 HA LEU 14 HA LEU 14 -3.334 -2.704 -2.704 77 1HB LEU 14 1HB LEU 14 -3.853 -0.200 -0.200 78 2HB LEU 14 2HB LEU 14 -4.488 -1.743 -1.743 79 HG LEU 14 HG LEU 14 -4.906 -1.061 -1.061 80 1HD1 LEU 14 3HD1 LEU 14 -6.263 0.438 0.438 81 2HD1 LEU 14 1HD1 LEU 14 -6.962 0.289 0.289 82 3HD1 LEU 14 2HD1 LEU 14 -5.421 1.122 1.122 83 1HD2 LEU 14 3HD2 LEU 14 -5.685 -3.120 -3.120 84 2HD2 LEU 14 1HD2 LEU 14 -7.025 -2.160 -2.160 85 3HD2 LEU 14 2HD2 LEU 14 -6.666 -2.076 -2.076 86 H CYS 15 H CYS 15 -1.145 -1.039 -1.039 87 HA CYS 15 HA CYS 15 -1.011 -3.084 -3.084 88 1HB CYS 15 1HB CYS 15 1.318 -1.397 -1.397 89 2HB CYS 15 2HB CYS 15 1.416 -2.513 -2.513 90 H ASN 16 H ASN 16 1.222 -2.722 -2.722 91 HA ASN 16 HA ASN 16 2.250 -5.379 -5.379 92 1HB ASN 16 1HB ASN 16 3.740 -5.002 -5.002 93 2HB ASN 16 2HB ASN 16 3.686 -3.573 -3.573 94 1HD2 ASN 16 2HD2 ASN 16 3.625 -1.769 -1.769 95 2HD2 ASN 16 1HD2 ASN 16 4.594 -2.298 -2.298 96 H LEU 17 H LEU 17 -0.479 -4.389 -4.389 97 HA LEU 17 HA LEU 17 -0.706 -6.633 -6.633 98 1HB LEU 17 1HB LEU 17 -2.257 -4.601 -4.601 99 2HB LEU 17 2HB LEU 17 -3.038 -5.461 -5.461 100 HG LEU 17 HG LEU 17 -4.248 -5.638 -5.638 101 1HD1 LEU 17 2HD1 LEU 17 -3.820 -7.766 -7.766 102 2HD1 LEU 17 3HD1 LEU 17 -2.956 -8.346 -8.346 103 3HD1 LEU 17 1HD1 LEU 17 -4.677 -7.920 -7.920 104 1HD2 LEU 17 3HD2 LEU 17 -2.332 -5.156 -5.156 105 2HD2 LEU 17 1HD2 LEU 17 -3.367 -6.474 -6.474 106 3HD2 LEU 17 2HD2 LEU 17 -1.813 -6.842 -6.842 107 H TYR 18 H TYR 18 -1.504 -6.366 -6.366 108 HA TYR 18 HA TYR 18 -1.911 -9.351 -9.351 109 1HB TYR 18 1HB TYR 18 -3.276 -7.098 -7.098 110 2HB TYR 18 2HB TYR 18 -3.509 -8.812 -8.812 111 HD1 TYR 18 2HD TYR 18 -3.994 -10.273 -10.273 112 HD2 TYR 18 1HD TYR 18 -5.036 -6.127 -6.127 113 HE1 TYR 18 2HE TYR 18 -5.836 -10.523 -10.523 114 HE2 TYR 18 1HE TYR 18 -6.984 -6.425 -6.425 115 HH TYR 18 HH TYR 18 -8.279 -7.948 -7.948 116 H CYS 19 H CYS 19 -0.048 -6.837 -6.837 117 HA CYS 19 HA CYS 19 -0.228 -7.876 -7.876 118 1HB CYS 19 1HB CYS 19 1.504 -5.800 -5.800 119 2HB CYS 19 2HB CYS 19 1.704 -6.298 -6.298 120 H GLY 20 H GLY 20 2.256 -8.515 -8.515 121 1HA GLY 20 1HA GLY 20 4.091 -9.824 -9.824 122 2HA GLY 20 2HA GLY 20 3.414 -10.719 -10.719 123 HA PRO 21 HA PRO 21 7.069 -8.782 -8.782 124 1HB PRO 21 1HB PRO 21 6.813 -9.735 -9.735 125 2HB PRO 21 2HB PRO 21 7.304 -10.792 -10.792 126 1HG PRO 21 1HG PRO 21 4.555 -10.503 -10.503 127 2HG PRO 21 2HG PRO 21 5.425 -11.999 -11.999 128 1HD PRO 21 1HD PRO 21 3.523 -10.862 -10.862 129 2HD PRO 21 2HD PRO 21 4.892 -11.764 -11.764 130 H LEU 22 H LEU 22 3.756 -8.611 -8.611 131 HA LEU 22 HA LEU 22 4.247 -6.286 -6.286 132 1HB LEU 22 1HB LEU 22 1.664 -7.258 -7.258 133 2HB LEU 22 2HB LEU 22 1.805 -6.058 -6.058 134 HG LEU 22 HG LEU 22 2.447 -9.029 -9.029 135 1HD1 LEU 22 2HD1 LEU 22 0.028 -8.183 -8.183 136 2HD1 LEU 22 3HD1 LEU 22 0.459 -7.296 -7.296 137 3HD1 LEU 22 1HD1 LEU 22 0.535 -9.064 -9.064 138 1HD2 LEU 22 3HD2 LEU 22 2.937 -6.759 -6.759 139 2HD2 LEU 22 1HD2 LEU 22 4.110 -7.957 -7.957 140 3HD2 LEU 22 2HD2 LEU 22 2.813 -8.451 -8.451 141 H ILE 23 H ILE 23 4.513 -6.506 -6.506 142 HA ILE 23 HA ILE 23 3.147 -4.182 -4.182 143 HB ILE 23 HB ILE 23 5.813 -5.477 -5.477 144 1HG1 ILE 23 1HG1 ILE 23 3.125 -5.128 -5.128 145 2HG1 ILE 23 2HG1 ILE 23 3.536 -6.565 -6.565 146 1HG2 ILE 23 2HG2 ILE 23 4.402 -3.074 -3.074 147 2HG2 ILE 23 3HG2 ILE 23 5.703 -3.997 -3.997 148 3HG2 ILE 23 1HG2 ILE 23 6.034 -3.088 -3.088 149 1HD1 ILE 23 2HD1 ILE 23 5.389 -7.077 -7.077 150 2HD1 ILE 23 3HD1 ILE 23 4.861 -5.754 -5.754 151 3HD1 ILE 23 1HD1 ILE 23 3.792 -7.137 -7.137 152 H GLU 24 H GLU 24 6.279 -4.622 -4.622 153 HA GLU 24 HA GLU 24 6.894 -1.866 -1.866 154 1HB GLU 24 1HB GLU 24 8.389 -3.973 -3.973 155 2HB GLU 24 2HB GLU 24 8.077 -3.916 -3.916 156 1HG GLU 24 1HG GLU 24 9.082 -1.586 -1.586 157 2HG GLU 24 2HG GLU 24 9.360 -1.713 -1.713 158 H ILE 25 H ILE 25 5.707 -3.723 -3.723 159 HA ILE 25 HA ILE 25 5.395 -1.550 -1.550 160 HB ILE 25 HB ILE 25 3.545 -3.928 -3.928 161 1HG1 ILE 25 1HG1 ILE 25 5.814 -4.725 -4.725 162 2HG1 ILE 25 2HG1 ILE 25 4.640 -5.114 -5.114 163 1HG2 ILE 25 3HG2 ILE 25 3.688 -2.043 -2.043 164 2HG2 ILE 25 1HG2 ILE 25 2.882 -3.626 -3.626 165 3HG2 ILE 25 2HG2 ILE 25 2.307 -2.381 -2.381 166 1HD1 ILE 25 3HD1 ILE 25 5.497 -3.192 -3.192 167 2HD1 ILE 25 1HD1 ILE 25 6.726 -2.902 -2.902 168 3HD1 ILE 25 2HD1 ILE 25 6.708 -4.428 -4.428 169 H CYS 26 H CYS 26 3.442 -2.567 -2.567 170 HA CYS 26 HA CYS 26 1.126 -0.988 -0.988 171 1HB CYS 26 1HB CYS 26 1.111 -3.001 -3.001 172 2HB CYS 26 2HB CYS 26 1.991 -2.234 -2.234 173 H GLU 27 H GLU 27 3.828 -0.703 -0.703 174 HA GLU 27 HA GLU 27 3.201 1.890 1.890 175 1HB GLU 27 1HB GLU 27 4.813 0.274 0.274 176 2HB GLU 27 2HB GLU 27 5.939 0.585 0.585 177 1HG GLU 27 1HG GLU 27 6.174 2.899 2.899 178 2HG GLU 27 2HG GLU 27 4.878 2.767 2.767 179 H LEU 28 H LEU 28 5.123 0.813 0.813 180 HA LEU 28 HA LEU 28 5.929 3.362 3.362 181 1HB LEU 28 1HB LEU 28 5.791 0.576 0.576 182 2HB LEU 28 2HB LEU 28 5.506 1.672 1.672 183 HG LEU 28 HG LEU 28 7.826 0.983 0.983 184 1HD1 LEU 28 1HD1 LEU 28 7.283 3.145 3.145 185 2HD1 LEU 28 2HD1 LEU 28 7.455 3.977 3.977 186 3HD1 LEU 28 3HD1 LEU 28 8.855 3.196 3.196 187 1HD2 LEU 28 3HD2 LEU 28 7.965 0.784 0.784 188 2HD2 LEU 28 1HD2 LEU 28 9.268 1.766 1.766 189 3HD2 LEU 28 2HD2 LEU 28 7.923 2.553 2.553 190 H THR 29 H THR 29 3.025 1.491 1.491 191 HA THR 29 HA THR 29 1.948 3.344 3.344 192 HB THR 29 HB THR 29 0.474 1.453 1.453 193 HG1 THR 29 1HG THR 29 2.133 0.504 0.504 194 1HG2 THR 29 3HG2 THR 29 -0.338 2.636 2.636 195 2HG2 THR 29 1HG2 THR 29 -1.247 1.406 1.406 196 3HG2 THR 29 2HG2 THR 29 -1.048 3.029 3.029 197 H VAL 30 H VAL 30 1.570 3.044 3.044 198 HA VAL 30 HA VAL 30 -0.269 5.231 5.231 199 HB VAL 30 HB VAL 30 1.569 3.961 3.961 200 1HG1 VAL 30 1HG1 VAL 30 -0.837 5.800 5.800 201 2HG1 VAL 30 2HG1 VAL 30 0.028 4.973 4.973 202 3HG1 VAL 30 3HG1 VAL 30 0.840 6.232 6.232 203 1HG2 VAL 30 1HG2 VAL 30 -1.367 3.591 3.591 204 2HG2 VAL 30 2HG2 VAL 30 -0.120 2.378 2.378 205 3HG2 VAL 30 3HG2 VAL 30 -0.618 2.886 2.886 206 H MET 31 H MET 31 3.315 5.111 5.111 207 HA MET 31 HA MET 31 3.729 7.838 7.838 208 1HB MET 31 1HB MET 31 5.284 5.602 5.602 209 2HB MET 31 2HB MET 31 5.727 6.684 6.684 210 1HG MET 31 1HG MET 31 6.296 8.430 8.430 211 2HG MET 31 2HG MET 31 5.685 7.444 7.444 212 1HE MET 31 3HE MET 31 6.686 5.245 5.245 213 2HE MET 31 1HE MET 31 6.974 4.469 4.469 214 3HE MET 31 2HE MET 31 8.302 4.644 4.644 215 H GLN 32 H GLN 32 3.358 6.144 6.144 216 HA GLN 32 HA GLN 32 3.735 8.354 8.354 217 1HB GLN 32 1HB GLN 32 3.495 5.768 5.768 218 2HB GLN 32 2HB GLN 32 1.815 6.236 6.236 219 1HG GLN 32 1HG GLN 32 2.721 8.002 8.002 220 2HG GLN 32 2HG GLN 32 4.338 7.388 7.388 221 1HE2 GLN 32 2HE2 GLN 32 2.296 5.738 5.738 222 2HE2 GLN 32 1HE2 GLN 32 1.936 7.287 7.287 223 H ASN 33 H ASN 33 0.891 7.650 7.650 224 HA ASN 33 HA ASN 33 -0.622 9.775 9.775 225 1HB ASN 33 1HB ASN 33 -2.464 8.516 8.516 226 2HB ASN 33 2HB ASN 33 -1.237 7.242 7.242 227 1HD2 ASN 33 2HD2 ASN 33 -2.215 5.536 5.536 228 2HD2 ASN 33 1HD2 ASN 33 -0.885 5.855 5.855 229 H CYS 34 H CYS 34 0.678 9.091 9.091 230 HA CYS 34 HA CYS 34 -1.140 10.841 10.841 231 1HB CYS 34 1HB CYS 34 -0.851 7.858 7.858 232 2HB CYS 34 2HB CYS 34 -1.040 8.846 8.846 233 H GLU 35 H GLU 35 -0.077 10.938 10.938 234 HA GLU 35 HA GLU 35 2.903 10.676 10.676 235 1HB GLU 35 1HB GLU 35 2.087 13.001 13.001 236 2HB GLU 35 2HB GLU 35 1.343 12.491 12.491 237 1HG GLU 35 1HG GLU 35 3.379 13.287 13.287 238 2HG GLU 35 2HG GLU 35 3.788 11.591 11.591 239 HA PRO 36 HA PRO 36 1.625 7.620 7.620 240 1HB PRO 36 1HB PRO 36 3.511 5.716 5.716 241 2HB PRO 36 2HB PRO 36 1.921 5.858 5.858 242 1HG PRO 36 1HG PRO 36 4.654 6.860 6.860 243 2HG PRO 36 2HG PRO 36 3.465 5.989 5.989 244 1HD PRO 36 1HD PRO 36 3.796 8.732 8.732 245 2HD PRO 36 2HD PRO 36 2.217 7.983 7.983 246 HA PRO 37 HA PRO 37 2.931 5.671 5.671 247 1HB PRO 37 1HB PRO 37 3.283 5.614 5.614 248 2HB PRO 37 2HB PRO 37 4.558 5.119 5.119 249 1HG PRO 37 1HG PRO 37 4.228 7.802 7.802 250 2HG PRO 37 2HG PRO 37 5.725 6.828 6.828 251 1HD PRO 37 1HD PRO 37 5.177 8.901 8.901 252 2HD PRO 37 2HD PRO 37 5.956 7.412 7.412 253 H PHE 38 H PHE 38 0.723 5.609 5.609 254 HA PHE 38 HA PHE 38 -0.822 7.875 7.875 255 1HB PHE 38 1HB PHE 38 -1.606 6.046 6.046 256 2HB PHE 38 2HB PHE 38 -1.246 4.913 4.913 257 HD1 PHE 38 2HD PHE 38 -3.524 7.575 7.575 258 HD2 PHE 38 1HD PHE 38 -2.795 4.342 4.342 259 HE1 PHE 38 2HE PHE 38 -5.843 7.838 7.838 260 HE2 PHE 38 1HE PHE 38 -5.061 4.587 4.587 261 1HZ PHE 38 HZ PHE 38 -6.557 6.445 6.445 262 H SER 39 H SER 39 -0.714 9.023 9.023 263 HA SER 39 HA SER 39 -0.926 7.761 7.761 264 1HB SER 39 1HB SER 39 0.687 10.158 10.158 265 2HB SER 39 2HB SER 39 0.538 9.659 9.659 266 HG SER 39 HG SER 39 1.633 8.176 8.176 Start of MODEL 13 1 HA ASP 1 HA ASP 1 -6.597 -8.889 -8.889 2 1HB ASP 1 1HB ASP 1 -4.001 -9.628 -9.628 3 2HB ASP 1 2HB ASP 1 -4.118 -8.786 -8.786 4 H GLU 2 H GLU 2 -6.630 -8.665 -8.665 5 HA GLU 2 HA GLU 2 -7.640 -6.130 -6.130 6 1HB GLU 2 1HB GLU 2 -6.339 -8.406 -8.406 7 2HB GLU 2 2HB GLU 2 -6.908 -6.957 -6.957 8 1HG GLU 2 1HG GLU 2 -8.770 -8.603 -8.603 9 2HG GLU 2 2HG GLU 2 -8.655 -8.775 -8.775 10 H CYS 3 H CYS 3 -4.318 -7.256 -7.256 11 HA CYS 3 HA CYS 3 -3.008 -5.212 -5.212 12 1HB CYS 3 1HB CYS 3 -1.830 -7.143 -7.143 13 2HB CYS 3 2HB CYS 3 -2.237 -6.686 -6.686 14 H ALA 4 H ALA 4 -4.126 -5.256 -5.256 15 HA ALA 4 HA ALA 4 -3.318 -2.603 -2.603 16 1HB ALA 4 1HB ALA 4 -4.003 -4.251 -4.251 17 2HB ALA 4 2HB ALA 4 -5.671 -4.208 -4.208 18 3HB ALA 4 3HB ALA 4 -4.953 -2.757 -2.757 19 H ASN 5 H ASN 5 -6.287 -3.902 -3.902 20 HA ASN 5 HA ASN 5 -7.706 -1.390 -1.390 21 1HB ASN 5 1HB ASN 5 -8.003 -3.776 -3.776 22 2HB ASN 5 2HB ASN 5 -9.024 -2.341 -2.341 23 1HD2 ASN 5 2HD2 ASN 5 -10.419 -5.077 -5.077 24 2HD2 ASN 5 1HD2 ASN 5 -9.768 -5.281 -5.281 25 H ALA 6 H ALA 6 -5.540 -2.861 -2.861 26 HA ALA 6 HA ALA 6 -5.621 -0.695 -0.695 27 1HB ALA 6 1HB ALA 6 -3.387 -2.690 -2.690 28 2HB ALA 6 2HB ALA 6 -3.428 -1.547 -1.547 29 3HB ALA 6 3HB ALA 6 -4.640 -2.828 -2.828 30 H ALA 7 H ALA 7 -3.574 -1.226 -1.226 31 HA ALA 7 HA ALA 7 -2.025 1.118 1.118 32 1HB ALA 7 1HB ALA 7 -1.718 -0.787 -0.787 33 2HB ALA 7 2HB ALA 7 -2.974 0.004 0.004 34 3HB ALA 7 3HB ALA 7 -1.491 0.872 0.872 35 H ALA 8 H ALA 8 -5.141 0.609 0.609 36 HA ALA 8 HA ALA 8 -5.510 3.225 3.225 37 1HB ALA 8 3HB ALA 8 -6.861 1.283 1.283 38 2HB ALA 8 1HB ALA 8 -7.640 1.228 1.228 39 3HB ALA 8 2HB ALA 8 -7.878 2.630 2.630 40 H GLN 9 H GLN 9 -6.412 1.755 1.755 41 HA GLN 9 HA GLN 9 -7.672 4.148 4.148 42 1HB GLN 9 1HB GLN 9 -8.333 1.994 1.994 43 2HB GLN 9 2HB GLN 9 -6.697 1.618 1.618 44 1HG GLN 9 1HG GLN 9 -6.821 3.143 3.143 45 2HG GLN 9 2HG GLN 9 -8.125 4.078 4.078 46 1HE2 GLN 9 2HE2 GLN 9 -9.723 0.636 0.636 47 2HE2 GLN 9 1HE2 GLN 9 -8.526 0.554 0.554 48 H CYS 10 H CYS 10 -4.346 3.491 3.491 49 HA CYS 10 HA CYS 10 -2.481 4.592 4.592 50 1HB CYS 10 1HB CYS 10 -3.476 6.662 6.662 51 2HB CYS 10 2HB CYS 10 -4.469 6.736 6.736 52 H SER 11 H SER 11 -2.640 2.652 2.652 53 HA SER 11 HA SER 11 -1.708 3.793 3.793 54 1HB SER 11 1HB SER 11 -4.105 3.258 3.258 55 2HB SER 11 2HB SER 11 -3.905 1.675 1.675 56 HG SER 11 HG SER 11 -3.799 1.917 1.917 57 H ILE 12 H ILE 12 0.146 3.110 3.110 58 HA ILE 12 HA ILE 12 1.333 0.842 0.842 59 HB ILE 12 HB ILE 12 2.296 2.540 2.540 60 1HG1 ILE 12 1HG1 ILE 12 1.809 3.999 3.999 61 2HG1 ILE 12 2HG1 ILE 12 3.534 3.737 3.737 62 1HG2 ILE 12 2HG2 ILE 12 3.847 0.733 0.733 63 2HG2 ILE 12 3HG2 ILE 12 4.529 1.815 1.815 64 3HG2 ILE 12 1HG2 ILE 12 3.553 0.419 0.419 65 1HD1 ILE 12 2HD1 ILE 12 3.114 1.898 1.898 66 2HD1 ILE 12 3HD1 ILE 12 1.517 2.629 2.629 67 3HD1 ILE 12 1HD1 ILE 12 2.963 3.588 3.588 68 H THR 13 H THR 13 -0.342 1.446 1.446 69 HA THR 13 HA THR 13 0.629 -0.930 -0.930 70 HB THR 13 HB THR 13 -2.028 0.477 0.477 71 HG1 THR 13 1HG THR 13 0.441 1.309 1.309 72 1HG2 THR 13 1HG2 THR 13 -1.546 -1.560 -1.560 73 2HG2 THR 13 2HG2 THR 13 -0.020 -0.832 -0.832 74 3HG2 THR 13 3HG2 THR 13 -1.575 -0.082 -0.082 75 H LEU 14 H LEU 14 -2.461 -0.071 -0.071 76 HA LEU 14 HA LEU 14 -3.477 -2.774 -2.774 77 1HB LEU 14 1HB LEU 14 -4.194 -0.437 -0.437 78 2HB LEU 14 2HB LEU 14 -5.019 -1.966 -1.966 79 HG LEU 14 HG LEU 14 -4.705 -0.078 -0.078 80 1HD1 LEU 14 1HD1 LEU 14 -6.962 -0.556 -0.556 81 2HD1 LEU 14 2HD1 LEU 14 -7.074 0.443 0.443 82 3HD1 LEU 14 3HD1 LEU 14 -5.994 0.932 0.932 83 1HD2 LEU 14 2HD2 LEU 14 -6.371 -2.512 -2.512 84 2HD2 LEU 14 3HD2 LEU 14 -5.097 -2.376 -2.376 85 3HD2 LEU 14 1HD2 LEU 14 -6.612 -1.446 -1.446 86 H CYS 15 H CYS 15 -1.278 -1.046 -1.046 87 HA CYS 15 HA CYS 15 -1.184 -3.012 -3.012 88 1HB CYS 15 1HB CYS 15 1.029 -1.249 -1.249 89 2HB CYS 15 2HB CYS 15 1.313 -2.411 -2.411 90 H ASN 16 H ASN 16 1.202 -2.621 -2.621 91 HA ASN 16 HA ASN 16 2.374 -5.082 -5.082 92 1HB ASN 16 1HB ASN 16 2.108 -3.737 -3.737 93 2HB ASN 16 2HB ASN 16 3.358 -4.875 -4.875 94 1HD2 ASN 16 2HD2 ASN 16 5.009 -1.623 -1.623 95 2HD2 ASN 16 1HD2 ASN 16 4.214 -2.659 -2.659 96 H LEU 17 H LEU 17 -0.501 -4.404 -4.404 97 HA LEU 17 HA LEU 17 -0.806 -6.605 -6.605 98 1HB LEU 17 1HB LEU 17 -2.332 -4.548 -4.548 99 2HB LEU 17 2HB LEU 17 -3.096 -5.520 -5.520 100 HG LEU 17 HG LEU 17 -4.426 -5.668 -5.668 101 1HD1 LEU 17 3HD1 LEU 17 -3.773 -7.954 -7.954 102 2HD1 LEU 17 1HD1 LEU 17 -2.698 -8.106 -8.106 103 3HD1 LEU 17 2HD1 LEU 17 -4.448 -7.909 -7.909 104 1HD2 LEU 17 1HD2 LEU 17 -1.915 -5.969 -5.969 105 2HD2 LEU 17 2HD2 LEU 17 -2.982 -4.562 -4.562 106 3HD2 LEU 17 3HD2 LEU 17 -3.571 -6.074 -6.074 107 H TYR 18 H TYR 18 -1.591 -6.507 -6.507 108 HA TYR 18 HA TYR 18 -1.632 -9.518 -9.518 109 1HB TYR 18 1HB TYR 18 -3.467 -7.598 -7.598 110 2HB TYR 18 2HB TYR 18 -3.330 -9.309 -9.309 111 HD1 TYR 18 2HD TYR 18 -3.412 -10.942 -10.942 112 HD2 TYR 18 1HD TYR 18 -5.265 -7.079 -7.079 113 HE1 TYR 18 2HE TYR 18 -4.904 -11.539 -11.539 114 HE2 TYR 18 1HE TYR 18 -6.891 -7.735 -7.735 115 HH TYR 18 HH TYR 18 -7.289 -9.235 -9.235 116 H CYS 19 H CYS 19 -0.181 -6.774 -6.774 117 HA CYS 19 HA CYS 19 -0.079 -7.817 -7.817 118 1HB CYS 19 1HB CYS 19 1.488 -5.702 -5.702 119 2HB CYS 19 2HB CYS 19 1.796 -6.116 -6.116 120 H GLY 20 H GLY 20 2.244 -8.128 -8.128 121 1HA GLY 20 1HA GLY 20 4.198 -9.333 -9.333 122 2HA GLY 20 2HA GLY 20 3.470 -10.461 -10.461 123 HA PRO 21 HA PRO 21 6.969 -8.832 -8.832 124 1HB PRO 21 1HB PRO 21 6.608 -10.323 -10.323 125 2HB PRO 21 2HB PRO 21 7.266 -10.998 -10.998 126 1HG PRO 21 1HG PRO 21 4.462 -11.249 -11.249 127 2HG PRO 21 2HG PRO 21 5.480 -12.509 -12.509 128 1HD PRO 21 1HD PRO 21 3.546 -11.108 -11.108 129 2HD PRO 21 2HD PRO 21 5.002 -11.775 -11.775 130 H LEU 22 H LEU 22 3.530 -8.853 -8.853 131 HA LEU 22 HA LEU 22 3.892 -6.912 -6.912 132 1HB LEU 22 1HB LEU 22 1.488 -7.546 -7.546 133 2HB LEU 22 2HB LEU 22 1.535 -6.467 -6.467 134 HG LEU 22 HG LEU 22 2.185 -8.256 -8.256 135 1HD1 LEU 22 3HD1 LEU 22 1.955 -10.125 -10.125 136 2HD1 LEU 22 1HD1 LEU 22 1.796 -10.654 -10.654 137 3HD1 LEU 22 2HD1 LEU 22 3.298 -9.913 -9.913 138 1HD2 LEU 22 3HD2 LEU 22 -0.213 -7.653 -7.653 139 2HD2 LEU 22 1HD2 LEU 22 -0.031 -9.358 -9.358 140 3HD2 LEU 22 2HD2 LEU 22 -0.286 -8.916 -8.916 141 H ILE 23 H ILE 23 4.466 -6.578 -6.578 142 HA ILE 23 HA ILE 23 3.300 -4.108 -4.108 143 HB ILE 23 HB ILE 23 5.914 -5.364 -5.364 144 1HG1 ILE 23 1HG1 ILE 23 3.298 -4.722 -4.722 145 2HG1 ILE 23 2HG1 ILE 23 3.554 -6.267 -6.267 146 1HG2 ILE 23 3HG2 ILE 23 4.569 -2.778 -2.778 147 2HG2 ILE 23 1HG2 ILE 23 5.806 -3.630 -3.630 148 3HG2 ILE 23 2HG2 ILE 23 6.222 -2.949 -2.949 149 1HD1 ILE 23 2HD1 ILE 23 5.582 -6.643 -6.643 150 2HD1 ILE 23 3HD1 ILE 23 5.019 -5.277 -5.277 151 3HD1 ILE 23 1HD1 ILE 23 4.009 -6.718 -6.718 152 H GLU 24 H GLU 24 6.324 -4.816 -4.816 153 HA GLU 24 HA GLU 24 7.198 -2.134 -2.134 154 1HB GLU 24 1HB GLU 24 8.526 -4.307 -4.307 155 2HB GLU 24 2HB GLU 24 7.826 -4.312 -4.312 156 1HG GLU 24 1HG GLU 24 8.824 -1.918 -1.918 157 2HG GLU 24 2HG GLU 24 9.781 -2.284 -2.284 158 H ILE 25 H ILE 25 5.737 -3.751 -3.751 159 HA ILE 25 HA ILE 25 5.314 -1.362 -1.362 160 HB ILE 25 HB ILE 25 3.829 -4.000 -4.000 161 1HG1 ILE 25 1HG1 ILE 25 6.237 -4.004 -4.004 162 2HG1 ILE 25 2HG1 ILE 25 5.046 -4.604 -4.604 163 1HG2 ILE 25 3HG2 ILE 25 3.381 -1.681 -1.681 164 2HG2 ILE 25 1HG2 ILE 25 2.899 -3.357 -3.357 165 3HG2 ILE 25 2HG2 ILE 25 2.196 -2.513 -2.513 166 1HD1 ILE 25 2HD1 ILE 25 5.175 -2.465 -2.465 167 2HD1 ILE 25 3HD1 ILE 25 6.375 -1.861 -1.861 168 3HD1 ILE 25 1HD1 ILE 25 6.746 -3.251 -3.251 169 H CYS 26 H CYS 26 3.612 -2.626 -2.626 170 HA CYS 26 HA CYS 26 1.219 -1.051 -1.051 171 1HB CYS 26 1HB CYS 26 1.462 -3.083 -3.083 172 2HB CYS 26 2HB CYS 26 2.220 -2.074 -2.074 173 H GLU 27 H GLU 27 4.231 -0.711 -0.711 174 HA GLU 27 HA GLU 27 3.530 1.791 1.791 175 1HB GLU 27 1HB GLU 27 5.338 0.127 0.127 176 2HB GLU 27 2HB GLU 27 6.344 0.753 0.753 177 1HG GLU 27 1HG GLU 27 6.150 3.041 3.041 178 2HG GLU 27 2HG GLU 27 5.205 2.347 2.347 179 H LEU 28 H LEU 28 5.208 0.795 0.795 180 HA LEU 28 HA LEU 28 5.928 3.405 3.405 181 1HB LEU 28 1HB LEU 28 5.784 0.644 0.644 182 2HB LEU 28 2HB LEU 28 5.566 1.844 1.844 183 HG LEU 28 HG LEU 28 7.885 1.105 1.105 184 1HD1 LEU 28 1HD1 LEU 28 7.422 3.396 3.396 185 2HD1 LEU 28 2HD1 LEU 28 7.655 4.041 4.041 186 3HD1 LEU 28 3HD1 LEU 28 8.990 3.244 3.244 187 1HD2 LEU 28 2HD2 LEU 28 7.877 0.652 0.652 188 2HD2 LEU 28 3HD2 LEU 28 9.227 1.678 1.678 189 3HD2 LEU 28 1HD2 LEU 28 7.827 2.392 2.392 190 H THR 29 H THR 29 2.990 1.456 1.456 191 HA THR 29 HA THR 29 1.712 3.361 3.361 192 HB THR 29 HB THR 29 0.529 1.306 1.306 193 HG1 THR 29 1HG THR 29 1.864 0.468 0.468 194 1HG2 THR 29 3HG2 THR 29 -0.763 2.912 2.912 195 2HG2 THR 29 1HG2 THR 29 -1.494 1.494 1.494 196 3HG2 THR 29 2HG2 THR 29 -1.200 2.951 2.951 197 H VAL 30 H VAL 30 1.749 2.928 2.928 198 HA VAL 30 HA VAL 30 -0.195 4.918 4.918 199 HB VAL 30 HB VAL 30 1.930 3.730 3.730 200 1HG1 VAL 30 1HG1 VAL 30 -0.520 5.395 5.395 201 2HG1 VAL 30 2HG1 VAL 30 0.485 4.616 4.616 202 3HG1 VAL 30 3HG1 VAL 30 1.141 5.945 5.945 203 1HG2 VAL 30 2HG2 VAL 30 0.108 2.160 2.160 204 2HG2 VAL 30 3HG2 VAL 30 -0.034 2.457 2.457 205 3HG2 VAL 30 1HG2 VAL 30 -1.090 3.289 3.289 206 H MET 31 H MET 31 3.380 5.083 5.083 207 HA MET 31 HA MET 31 3.740 7.873 7.873 208 1HB MET 31 1HB MET 31 5.352 5.784 5.784 209 2HB MET 31 2HB MET 31 5.266 6.413 6.413 210 1HG MET 31 1HG MET 31 5.857 8.723 8.723 211 2HG MET 31 2HG MET 31 6.346 7.877 7.877 212 1HE MET 31 2HE MET 31 7.680 5.209 5.209 213 2HE MET 31 3HE MET 31 9.362 5.746 5.746 214 3HE MET 31 1HE MET 31 8.433 6.263 6.263 215 H GLN 32 H GLN 32 2.881 6.016 6.016 216 HA GLN 32 HA GLN 32 2.968 8.150 8.150 217 1HB GLN 32 1HB GLN 32 2.703 5.472 5.472 218 2HB GLN 32 2HB GLN 32 1.063 5.965 5.965 219 1HG GLN 32 1HG GLN 32 3.611 7.072 7.072 220 2HG GLN 32 2HG GLN 32 2.749 5.658 5.658 221 1HE2 GLN 32 2HE2 GLN 32 0.960 9.341 9.341 222 2HE2 GLN 32 1HE2 GLN 32 2.228 9.190 9.190 223 H ASN 33 H ASN 33 0.152 6.809 6.809 224 HA ASN 33 HA ASN 33 -1.625 8.805 8.805 225 1HB ASN 33 1HB ASN 33 -3.433 7.680 7.680 226 2HB ASN 33 2HB ASN 33 -2.346 6.478 6.478 227 1HD2 ASN 33 2HD2 ASN 33 -3.303 4.837 4.837 228 2HD2 ASN 33 1HD2 ASN 33 -4.090 5.399 5.399 229 H CYS 34 H CYS 34 0.159 8.544 8.544 230 HA CYS 34 HA CYS 34 -1.111 10.970 10.970 231 1HB CYS 34 1HB CYS 34 -2.179 9.916 9.916 232 2HB CYS 34 2HB CYS 34 -2.395 8.679 8.679 233 H GLU 35 H GLU 35 -0.124 10.846 10.846 234 HA GLU 35 HA GLU 35 2.843 10.514 10.514 235 1HB GLU 35 1HB GLU 35 2.234 12.815 12.815 236 2HB GLU 35 2HB GLU 35 1.381 12.397 12.397 237 1HG GLU 35 1HG GLU 35 3.552 11.519 11.519 238 2HG GLU 35 2HG GLU 35 4.346 11.891 11.891 239 HA PRO 36 HA PRO 36 1.871 7.533 7.533 240 1HB PRO 36 1HB PRO 36 3.885 5.723 5.723 241 2HB PRO 36 2HB PRO 36 2.271 5.732 5.732 242 1HG PRO 36 1HG PRO 36 4.910 6.819 6.819 243 2HG PRO 36 2HG PRO 36 3.687 5.911 5.911 244 1HD PRO 36 1HD PRO 36 3.991 8.684 8.684 245 2HD PRO 36 2HD PRO 36 2.437 7.886 7.886 246 HA PRO 37 HA PRO 37 3.144 5.697 5.697 247 1HB PRO 37 1HB PRO 37 3.599 5.508 5.508 248 2HB PRO 37 2HB PRO 37 4.900 5.186 5.186 249 1HG PRO 37 1HG PRO 37 4.408 7.758 7.758 250 2HG PRO 37 2HG PRO 37 5.951 6.877 6.877 251 1HD PRO 37 1HD PRO 37 5.233 9.005 9.005 252 2HD PRO 37 2HD PRO 37 6.194 7.645 7.645 253 H PHE 38 H PHE 38 0.827 5.596 5.596 254 HA PHE 38 HA PHE 38 -0.317 8.130 8.130 255 1HB PHE 38 1HB PHE 38 -1.572 7.350 7.350 256 2HB PHE 38 2HB PHE 38 -1.091 5.707 5.707 257 HD1 PHE 38 2HD PHE 38 -2.081 4.305 4.305 258 HD2 PHE 38 1HD PHE 38 -3.475 8.204 8.204 259 HE1 PHE 38 2HE PHE 38 -4.110 3.924 3.924 260 HE2 PHE 38 1HE PHE 38 -5.497 7.890 7.890 261 1HZ PHE 38 HZ PHE 38 -5.747 5.752 5.752 262 H SER 39 H SER 39 -1.331 8.396 8.396 263 HA SER 39 HA SER 39 -2.479 6.387 6.387 264 1HB SER 39 1HB SER 39 0.162 6.413 6.413 265 2HB SER 39 2HB SER 39 -0.488 7.702 7.702 266 HG SER 39 HG SER 39 -1.476 5.031 5.031 Start of MODEL 14 1 HA ASP 1 HA ASP 1 -6.980 -9.570 -9.570 2 1HB ASP 1 1HB ASP 1 -4.633 -8.972 -8.972 3 2HB ASP 1 2HB ASP 1 -4.865 -9.891 -9.891 4 H GLU 2 H GLU 2 -6.952 -8.921 -8.921 5 HA GLU 2 HA GLU 2 -8.108 -6.312 -6.312 6 1HB GLU 2 1HB GLU 2 -8.159 -8.603 -8.603 7 2HB GLU 2 2HB GLU 2 -6.759 -7.852 -7.852 8 1HG GLU 2 1HG GLU 2 -8.652 -7.155 -7.155 9 2HG GLU 2 2HG GLU 2 -8.280 -5.743 -5.743 10 H CYS 3 H CYS 3 -4.846 -7.690 -7.690 11 HA CYS 3 HA CYS 3 -3.373 -5.559 -5.559 12 1HB CYS 3 1HB CYS 3 -2.325 -7.594 -7.594 13 2HB CYS 3 2HB CYS 3 -2.854 -7.529 -7.529 14 H ALA 4 H ALA 4 -4.825 -5.778 -5.778 15 HA ALA 4 HA ALA 4 -3.676 -3.319 -3.319 16 1HB ALA 4 1HB ALA 4 -4.687 -4.861 -4.861 17 2HB ALA 4 2HB ALA 4 -6.289 -4.632 -4.632 18 3HB ALA 4 3HB ALA 4 -5.478 -3.284 -3.284 19 H ASN 5 H ASN 5 -6.763 -4.181 -4.181 20 HA ASN 5 HA ASN 5 -7.926 -1.603 -1.603 21 1HB ASN 5 1HB ASN 5 -9.223 -3.597 -3.597 22 2HB ASN 5 2HB ASN 5 -8.255 -3.987 -3.987 23 1HD2 ASN 5 2HD2 ASN 5 -11.075 -2.745 -2.745 24 2HD2 ASN 5 1HD2 ASN 5 -10.315 -4.178 -4.178 25 H ALA 6 H ALA 6 -5.612 -3.173 -3.173 26 HA ALA 6 HA ALA 6 -5.580 -1.155 -1.155 27 1HB ALA 6 2HB ALA 6 -4.506 -3.350 -3.350 28 2HB ALA 6 3HB ALA 6 -3.297 -2.955 -2.955 29 3HB ALA 6 1HB ALA 6 -3.354 -2.022 -2.022 30 H ALA 7 H ALA 7 -3.687 -1.405 -1.405 31 HA ALA 7 HA ALA 7 -2.242 1.060 1.060 32 1HB ALA 7 2HB ALA 7 -1.561 -0.619 -0.619 33 2HB ALA 7 3HB ALA 7 -3.044 -0.246 -0.246 34 3HB ALA 7 1HB ALA 7 -1.827 1.011 1.011 35 H ALA 8 H ALA 8 -5.277 0.249 0.249 36 HA ALA 8 HA ALA 8 -5.875 2.828 2.828 37 1HB ALA 8 1HB ALA 8 -7.045 0.729 0.729 38 2HB ALA 8 2HB ALA 8 -7.909 0.726 0.726 39 3HB ALA 8 3HB ALA 8 -8.150 2.054 2.054 40 H GLN 9 H GLN 9 -6.358 1.359 1.359 41 HA GLN 9 HA GLN 9 -8.026 3.427 3.427 42 1HB GLN 9 1HB GLN 9 -8.110 1.073 1.073 43 2HB GLN 9 2HB GLN 9 -6.448 1.125 1.125 44 1HG GLN 9 1HG GLN 9 -7.146 2.442 2.442 45 2HG GLN 9 2HG GLN 9 -8.740 2.738 2.738 46 1HE2 GLN 9 2HE2 GLN 9 -8.533 -1.250 -1.250 47 2HE2 GLN 9 1HE2 GLN 9 -7.489 -0.507 -0.507 48 H CYS 10 H CYS 10 -4.664 3.339 3.339 49 HA CYS 10 HA CYS 10 -2.871 4.479 4.479 50 1HB CYS 10 1HB CYS 10 -3.786 6.423 6.423 51 2HB CYS 10 2HB CYS 10 -4.926 6.638 6.638 52 H SER 11 H SER 11 -2.812 2.651 2.651 53 HA SER 11 HA SER 11 -1.713 4.063 4.063 54 1HB SER 11 1HB SER 11 -3.931 3.449 3.449 55 2HB SER 11 2HB SER 11 -3.814 1.858 1.858 56 HG SER 11 HG SER 11 -3.379 2.123 2.123 57 H ILE 12 H ILE 12 0.095 3.273 3.273 58 HA ILE 12 HA ILE 12 1.396 1.285 1.285 59 HB ILE 12 HB ILE 12 2.488 2.901 2.901 60 1HG1 ILE 12 1HG1 ILE 12 1.604 4.428 4.428 61 2HG1 ILE 12 2HG1 ILE 12 3.328 4.368 4.368 62 1HG2 ILE 12 1HG2 ILE 12 3.727 1.084 1.084 63 2HG2 ILE 12 2HG2 ILE 12 4.625 2.358 2.358 64 3HG2 ILE 12 3HG2 ILE 12 3.857 1.046 1.046 65 1HD1 ILE 12 3HD1 ILE 12 2.827 2.565 2.565 66 2HD1 ILE 12 1HD1 ILE 12 1.263 3.366 3.366 67 3HD1 ILE 12 2HD1 ILE 12 2.741 4.300 4.300 68 H THR 13 H THR 13 0.003 1.759 1.759 69 HA THR 13 HA THR 13 1.039 -0.703 -0.703 70 HB THR 13 HB THR 13 -1.402 0.982 0.982 71 HG1 THR 13 1HG THR 13 0.104 2.140 2.140 72 1HG2 THR 13 1HG2 THR 13 -0.071 -1.295 -1.295 73 2HG2 THR 13 2HG2 THR 13 -1.374 -0.215 -0.215 74 3HG2 THR 13 3HG2 THR 13 -1.670 -1.352 -1.352 75 H LEU 14 H LEU 14 -2.134 0.204 0.204 76 HA LEU 14 HA LEU 14 -3.111 -2.489 -2.489 77 1HB LEU 14 1HB LEU 14 -3.826 -0.194 -0.194 78 2HB LEU 14 2HB LEU 14 -4.520 -1.772 -1.772 79 HG LEU 14 HG LEU 14 -4.545 -0.640 -0.640 80 1HD1 LEU 14 2HD1 LEU 14 -5.975 0.610 0.610 81 2HD1 LEU 14 3HD1 LEU 14 -6.857 0.428 0.428 82 3HD1 LEU 14 1HD1 LEU 14 -5.367 1.365 1.365 83 1HD2 LEU 14 2HD2 LEU 14 -5.419 -2.868 -2.868 84 2HD2 LEU 14 3HD2 LEU 14 -6.665 -1.797 -1.797 85 3HD2 LEU 14 1HD2 LEU 14 -6.567 -2.021 -2.021 86 H CYS 15 H CYS 15 -1.061 -0.802 -0.802 87 HA CYS 15 HA CYS 15 -0.770 -2.896 -2.896 88 1HB CYS 15 1HB CYS 15 1.318 -0.939 -0.939 89 2HB CYS 15 2HB CYS 15 1.656 -2.124 -2.124 90 H ASN 16 H ASN 16 1.338 -2.308 -2.308 91 HA ASN 16 HA ASN 16 2.606 -4.812 -4.812 92 1HB ASN 16 1HB ASN 16 2.105 -3.384 -3.384 93 2HB ASN 16 2HB ASN 16 3.409 -4.504 -4.504 94 1HD2 ASN 16 2HD2 ASN 16 4.711 -0.993 -0.993 95 2HD2 ASN 16 1HD2 ASN 16 3.613 -1.844 -1.844 96 H LEU 17 H LEU 17 -0.491 -4.077 -4.077 97 HA LEU 17 HA LEU 17 -0.608 -6.123 -6.123 98 1HB LEU 17 1HB LEU 17 -2.184 -4.130 -4.130 99 2HB LEU 17 2HB LEU 17 -3.072 -5.237 -5.237 100 HG LEU 17 HG LEU 17 -3.993 -4.820 -4.820 101 1HD1 LEU 17 2HD1 LEU 17 -4.487 -6.901 -6.901 102 2HD1 LEU 17 3HD1 LEU 17 -3.138 -7.712 -7.712 103 3HD1 LEU 17 1HD1 LEU 17 -4.527 -7.087 -7.087 104 1HD2 LEU 17 3HD2 LEU 17 -1.785 -4.576 -4.576 105 2HD2 LEU 17 1HD2 LEU 17 -3.004 -5.552 -5.552 106 3HD2 LEU 17 2HD2 LEU 17 -1.661 -6.353 -6.353 107 H TYR 18 H TYR 18 -1.473 -6.264 -6.264 108 HA TYR 18 HA TYR 18 -1.211 -9.230 -9.230 109 1HB TYR 18 1HB TYR 18 -3.471 -7.587 -7.587 110 2HB TYR 18 2HB TYR 18 -3.265 -9.304 -9.304 111 HD1 TYR 18 1HD TYR 18 -2.528 -10.246 -10.246 112 HD2 TYR 18 2HD TYR 18 -5.661 -7.686 -7.686 113 HE1 TYR 18 1HE TYR 18 -3.849 -10.705 -10.705 114 HE2 TYR 18 2HE TYR 18 -7.052 -8.292 -8.292 115 HH TYR 18 HH TYR 18 -5.637 -9.923 -9.923 116 H CYS 19 H CYS 19 0.230 -6.634 -6.634 117 HA CYS 19 HA CYS 19 -0.379 -7.696 -7.696 118 1HB CYS 19 1HB CYS 19 1.420 -5.521 -5.521 119 2HB CYS 19 2HB CYS 19 1.591 -6.259 -6.259 120 H GLY 20 H GLY 20 2.170 -8.521 -8.521 121 1HA GLY 20 1HA GLY 20 3.693 -10.184 -10.184 122 2HA GLY 20 2HA GLY 20 2.908 -10.781 -10.781 123 HA PRO 21 HA PRO 21 6.909 -9.086 -9.086 124 1HB PRO 21 1HB PRO 21 6.621 -9.942 -9.942 125 2HB PRO 21 2HB PRO 21 7.284 -10.934 -10.934 126 1HG PRO 21 1HG PRO 21 4.497 -10.955 -10.955 127 2HG PRO 21 2HG PRO 21 5.482 -12.350 -12.350 128 1HD PRO 21 1HD PRO 21 3.515 -11.348 -11.348 129 2HD PRO 21 2HD PRO 21 5.006 -12.024 -12.024 130 H LEU 22 H LEU 22 3.596 -8.716 -8.716 131 HA LEU 22 HA LEU 22 4.334 -6.532 -6.532 132 1HB LEU 22 1HB LEU 22 1.631 -7.230 -7.230 133 2HB LEU 22 2HB LEU 22 1.972 -6.306 -6.306 134 HG LEU 22 HG LEU 22 1.407 -8.239 -8.239 135 1HD1 LEU 22 3HD1 LEU 22 3.696 -7.796 -7.796 136 2HD1 LEU 22 1HD1 LEU 22 4.305 -9.044 -9.044 137 3HD1 LEU 22 2HD1 LEU 22 3.174 -9.478 -9.478 138 1HD2 LEU 22 2HD2 LEU 22 0.823 -9.483 -9.483 139 2HD2 LEU 22 3HD2 LEU 22 1.601 -10.486 -10.486 140 3HD2 LEU 22 1HD2 LEU 22 2.489 -10.048 -10.048 141 H ILE 23 H ILE 23 4.303 -6.647 -6.647 142 HA ILE 23 HA ILE 23 3.197 -4.177 -4.177 143 HB ILE 23 HB ILE 23 5.684 -5.720 -5.720 144 1HG1 ILE 23 1HG1 ILE 23 3.012 -5.133 -5.133 145 2HG1 ILE 23 2HG1 ILE 23 3.329 -6.587 -6.587 146 1HG2 ILE 23 3HG2 ILE 23 4.537 -3.159 -3.159 147 2HG2 ILE 23 1HG2 ILE 23 5.726 -4.205 -4.205 148 3HG2 ILE 23 2HG2 ILE 23 6.164 -3.390 -3.390 149 1HD1 ILE 23 1HD1 ILE 23 5.136 -7.234 -7.234 150 2HD1 ILE 23 2HD1 ILE 23 4.706 -5.838 -5.838 151 3HD1 ILE 23 3HD1 ILE 23 3.526 -7.123 -7.123 152 H GLU 24 H GLU 24 6.251 -4.888 -4.888 153 HA GLU 24 HA GLU 24 7.182 -2.205 -2.205 154 1HB GLU 24 1HB GLU 24 8.575 -4.286 -4.286 155 2HB GLU 24 2HB GLU 24 7.603 -4.593 -4.593 156 1HG GLU 24 1HG GLU 24 8.573 -2.602 -2.602 157 2HG GLU 24 2HG GLU 24 9.507 -2.268 -2.268 158 H ILE 25 H ILE 25 5.597 -3.808 -3.808 159 HA ILE 25 HA ILE 25 5.445 -1.452 -1.452 160 HB ILE 25 HB ILE 25 3.683 -3.934 -3.934 161 1HG1 ILE 25 1HG1 ILE 25 4.892 -4.237 -4.237 162 2HG1 ILE 25 2HG1 ILE 25 5.971 -2.926 -2.926 163 1HG2 ILE 25 3HG2 ILE 25 3.675 -1.609 -1.609 164 2HG2 ILE 25 1HG2 ILE 25 2.889 -3.179 -3.179 165 3HG2 ILE 25 2HG2 ILE 25 2.321 -2.137 -2.137 166 1HD1 ILE 25 2HD1 ILE 25 5.595 -5.331 -5.331 167 2HD1 ILE 25 3HD1 ILE 25 6.713 -5.366 -5.366 168 3HD1 ILE 25 1HD1 ILE 25 6.969 -4.188 -4.188 169 H CYS 26 H CYS 26 3.449 -2.651 -2.651 170 HA CYS 26 HA CYS 26 1.223 -0.893 -0.893 171 1HB CYS 26 1HB CYS 26 1.373 -3.039 -3.039 172 2HB CYS 26 2HB CYS 26 2.180 -2.201 -2.201 173 H GLU 27 H GLU 27 4.197 -0.806 -0.806 174 HA GLU 27 HA GLU 27 3.454 1.693 1.693 175 1HB GLU 27 1HB GLU 27 5.249 0.014 0.014 176 2HB GLU 27 2HB GLU 27 6.315 0.739 0.739 177 1HG GLU 27 1HG GLU 27 5.718 3.016 3.016 178 2HG GLU 27 2HG GLU 27 4.875 2.116 2.116 179 H LEU 28 H LEU 28 5.137 0.723 0.723 180 HA LEU 28 HA LEU 28 5.999 3.286 3.286 181 1HB LEU 28 1HB LEU 28 5.797 0.581 0.581 182 2HB LEU 28 2HB LEU 28 5.460 1.781 1.781 183 HG LEU 28 HG LEU 28 7.773 2.740 2.740 184 1HD1 LEU 28 3HD1 LEU 28 7.990 -0.184 -0.184 185 2HD1 LEU 28 1HD1 LEU 28 9.309 0.901 0.901 186 3HD1 LEU 28 2HD1 LEU 28 8.001 0.510 0.510 187 1HD2 LEU 28 2HD2 LEU 28 7.130 3.128 3.128 188 2HD2 LEU 28 3HD2 LEU 28 8.784 2.562 2.562 189 3HD2 LEU 28 1HD2 LEU 28 7.536 1.433 1.433 190 H THR 29 H THR 29 2.918 1.521 1.521 191 HA THR 29 HA THR 29 1.853 3.439 3.439 192 HB THR 29 HB THR 29 0.307 1.781 1.781 193 HG1 THR 29 1HG THR 29 0.990 0.976 0.976 194 1HG2 THR 29 3HG2 THR 29 -0.488 2.861 2.861 195 2HG2 THR 29 1HG2 THR 29 -1.475 1.774 1.774 196 3HG2 THR 29 2HG2 THR 29 -1.119 3.407 3.407 197 H VAL 30 H VAL 30 1.528 3.093 3.093 198 HA VAL 30 HA VAL 30 -0.197 5.329 5.329 199 HB VAL 30 HB VAL 30 1.561 4.093 4.093 200 1HG1 VAL 30 2HG1 VAL 30 -0.951 5.822 5.822 201 2HG1 VAL 30 3HG1 VAL 30 -0.183 5.083 5.083 202 3HG1 VAL 30 1HG1 VAL 30 0.660 6.343 6.343 203 1HG2 VAL 30 1HG2 VAL 30 -1.333 3.565 3.565 204 2HG2 VAL 30 2HG2 VAL 30 -0.002 2.418 2.418 205 3HG2 VAL 30 3HG2 VAL 30 -0.573 2.894 2.894 206 H MET 31 H MET 31 3.391 5.065 5.065 207 HA MET 31 HA MET 31 3.845 7.806 7.806 208 1HB MET 31 1HB MET 31 5.414 5.585 5.585 209 2HB MET 31 2HB MET 31 5.804 6.681 6.681 210 1HG MET 31 1HG MET 31 5.837 7.290 7.290 211 2HG MET 31 2HG MET 31 7.271 6.997 6.997 212 1HE MET 31 3HE MET 31 7.063 8.495 8.495 213 2HE MET 31 1HE MET 31 7.670 10.109 10.109 214 3HE MET 31 2HE MET 31 8.473 8.653 8.653 215 H GLN 32 H GLN 32 3.263 6.116 6.116 216 HA GLN 32 HA GLN 32 3.830 8.259 8.259 217 1HB GLN 32 1HB GLN 32 3.557 5.744 5.744 218 2HB GLN 32 2HB GLN 32 1.843 6.127 6.127 219 1HG GLN 32 1HG GLN 32 2.234 7.623 7.623 220 2HG GLN 32 2HG GLN 32 3.979 7.655 7.655 221 1HE2 GLN 32 2HE2 GLN 32 2.469 4.358 4.358 222 2HE2 GLN 32 1HE2 GLN 32 1.354 5.445 5.445 223 H ASN 33 H ASN 33 0.801 7.319 7.319 224 HA ASN 33 HA ASN 33 -0.621 9.504 9.504 225 1HB ASN 33 1HB ASN 33 -2.557 8.298 8.298 226 2HB ASN 33 2HB ASN 33 -1.292 7.120 7.120 227 1HD2 ASN 33 2HD2 ASN 33 -3.602 5.664 5.664 228 2HD2 ASN 33 1HD2 ASN 33 -3.728 6.209 6.209 229 H CYS 34 H CYS 34 0.105 8.560 8.560 230 HA CYS 34 HA CYS 34 -1.705 10.704 10.704 231 1HB CYS 34 1HB CYS 34 -2.189 8.154 8.154 232 2HB CYS 34 2HB CYS 34 -0.761 8.173 8.173 233 H GLU 35 H GLU 35 -0.804 10.968 10.968 234 HA GLU 35 HA GLU 35 2.161 11.432 11.432 235 1HB GLU 35 1HB GLU 35 0.767 13.485 13.485 236 2HB GLU 35 2HB GLU 35 0.128 12.786 12.786 237 1HG GLU 35 1HG GLU 35 1.836 14.205 14.205 238 2HG GLU 35 2HG GLU 35 2.690 12.653 12.653 239 HA PRO 36 HA PRO 36 1.450 8.181 8.181 240 1HB PRO 36 1HB PRO 36 3.418 6.404 6.404 241 2HB PRO 36 2HB PRO 36 1.770 6.445 6.445 242 1HG PRO 36 1HG PRO 36 4.337 7.704 7.704 243 2HG PRO 36 2HG PRO 36 3.212 6.667 6.667 244 1HD PRO 36 1HD PRO 36 3.164 9.414 9.414 245 2HD PRO 36 2HD PRO 36 1.659 8.457 8.457 246 HA PRO 37 HA PRO 37 2.903 6.298 6.298 247 1HB PRO 37 1HB PRO 37 3.218 6.233 6.233 248 2HB PRO 37 2HB PRO 37 4.514 5.813 5.813 249 1HG PRO 37 1HG PRO 37 4.101 8.430 8.430 250 2HG PRO 37 2HG PRO 37 5.614 7.499 7.499 251 1HD PRO 37 1HD PRO 37 4.975 9.629 9.629 252 2HD PRO 37 2HD PRO 37 5.829 8.208 8.208 253 H PHE 38 H PHE 38 0.687 5.850 5.850 254 HA PHE 38 HA PHE 38 -1.012 8.067 8.067 255 1HB PHE 38 1HB PHE 38 -1.655 6.213 6.213 256 2HB PHE 38 2HB PHE 38 -1.199 5.070 5.070 257 HD1 PHE 38 2HD PHE 38 -3.549 7.769 7.769 258 HD2 PHE 38 1HD PHE 38 -2.681 4.288 4.288 259 HE1 PHE 38 2HE PHE 38 -5.903 7.812 7.812 260 HE2 PHE 38 1HE PHE 38 -5.076 4.182 4.182 261 1HZ PHE 38 HZ PHE 38 -6.658 5.980 5.980 262 H SER 39 H SER 39 -2.490 7.805 7.805 263 HA SER 39 HA SER 39 -1.008 8.208 8.208 264 1HB SER 39 1HB SER 39 -3.485 8.104 8.104 265 2HB SER 39 2HB SER 39 -3.024 9.422 9.422 266 HG SER 39 HG SER 39 -4.012 6.943 6.943 Start of MODEL 15 1 HA ASP 1 HA ASP 1 -7.280 -8.931 -8.931 2 1HB ASP 1 1HB ASP 1 -4.855 -9.043 -9.043 3 2HB ASP 1 2HB ASP 1 -4.354 -8.219 -8.219 4 H GLU 2 H GLU 2 -6.439 -8.906 -8.906 5 HA GLU 2 HA GLU 2 -7.607 -6.684 -6.684 6 1HB GLU 2 1HB GLU 2 -5.591 -8.758 -8.758 7 2HB GLU 2 2HB GLU 2 -6.620 -7.698 -7.698 8 1HG GLU 2 1HG GLU 2 -8.636 -8.738 -8.738 9 2HG GLU 2 2HG GLU 2 -7.620 -9.875 -9.875 10 H CYS 3 H CYS 3 -4.241 -7.581 -7.581 11 HA CYS 3 HA CYS 3 -2.976 -5.479 -5.479 12 1HB CYS 3 1HB CYS 3 -1.716 -7.339 -7.339 13 2HB CYS 3 2HB CYS 3 -2.168 -6.799 -6.799 14 H ALA 4 H ALA 4 -4.129 -5.568 -5.568 15 HA ALA 4 HA ALA 4 -3.455 -2.884 -2.884 16 1HB ALA 4 3HB ALA 4 -4.042 -4.527 -4.527 17 2HB ALA 4 1HB ALA 4 -5.720 -4.595 -4.595 18 3HB ALA 4 2HB ALA 4 -5.087 -3.105 -3.105 19 H ASN 5 H ASN 5 -6.376 -4.302 -4.302 20 HA ASN 5 HA ASN 5 -7.849 -1.877 -1.877 21 1HB ASN 5 1HB ASN 5 -7.853 -4.060 -4.060 22 2HB ASN 5 2HB ASN 5 -9.021 -2.790 -2.790 23 1HD2 ASN 5 2HD2 ASN 5 -10.578 -5.831 -5.831 24 2HD2 ASN 5 1HD2 ASN 5 -10.193 -5.088 -5.088 25 H ALA 6 H ALA 6 -5.446 -3.214 -3.214 26 HA ALA 6 HA ALA 6 -5.558 -1.072 -1.072 27 1HB ALA 6 2HB ALA 6 -3.182 -2.826 -2.826 28 2HB ALA 6 3HB ALA 6 -3.264 -1.758 -1.758 29 3HB ALA 6 1HB ALA 6 -4.340 -3.164 -3.164 30 H ALA 7 H ALA 7 -3.540 -1.508 -1.508 31 HA ALA 7 HA ALA 7 -2.155 0.945 0.945 32 1HB ALA 7 2HB ALA 7 -1.667 -0.922 -0.922 33 2HB ALA 7 3HB ALA 7 -3.039 -0.335 -0.335 34 3HB ALA 7 1HB ALA 7 -1.649 0.721 0.721 35 H ALA 8 H ALA 8 -5.332 0.201 0.201 36 HA ALA 8 HA ALA 8 -5.839 2.847 2.847 37 1HB ALA 8 1HB ALA 8 -7.081 0.886 0.886 38 2HB ALA 8 2HB ALA 8 -7.802 0.669 0.669 39 3HB ALA 8 3HB ALA 8 -8.156 2.126 2.126 40 H GLN 9 H GLN 9 -6.241 1.346 1.346 41 HA GLN 9 HA GLN 9 -7.806 3.539 3.539 42 1HB GLN 9 1HB GLN 9 -7.539 1.062 1.062 43 2HB GLN 9 2HB GLN 9 -6.153 1.640 1.640 44 1HG GLN 9 1HG GLN 9 -9.043 2.678 2.678 45 2HG GLN 9 2HG GLN 9 -8.334 1.506 1.506 46 1HE2 GLN 9 2HE2 GLN 9 -6.244 4.059 4.059 47 2HE2 GLN 9 1HE2 GLN 9 -6.169 2.381 2.381 48 H CYS 10 H CYS 10 -4.427 3.173 3.173 49 HA CYS 10 HA CYS 10 -2.551 4.299 4.299 50 1HB CYS 10 1HB CYS 10 -3.460 6.331 6.331 51 2HB CYS 10 2HB CYS 10 -4.480 6.570 6.570 52 H SER 11 H SER 11 -2.695 2.511 2.511 53 HA SER 11 HA SER 11 -1.713 3.949 3.949 54 1HB SER 11 1HB SER 11 -4.006 3.430 3.430 55 2HB SER 11 2HB SER 11 -3.852 1.770 1.770 56 HG SER 11 HG SER 11 -3.498 2.192 2.192 57 H ILE 12 H ILE 12 -0.033 3.197 3.197 58 HA ILE 12 HA ILE 12 1.444 1.069 1.069 59 HB ILE 12 HB ILE 12 1.959 2.872 2.872 60 1HG1 ILE 12 1HG1 ILE 12 1.577 4.251 4.251 61 2HG1 ILE 12 2HG1 ILE 12 3.297 4.162 4.162 62 1HG2 ILE 12 2HG2 ILE 12 3.870 1.111 1.111 63 2HG2 ILE 12 3HG2 ILE 12 4.369 2.380 2.380 64 3HG2 ILE 12 1HG2 ILE 12 3.460 0.983 0.983 65 1HD1 ILE 12 1HD1 ILE 12 3.355 2.357 2.357 66 2HD1 ILE 12 2HD1 ILE 12 1.660 2.784 2.784 67 3HD1 ILE 12 3HD1 ILE 12 2.928 3.986 3.986 68 H THR 13 H THR 13 -0.346 1.586 1.586 69 HA THR 13 HA THR 13 0.589 -0.868 -0.868 70 HB THR 13 HB THR 13 -1.966 0.613 0.613 71 HG1 THR 13 1HG THR 13 0.756 1.305 1.305 72 1HG2 THR 13 2HG2 THR 13 -1.424 -1.511 -1.511 73 2HG2 THR 13 3HG2 THR 13 0.139 -0.814 -0.814 74 3HG2 THR 13 1HG2 THR 13 -1.383 -0.101 -0.101 75 H LEU 14 H LEU 14 -2.343 0.081 0.081 76 HA LEU 14 HA LEU 14 -3.405 -2.633 -2.633 77 1HB LEU 14 1HB LEU 14 -3.956 -0.366 -0.366 78 2HB LEU 14 2HB LEU 14 -4.814 -1.901 -1.901 79 HG LEU 14 HG LEU 14 -4.831 0.456 0.456 80 1HD1 LEU 14 1HD1 LEU 14 -6.331 0.344 0.344 81 2HD1 LEU 14 2HD1 LEU 14 -7.052 -1.126 -1.126 82 3HD1 LEU 14 3HD1 LEU 14 -7.217 0.415 0.415 83 1HD2 LEU 14 2HD2 LEU 14 -5.763 -2.377 -2.377 84 2HD2 LEU 14 3HD2 LEU 14 -4.614 -1.433 -1.433 85 3HD2 LEU 14 1HD2 LEU 14 -6.338 -0.970 -0.970 86 H CYS 15 H CYS 15 -1.138 -0.913 -0.913 87 HA CYS 15 HA CYS 15 -0.962 -2.910 -2.910 88 1HB CYS 15 1HB CYS 15 1.281 -1.198 -1.198 89 2HB CYS 15 2HB CYS 15 1.497 -2.322 -2.322 90 H ASN 16 H ASN 16 1.050 -2.535 -2.535 91 HA ASN 16 HA ASN 16 2.321 -5.011 -5.011 92 1HB ASN 16 1HB ASN 16 2.127 -3.490 -3.490 93 2HB ASN 16 2HB ASN 16 3.396 -4.632 -4.632 94 1HD2 ASN 16 2HD2 ASN 16 4.404 -0.966 -0.966 95 2HD2 ASN 16 1HD2 ASN 16 3.586 -1.719 -1.719 96 H LEU 17 H LEU 17 -0.860 -4.538 -4.538 97 HA LEU 17 HA LEU 17 -1.047 -6.603 -6.603 98 1HB LEU 17 1HB LEU 17 -2.510 -4.586 -4.586 99 2HB LEU 17 2HB LEU 17 -3.210 -5.380 -5.380 100 HG LEU 17 HG LEU 17 -4.576 -5.344 -5.344 101 1HD1 LEU 17 3HD1 LEU 17 -4.874 -7.110 -7.110 102 2HD1 LEU 17 1HD1 LEU 17 -3.902 -8.208 -8.208 103 3HD1 LEU 17 2HD1 LEU 17 -5.431 -7.559 -7.559 104 1HD2 LEU 17 1HD2 LEU 17 -2.774 -5.609 -5.609 105 2HD2 LEU 17 2HD2 LEU 17 -4.129 -6.726 -6.726 106 3HD2 LEU 17 3HD2 LEU 17 -2.626 -7.328 -7.328 107 H TYR 18 H TYR 18 -1.411 -6.512 -6.512 108 HA TYR 18 HA TYR 18 -1.621 -9.505 -9.505 109 1HB TYR 18 1HB TYR 18 -3.277 -7.455 -7.455 110 2HB TYR 18 2HB TYR 18 -3.261 -9.177 -9.177 111 HD1 TYR 18 1HD TYR 18 -3.352 -10.237 -10.237 112 HD2 TYR 18 2HD TYR 18 -5.646 -7.284 -7.284 113 HE1 TYR 18 1HE TYR 18 -5.319 -10.787 -10.787 114 HE2 TYR 18 2HE TYR 18 -7.662 -7.948 -7.948 115 HH TYR 18 HH TYR 18 -8.540 -9.519 -9.519 116 H CYS 19 H CYS 19 -0.022 -6.743 -6.743 117 HA CYS 19 HA CYS 19 -0.123 -7.797 -7.797 118 1HB CYS 19 1HB CYS 19 1.445 -5.585 -5.585 119 2HB CYS 19 2HB CYS 19 1.652 -6.069 -6.069 120 H GLY 20 H GLY 20 2.163 -8.435 -8.435 121 1HA GLY 20 1HA GLY 20 4.211 -9.430 -9.430 122 2HA GLY 20 2HA GLY 20 3.528 -10.507 -10.507 123 HA PRO 21 HA PRO 21 7.012 -8.802 -8.802 124 1HB PRO 21 1HB PRO 21 6.527 -9.908 -9.908 125 2HB PRO 21 2HB PRO 21 7.127 -10.869 -10.869 126 1HG PRO 21 1HG PRO 21 4.263 -10.604 -10.604 127 2HG PRO 21 2HG PRO 21 5.138 -12.101 -12.101 128 1HD PRO 21 1HD PRO 21 3.484 -10.919 -10.919 129 2HD PRO 21 2HD PRO 21 5.000 -11.685 -11.685 130 H LEU 22 H LEU 22 3.602 -8.630 -8.630 131 HA LEU 22 HA LEU 22 4.038 -6.508 -6.508 132 1HB LEU 22 1HB LEU 22 1.492 -7.324 -7.324 133 2HB LEU 22 2HB LEU 22 1.624 -6.355 -6.355 134 HG LEU 22 HG LEU 22 2.322 -9.308 -9.308 135 1HD1 LEU 22 1HD1 LEU 22 -0.088 -8.764 -8.764 136 2HD1 LEU 22 2HD1 LEU 22 0.106 -7.890 -7.890 137 3HD1 LEU 22 3HD1 LEU 22 0.383 -9.639 -9.639 138 1HD2 LEU 22 2HD2 LEU 22 2.509 -7.473 -7.473 139 2HD2 LEU 22 3HD2 LEU 22 3.857 -8.324 -8.324 140 3HD2 LEU 22 1HD2 LEU 22 2.609 -9.243 -9.243 141 H ILE 23 H ILE 23 4.352 -6.482 -6.482 142 HA ILE 23 HA ILE 23 3.143 -4.021 -4.021 143 HB ILE 23 HB ILE 23 5.737 -5.347 -5.347 144 1HG1 ILE 23 1HG1 ILE 23 3.090 -4.819 -4.819 145 2HG1 ILE 23 2HG1 ILE 23 3.442 -6.325 -6.325 146 1HG2 ILE 23 1HG2 ILE 23 4.401 -2.794 -2.794 147 2HG2 ILE 23 2HG2 ILE 23 5.649 -3.676 -3.676 148 3HG2 ILE 23 3HG2 ILE 23 6.045 -2.968 -2.968 149 1HD1 ILE 23 1HD1 ILE 23 5.354 -6.744 -6.744 150 2HD1 ILE 23 2HD1 ILE 23 4.863 -5.342 -5.342 151 3HD1 ILE 23 3HD1 ILE 23 3.785 -6.732 -6.732 152 H GLU 24 H GLU 24 6.021 -4.798 -4.798 153 HA GLU 24 HA GLU 24 6.935 -2.100 -2.100 154 1HB GLU 24 1HB GLU 24 8.304 -4.109 -4.109 155 2HB GLU 24 2HB GLU 24 7.249 -4.464 -4.464 156 1HG GLU 24 1HG GLU 24 7.883 -2.329 -2.329 157 2HG GLU 24 2HG GLU 24 8.849 -1.906 -1.906 158 H ILE 25 H ILE 25 5.046 -3.787 -3.787 159 HA ILE 25 HA ILE 25 4.653 -1.456 -1.456 160 HB ILE 25 HB ILE 25 2.966 -3.956 -3.956 161 1HG1 ILE 25 1HG1 ILE 25 3.657 -4.650 -4.650 162 2HG1 ILE 25 2HG1 ILE 25 4.628 -3.187 -3.187 163 1HG2 ILE 25 2HG2 ILE 25 2.494 -1.809 -1.809 164 2HG2 ILE 25 3HG2 ILE 25 1.748 -3.413 -3.413 165 3HG2 ILE 25 1HG2 ILE 25 1.379 -2.296 -2.296 166 1HD1 ILE 25 3HD1 ILE 25 5.121 -5.342 -5.342 167 2HD1 ILE 25 1HD1 ILE 25 5.910 -5.254 -5.254 168 3HD1 ILE 25 2HD1 ILE 25 6.212 -3.982 -3.982 169 H CYS 26 H CYS 26 3.097 -2.554 -2.554 170 HA CYS 26 HA CYS 26 0.783 -0.838 -0.838 171 1HB CYS 26 1HB CYS 26 1.036 -2.931 -2.931 172 2HB CYS 26 2HB CYS 26 2.027 -2.075 -2.075 173 H GLU 27 H GLU 27 3.959 -0.733 -0.733 174 HA GLU 27 HA GLU 27 3.517 1.800 1.800 175 1HB GLU 27 1HB GLU 27 5.331 0.049 0.049 176 2HB GLU 27 2HB GLU 27 6.189 0.644 0.644 177 1HG GLU 27 1HG GLU 27 6.087 2.958 2.958 178 2HG GLU 27 2HG GLU 27 5.384 2.217 2.217 179 H LEU 28 H LEU 28 4.923 0.748 0.748 180 HA LEU 28 HA LEU 28 5.930 3.261 3.261 181 1HB LEU 28 1HB LEU 28 5.542 0.521 0.521 182 2HB LEU 28 2HB LEU 28 5.408 1.703 1.703 183 HG LEU 28 HG LEU 28 7.650 0.775 0.775 184 1HD1 LEU 28 1HD1 LEU 28 7.350 3.108 3.108 185 2HD1 LEU 28 2HD1 LEU 28 7.669 3.744 3.744 186 3HD1 LEU 28 3HD1 LEU 28 8.930 2.844 2.844 187 1HD2 LEU 28 2HD2 LEU 28 7.694 0.384 0.384 188 2HD2 LEU 28 3HD2 LEU 28 9.109 1.297 1.297 189 3HD2 LEU 28 1HD2 LEU 28 7.796 2.128 2.128 190 H THR 29 H THR 29 2.980 1.586 1.586 191 HA THR 29 HA THR 29 1.790 3.629 3.629 192 HB THR 29 HB THR 29 0.655 1.569 1.569 193 HG1 THR 29 1HG THR 29 1.549 0.726 0.726 194 1HG2 THR 29 1HG2 THR 29 -0.878 3.577 3.577 195 2HG2 THR 29 2HG2 THR 29 -1.581 2.047 2.047 196 3HG2 THR 29 3HG2 THR 29 -1.017 3.249 3.249 197 H VAL 30 H VAL 30 1.544 3.071 3.071 198 HA VAL 30 HA VAL 30 -0.181 5.267 5.267 199 HB VAL 30 HB VAL 30 1.694 3.578 3.578 200 1HG1 VAL 30 3HG1 VAL 30 1.235 5.818 5.818 201 2HG1 VAL 30 1HG1 VAL 30 -0.474 5.294 5.294 202 3HG1 VAL 30 2HG1 VAL 30 0.743 4.350 4.350 203 1HG2 VAL 30 1HG2 VAL 30 -0.331 2.482 2.482 204 2HG2 VAL 30 2HG2 VAL 30 -0.498 2.565 2.565 205 3HG2 VAL 30 3HG2 VAL 30 -1.333 3.719 3.719 206 H MET 31 H MET 31 3.398 5.076 5.076 207 HA MET 31 HA MET 31 3.888 7.774 7.774 208 1HB MET 31 1HB MET 31 5.358 5.499 5.499 209 2HB MET 31 2HB MET 31 5.803 6.547 6.547 210 1HG MET 31 1HG MET 31 6.434 8.296 8.296 211 2HG MET 31 2HG MET 31 5.959 7.253 7.253 212 1HE MET 31 3HE MET 31 7.206 5.126 5.126 213 2HE MET 31 1HE MET 31 7.093 4.358 4.358 214 3HE MET 31 2HE MET 31 8.651 4.457 4.457 215 H GLN 32 H GLN 32 3.243 6.214 6.214 216 HA GLN 32 HA GLN 32 3.974 8.432 8.432 217 1HB GLN 32 1HB GLN 32 3.415 5.793 5.793 218 2HB GLN 32 2HB GLN 32 1.924 6.559 6.559 219 1HG GLN 32 1HG GLN 32 3.205 6.620 6.620 220 2HG GLN 32 2HG GLN 32 3.572 8.217 8.217 221 1HE2 GLN 32 2HE2 GLN 32 6.964 7.039 7.039 222 2HE2 GLN 32 1HE2 GLN 32 5.737 8.131 8.131 223 H ASN 33 H ASN 33 0.865 7.427 7.427 224 HA ASN 33 HA ASN 33 -0.467 9.807 9.807 225 1HB ASN 33 1HB ASN 33 -2.344 8.667 8.667 226 2HB ASN 33 2HB ASN 33 -2.261 8.554 8.554 227 1HD2 ASN 33 2HD2 ASN 33 -1.982 5.222 5.222 228 2HD2 ASN 33 1HD2 ASN 33 -2.153 6.742 6.742 229 H CYS 34 H CYS 34 -0.266 8.417 8.417 230 HA CYS 34 HA CYS 34 -0.930 11.103 11.103 231 1HB CYS 34 1HB CYS 34 -1.827 9.988 9.988 232 2HB CYS 34 2HB CYS 34 -2.439 9.076 9.076 233 H GLU 35 H GLU 35 0.112 11.130 11.130 234 HA GLU 35 HA GLU 35 3.020 10.566 10.566 235 1HB GLU 35 1HB GLU 35 1.827 12.957 12.957 236 2HB GLU 35 2HB GLU 35 2.130 12.735 12.735 237 1HG GLU 35 1HG GLU 35 4.232 12.359 12.359 238 2HG GLU 35 2HG GLU 35 3.932 13.896 13.896 239 HA PRO 36 HA PRO 36 1.674 8.037 8.037 240 1HB PRO 36 1HB PRO 36 3.513 6.015 6.015 241 2HB PRO 36 2HB PRO 36 1.997 6.138 6.138 242 1HG PRO 36 1HG PRO 36 4.814 6.969 6.969 243 2HG PRO 36 2HG PRO 36 3.665 6.018 6.018 244 1HD PRO 36 1HD PRO 36 4.046 8.717 8.717 245 2HD PRO 36 2HD PRO 36 2.444 7.972 7.972 246 HA PRO 37 HA PRO 37 2.756 6.198 6.198 247 1HB PRO 37 1HB PRO 37 2.668 6.530 6.530 248 2HB PRO 37 2HB PRO 37 4.108 5.894 5.894 249 1HG PRO 37 1HG PRO 37 3.562 8.753 8.753 250 2HG PRO 37 2HG PRO 37 5.046 7.800 7.800 251 1HD PRO 37 1HD PRO 37 4.864 9.571 9.571 252 2HD PRO 37 2HD PRO 37 5.709 8.022 8.022 253 H PHE 38 H PHE 38 0.498 5.940 5.940 254 HA PHE 38 HA PHE 38 -1.142 8.153 8.153 255 1HB PHE 38 1HB PHE 38 -1.668 6.007 6.007 256 2HB PHE 38 2HB PHE 38 -1.384 5.325 5.325 257 HD1 PHE 38 1HD PHE 38 -3.621 7.630 7.630 258 HD2 PHE 38 2HD PHE 38 -3.168 4.626 4.626 259 HE1 PHE 38 1HE PHE 38 -6.113 7.629 7.629 260 HE2 PHE 38 2HE PHE 38 -5.644 4.618 4.618 261 1HZ PHE 38 HZ PHE 38 -7.111 6.105 6.105 262 H SER 39 H SER 39 -2.758 9.102 9.102 263 HA SER 39 HA SER 39 -2.038 9.535 9.535 264 1HB SER 39 1HB SER 39 -4.386 10.529 10.529 265 2HB SER 39 2HB SER 39 -3.839 11.151 11.151 266 HG SER 39 HG SER 39 -3.112 12.050 12.050 Start of MODEL 16 1 HA ASP 1 HA ASP 1 -8.489 -9.349 -9.349 2 1HB ASP 1 1HB ASP 1 -5.768 -9.927 -9.927 3 2HB ASP 1 2HB ASP 1 -5.679 -9.349 -9.349 4 H GLU 2 H GLU 2 -7.494 -8.609 -8.609 5 HA GLU 2 HA GLU 2 -8.076 -5.838 -5.838 6 1HB GLU 2 1HB GLU 2 -6.761 -7.588 -7.588 7 2HB GLU 2 2HB GLU 2 -7.500 -5.991 -5.991 8 1HG GLU 2 1HG GLU 2 -9.305 -7.227 -7.227 9 2HG GLU 2 2HG GLU 2 -9.609 -7.256 -7.256 10 H CYS 3 H CYS 3 -5.042 -7.452 -7.452 11 HA CYS 3 HA CYS 3 -3.222 -5.372 -5.372 12 1HB CYS 3 1HB CYS 3 -2.374 -7.512 -7.512 13 2HB CYS 3 2HB CYS 3 -3.188 -7.345 -7.345 14 H ALA 4 H ALA 4 -5.191 -5.839 -5.839 15 HA ALA 4 HA ALA 4 -4.186 -3.522 -3.522 16 1HB ALA 4 3HB ALA 4 -6.877 -4.942 -4.942 17 2HB ALA 4 1HB ALA 4 -6.248 -3.723 -3.723 18 3HB ALA 4 2HB ALA 4 -5.407 -5.267 -5.267 19 H ASN 5 H ASN 5 -7.034 -4.107 -4.107 20 HA ASN 5 HA ASN 5 -8.169 -1.519 -1.519 21 1HB ASN 5 1HB ASN 5 -9.305 -3.459 -3.459 22 2HB ASN 5 2HB ASN 5 -8.023 -3.659 -3.659 23 1HD2 ASN 5 2HD2 ASN 5 -10.878 -2.113 -2.113 24 2HD2 ASN 5 1HD2 ASN 5 -10.869 -3.442 -3.442 25 H ALA 6 H ALA 6 -5.585 -2.887 -2.887 26 HA ALA 6 HA ALA 6 -5.323 -0.648 -0.648 27 1HB ALA 6 1HB ALA 6 -4.159 -2.900 -2.900 28 2HB ALA 6 2HB ALA 6 -3.034 -2.438 -2.438 29 3HB ALA 6 3HB ALA 6 -3.108 -1.463 -1.463 30 H ALA 7 H ALA 7 -3.708 -1.283 -1.283 31 HA ALA 7 HA ALA 7 -2.225 1.180 1.180 32 1HB ALA 7 1HB ALA 7 -1.665 -0.690 -0.690 33 2HB ALA 7 2HB ALA 7 -3.198 -0.437 -0.437 34 3HB ALA 7 3HB ALA 7 -1.953 0.826 0.826 35 H ALA 8 H ALA 8 -5.505 0.300 0.300 36 HA ALA 8 HA ALA 8 -6.040 2.802 2.802 37 1HB ALA 8 1HB ALA 8 -7.381 0.756 0.756 38 2HB ALA 8 2HB ALA 8 -8.037 0.879 0.879 39 3HB ALA 8 3HB ALA 8 -8.388 2.141 2.141 40 H GLN 9 H GLN 9 -6.457 1.689 1.689 41 HA GLN 9 HA GLN 9 -7.568 4.228 4.228 42 1HB GLN 9 1HB GLN 9 -8.072 1.786 1.786 43 2HB GLN 9 2HB GLN 9 -6.526 1.901 1.901 44 1HG GLN 9 1HG GLN 9 -7.462 3.984 3.984 45 2HG GLN 9 2HG GLN 9 -8.989 3.693 3.693 46 1HE2 GLN 9 2HE2 GLN 9 -8.327 1.842 1.842 47 2HE2 GLN 9 1HE2 GLN 9 -7.440 3.236 3.236 48 H CYS 10 H CYS 10 -4.588 3.296 3.296 49 HA CYS 10 HA CYS 10 -2.493 3.597 3.597 50 1HB CYS 10 1HB CYS 10 -2.015 6.214 6.214 51 2HB CYS 10 2HB CYS 10 -2.520 5.592 5.592 52 H SER 11 H SER 11 -3.253 2.262 2.262 53 HA SER 11 HA SER 11 -2.044 3.613 3.613 54 1HB SER 11 1HB SER 11 -4.467 3.031 3.031 55 2HB SER 11 2HB SER 11 -4.109 1.372 1.372 56 HG SER 11 HG SER 11 -3.913 2.437 2.437 57 H ILE 12 H ILE 12 -0.178 3.031 3.031 58 HA ILE 12 HA ILE 12 1.171 0.776 0.776 59 HB ILE 12 HB ILE 12 1.875 2.543 2.543 60 1HG1 ILE 12 1HG1 ILE 12 1.454 3.954 3.954 61 2HG1 ILE 12 2HG1 ILE 12 3.167 3.778 3.778 62 1HG2 ILE 12 3HG2 ILE 12 3.623 0.744 0.744 63 2HG2 ILE 12 1HG2 ILE 12 4.202 1.931 1.931 64 3HG2 ILE 12 2HG2 ILE 12 3.251 0.545 0.545 65 1HD1 ILE 12 3HD1 ILE 12 3.059 1.937 1.937 66 2HD1 ILE 12 1HD1 ILE 12 1.431 2.555 2.555 67 3HD1 ILE 12 2HD1 ILE 12 2.832 3.612 3.612 68 H THR 13 H THR 13 -0.744 1.351 1.351 69 HA THR 13 HA THR 13 0.308 -0.954 -0.954 70 HB THR 13 HB THR 13 -2.394 0.381 0.381 71 HG1 THR 13 1HG THR 13 0.236 1.220 1.220 72 1HG2 THR 13 1HG2 THR 13 -1.649 -1.694 -1.694 73 2HG2 THR 13 2HG2 THR 13 -0.382 -0.670 -0.670 74 3HG2 THR 13 3HG2 THR 13 -2.092 -0.261 -0.261 75 H LEU 14 H LEU 14 -2.660 -0.311 -0.311 76 HA LEU 14 HA LEU 14 -3.471 -3.067 -3.067 77 1HB LEU 14 1HB LEU 14 -4.243 -0.802 -0.802 78 2HB LEU 14 2HB LEU 14 -4.835 -2.419 -2.419 79 HG LEU 14 HG LEU 14 -5.072 -1.009 -1.009 80 1HD1 LEU 14 3HD1 LEU 14 -6.834 -0.754 -0.754 81 2HD1 LEU 14 1HD1 LEU 14 -7.360 -0.341 -0.341 82 3HD1 LEU 14 2HD1 LEU 14 -6.028 0.558 0.558 83 1HD2 LEU 14 2HD2 LEU 14 -5.530 -3.459 -3.459 84 2HD2 LEU 14 3HD2 LEU 14 -6.976 -2.504 -2.504 85 3HD2 LEU 14 1HD2 LEU 14 -6.705 -3.031 -3.031 86 H CYS 15 H CYS 15 -1.319 -1.228 -1.228 87 HA CYS 15 HA CYS 15 -0.926 -3.156 -3.156 88 1HB CYS 15 1HB CYS 15 1.146 -1.315 -1.315 89 2HB CYS 15 2HB CYS 15 1.468 -2.347 -2.347 90 H ASN 16 H ASN 16 0.889 -2.662 -2.662 91 HA ASN 16 HA ASN 16 2.311 -5.110 -5.110 92 1HB ASN 16 1HB ASN 16 1.819 -3.648 -3.648 93 2HB ASN 16 2HB ASN 16 3.190 -4.719 -4.719 94 1HD2 ASN 16 2HD2 ASN 16 4.333 -1.187 -1.187 95 2HD2 ASN 16 1HD2 ASN 16 3.600 -2.333 -2.333 96 H LEU 17 H LEU 17 -0.867 -4.521 -4.521 97 HA LEU 17 HA LEU 17 -0.939 -6.925 -6.925 98 1HB LEU 17 1HB LEU 17 -2.615 -4.982 -4.982 99 2HB LEU 17 2HB LEU 17 -3.282 -5.752 -5.752 100 HG LEU 17 HG LEU 17 -4.550 -6.251 -6.251 101 1HD1 LEU 17 2HD1 LEU 17 -4.070 -8.138 -8.138 102 2HD1 LEU 17 3HD1 LEU 17 -3.114 -8.884 -8.884 103 3HD1 LEU 17 1HD1 LEU 17 -4.834 -8.576 -8.576 104 1HD2 LEU 17 2HD2 LEU 17 -2.749 -5.974 -5.974 105 2HD2 LEU 17 3HD2 LEU 17 -3.739 -7.423 -7.423 106 3HD2 LEU 17 1HD2 LEU 17 -2.122 -7.583 -7.583 107 H TYR 18 H TYR 18 -1.676 -6.250 -6.250 108 HA TYR 18 HA TYR 18 -2.196 -9.168 -9.168 109 1HB TYR 18 1HB TYR 18 -3.087 -6.713 -6.713 110 2HB TYR 18 2HB TYR 18 -3.500 -8.373 -8.373 111 HD1 TYR 18 1HD TYR 18 -4.742 -9.832 -9.832 112 HD2 TYR 18 2HD TYR 18 -4.496 -5.531 -5.531 113 HE1 TYR 18 1HE TYR 18 -6.656 -9.812 -9.812 114 HE2 TYR 18 2HE TYR 18 -6.411 -5.519 -5.519 115 HH TYR 18 HH TYR 18 -7.955 -6.764 -6.764 116 H CYS 19 H CYS 19 0.185 -6.772 -6.772 117 HA CYS 19 HA CYS 19 0.008 -7.938 -7.938 118 1HB CYS 19 1HB CYS 19 1.557 -5.610 -5.610 119 2HB CYS 19 2HB CYS 19 1.604 -6.166 -6.166 120 H GLY 20 H GLY 20 1.870 -9.025 -9.025 121 1HA GLY 20 1HA GLY 20 3.805 -10.228 -10.228 122 2HA GLY 20 2HA GLY 20 3.321 -10.835 -10.835 123 HA PRO 21 HA PRO 21 7.249 -8.672 -8.672 124 1HB PRO 21 1HB PRO 21 7.402 -9.310 -9.310 125 2HB PRO 21 2HB PRO 21 7.691 -10.526 -10.526 126 1HG PRO 21 1HG PRO 21 5.132 -10.045 -10.045 127 2HG PRO 21 2HG PRO 21 5.939 -11.590 -11.590 128 1HD PRO 21 1HD PRO 21 3.865 -10.773 -10.773 129 2HD PRO 21 2HD PRO 21 5.241 -11.661 -11.661 130 H LEU 22 H LEU 22 4.147 -8.448 -8.448 131 HA LEU 22 HA LEU 22 4.850 -6.142 -6.142 132 1HB LEU 22 1HB LEU 22 2.064 -7.148 -7.148 133 2HB LEU 22 2HB LEU 22 2.517 -6.066 -6.066 134 HG LEU 22 HG LEU 22 3.176 -9.028 -9.028 135 1HD1 LEU 22 3HD1 LEU 22 0.885 -8.461 -8.461 136 2HD1 LEU 22 1HD1 LEU 22 1.527 -7.436 -7.436 137 3HD1 LEU 22 2HD1 LEU 22 1.805 -9.187 -9.187 138 1HD2 LEU 22 3HD2 LEU 22 4.089 -7.034 -7.034 139 2HD2 LEU 22 1HD2 LEU 22 5.135 -7.938 -7.938 140 3HD2 LEU 22 2HD2 LEU 22 4.228 -8.801 -8.801 141 H ILE 23 H ILE 23 4.384 -6.353 -6.353 142 HA ILE 23 HA ILE 23 3.224 -3.892 -3.892 143 HB ILE 23 HB ILE 23 5.751 -5.318 -5.318 144 1HG1 ILE 23 1HG1 ILE 23 3.017 -4.950 -4.950 145 2HG1 ILE 23 2HG1 ILE 23 3.546 -6.405 -6.405 146 1HG2 ILE 23 1HG2 ILE 23 4.462 -2.761 -2.761 147 2HG2 ILE 23 2HG2 ILE 23 5.596 -3.730 -3.730 148 3HG2 ILE 23 3HG2 ILE 23 6.142 -2.979 -2.979 149 1HD1 ILE 23 1HD1 ILE 23 5.480 -6.558 -6.558 150 2HD1 ILE 23 2HD1 ILE 23 4.615 -5.374 -5.374 151 3HD1 ILE 23 3HD1 ILE 23 3.858 -6.930 -6.930 152 H GLU 24 H GLU 24 6.248 -4.649 -4.649 153 HA GLU 24 HA GLU 24 7.252 -1.944 -1.944 154 1HB GLU 24 1HB GLU 24 8.681 -3.960 -3.960 155 2HB GLU 24 2HB GLU 24 7.707 -4.347 -4.347 156 1HG GLU 24 1HG GLU 24 8.523 -2.253 -2.253 157 2HG GLU 24 2HG GLU 24 9.437 -1.883 -1.883 158 H ILE 25 H ILE 25 5.758 -3.694 -3.694 159 HA ILE 25 HA ILE 25 5.445 -1.358 -1.358 160 HB ILE 25 HB ILE 25 3.795 -3.911 -3.911 161 1HG1 ILE 25 1HG1 ILE 25 6.077 -4.397 -4.397 162 2HG1 ILE 25 2HG1 ILE 25 5.051 -4.518 -4.518 163 1HG2 ILE 25 3HG2 ILE 25 3.673 -1.653 -1.653 164 2HG2 ILE 25 1HG2 ILE 25 3.043 -3.288 -3.288 165 3HG2 ILE 25 2HG2 ILE 25 2.366 -2.304 -2.304 166 1HD1 ILE 25 3HD1 ILE 25 5.830 -2.190 -2.190 167 2HD1 ILE 25 1HD1 ILE 25 6.988 -2.254 -2.254 168 3HD1 ILE 25 2HD1 ILE 25 7.106 -3.411 -3.411 169 H CYS 26 H CYS 26 3.594 -2.471 -2.471 170 HA CYS 26 HA CYS 26 1.291 -0.836 -0.836 171 1HB CYS 26 1HB CYS 26 1.485 -2.886 -2.886 172 2HB CYS 26 2HB CYS 26 2.246 -1.890 -1.890 173 H GLU 27 H GLU 27 4.266 -0.558 -0.558 174 HA GLU 27 HA GLU 27 3.593 1.999 1.999 175 1HB GLU 27 1HB GLU 27 5.440 0.333 0.333 176 2HB GLU 27 2HB GLU 27 6.436 1.040 1.040 177 1HG GLU 27 1HG GLU 27 5.677 3.334 3.334 178 2HG GLU 27 2HG GLU 27 5.212 2.346 2.346 179 H LEU 28 H LEU 28 5.313 0.892 0.892 180 HA LEU 28 HA LEU 28 6.331 3.402 3.402 181 1HB LEU 28 1HB LEU 28 5.909 0.631 0.631 182 2HB LEU 28 2HB LEU 28 5.959 1.813 1.813 183 HG LEU 28 HG LEU 28 8.116 0.728 0.728 184 1HD1 LEU 28 2HD1 LEU 28 8.003 3.073 3.073 185 2HD1 LEU 28 3HD1 LEU 28 8.275 3.645 3.645 186 3HD1 LEU 28 1HD1 LEU 28 9.509 2.674 2.674 187 1HD2 LEU 28 1HD2 LEU 28 8.080 2.027 2.027 188 2HD2 LEU 28 2HD2 LEU 28 8.076 0.293 0.293 189 3HD2 LEU 28 3HD2 LEU 28 9.483 1.271 1.271 190 H THR 29 H THR 29 3.435 1.605 1.605 191 HA THR 29 HA THR 29 2.410 3.547 3.547 192 HB THR 29 HB THR 29 0.975 1.458 1.458 193 HG1 THR 29 1HG THR 29 2.456 0.476 0.476 194 1HG2 THR 29 2HG2 THR 29 0.135 2.854 2.854 195 2HG2 THR 29 3HG2 THR 29 -0.723 1.511 1.511 196 3HG2 THR 29 1HG2 THR 29 -0.622 3.075 3.075 197 H VAL 30 H VAL 30 2.026 3.102 3.102 198 HA VAL 30 HA VAL 30 0.075 5.175 5.175 199 HB VAL 30 HB VAL 30 1.886 3.654 3.654 200 1HG1 VAL 30 2HG1 VAL 30 -0.092 5.870 5.870 201 2HG1 VAL 30 3HG1 VAL 30 0.370 4.684 4.684 202 3HG1 VAL 30 1HG1 VAL 30 1.580 5.765 5.765 203 1HG2 VAL 30 3HG2 VAL 30 -1.078 3.693 3.693 204 2HG2 VAL 30 1HG2 VAL 30 0.007 2.396 2.396 205 3HG2 VAL 30 2HG2 VAL 30 -0.365 2.701 2.701 206 H MET 31 H MET 31 3.683 5.195 5.195 207 HA MET 31 HA MET 31 3.996 7.873 7.873 208 1HB MET 31 1HB MET 31 5.624 5.748 5.748 209 2HB MET 31 2HB MET 31 5.778 6.700 6.700 210 1HG MET 31 1HG MET 31 7.523 7.281 7.281 211 2HG MET 31 2HG MET 31 6.428 8.665 8.665 212 1HE MET 31 2HE MET 31 7.594 5.770 5.770 213 2HE MET 31 3HE MET 31 6.779 6.113 6.113 214 3HE MET 31 1HE MET 31 5.835 5.535 5.535 215 H GLN 32 H GLN 32 3.286 6.289 6.289 216 HA GLN 32 HA GLN 32 3.476 8.657 8.657 217 1HB GLN 32 1HB GLN 32 3.435 5.829 5.829 218 2HB GLN 32 2HB GLN 32 2.019 6.403 6.403 219 1HG GLN 32 1HG GLN 32 3.840 6.378 6.378 220 2HG GLN 32 2HG GLN 32 3.561 8.086 8.086 221 1HE2 GLN 32 2HE2 GLN 32 6.783 8.541 8.541 222 2HE2 GLN 32 1HE2 GLN 32 5.224 9.263 9.263 223 H ASN 33 H ASN 33 0.990 7.921 7.921 224 HA ASN 33 HA ASN 33 -0.732 9.741 9.741 225 1HB ASN 33 1HB ASN 33 -2.537 8.437 8.437 226 2HB ASN 33 2HB ASN 33 -1.252 7.262 7.262 227 1HD2 ASN 33 2HD2 ASN 33 -2.216 5.188 5.188 228 2HD2 ASN 33 1HD2 ASN 33 -0.827 5.677 5.677 229 H CYS 34 H CYS 34 0.355 8.825 8.825 230 HA CYS 34 HA CYS 34 -1.471 10.781 10.781 231 1HB CYS 34 1HB CYS 34 -1.142 7.901 7.901 232 2HB CYS 34 2HB CYS 34 -1.913 9.139 9.139 233 H GLU 35 H GLU 35 -0.643 10.951 10.951 234 HA GLU 35 HA GLU 35 2.336 10.698 10.698 235 1HB GLU 35 1HB GLU 35 1.431 12.872 12.872 236 2HB GLU 35 2HB GLU 35 0.319 12.043 12.043 237 1HG GLU 35 1HG GLU 35 2.247 11.145 11.145 238 2HG GLU 35 2HG GLU 35 3.342 12.044 12.044 239 HA PRO 36 HA PRO 36 1.287 7.370 7.370 240 1HB PRO 36 1HB PRO 36 3.331 5.689 5.689 241 2HB PRO 36 2HB PRO 36 1.892 5.760 5.760 242 1HG PRO 36 1HG PRO 36 4.639 7.056 7.056 243 2HG PRO 36 2HG PRO 36 3.747 6.152 6.152 244 1HD PRO 36 1HD PRO 36 3.761 8.940 8.940 245 2HD PRO 36 2HD PRO 36 2.436 8.033 8.033 246 HA PRO 37 HA PRO 37 2.524 5.600 5.600 247 1HB PRO 37 1HB PRO 37 2.697 5.658 5.658 248 2HB PRO 37 2HB PRO 37 4.022 5.104 5.104 249 1HG PRO 37 1HG PRO 37 3.684 7.848 7.848 250 2HG PRO 37 2HG PRO 37 5.161 6.833 6.833 251 1HD PRO 37 1HD PRO 37 4.796 8.826 8.826 252 2HD PRO 37 2HD PRO 37 5.508 7.278 7.278 253 H PHE 38 H PHE 38 0.279 5.415 5.415 254 HA PHE 38 HA PHE 38 -1.373 7.668 7.668 255 1HB PHE 38 1HB PHE 38 -1.764 5.648 5.648 256 2HB PHE 38 2HB PHE 38 -1.586 4.667 4.667 257 HD1 PHE 38 1HD PHE 38 -3.250 4.599 4.599 258 HD2 PHE 38 2HD PHE 38 -3.842 6.272 6.272 259 HE1 PHE 38 1HE PHE 38 -5.745 4.316 4.316 260 HE2 PHE 38 2HE PHE 38 -6.315 6.051 6.051 261 1HZ PHE 38 HZ PHE 38 -7.273 5.170 5.170 262 H SER 39 H SER 39 -1.985 8.833 8.833 263 HA SER 39 HA SER 39 -1.135 8.037 8.037 264 1HB SER 39 1HB SER 39 -3.201 10.097 10.097 265 2HB SER 39 2HB SER 39 -1.559 10.202 10.202 266 HG SER 39 HG SER 39 -0.828 10.541 10.541 Start of MODEL 17 1 HA ASP 1 HA ASP 1 -8.248 -9.831 -9.831 2 1HB ASP 1 1HB ASP 1 -5.876 -9.066 -9.066 3 2HB ASP 1 2HB ASP 1 -5.642 -8.613 -8.613 4 H GLU 2 H GLU 2 -6.801 -8.744 -8.744 5 HA GLU 2 HA GLU 2 -8.226 -6.279 -6.279 6 1HB GLU 2 1HB GLU 2 -8.035 -8.391 -8.391 7 2HB GLU 2 2HB GLU 2 -6.517 -7.648 -7.648 8 1HG GLU 2 1HG GLU 2 -8.644 -5.641 -5.641 9 2HG GLU 2 2HG GLU 2 -9.119 -6.984 -6.984 10 H CYS 3 H CYS 3 -4.952 -7.559 -7.559 11 HA CYS 3 HA CYS 3 -3.497 -5.488 -5.488 12 1HB CYS 3 1HB CYS 3 -2.384 -7.462 -7.462 13 2HB CYS 3 2HB CYS 3 -2.962 -7.351 -7.351 14 H ALA 4 H ALA 4 -4.542 -5.973 -5.973 15 HA ALA 4 HA ALA 4 -3.679 -3.587 -3.587 16 1HB ALA 4 1HB ALA 4 -4.814 -5.664 -5.664 17 2HB ALA 4 2HB ALA 4 -6.337 -4.794 -4.794 18 3HB ALA 4 3HB ALA 4 -5.084 -4.061 -4.061 19 H ASN 5 H ASN 5 -6.709 -4.319 -4.319 20 HA ASN 5 HA ASN 5 -7.823 -1.793 -1.793 21 1HB ASN 5 1HB ASN 5 -9.282 -3.561 -3.561 22 2HB ASN 5 2HB ASN 5 -8.224 -4.004 -4.004 23 1HD2 ASN 5 2HD2 ASN 5 -9.670 -1.926 -1.926 24 2HD2 ASN 5 1HD2 ASN 5 -8.602 -3.235 -3.235 25 H ALA 6 H ALA 6 -5.534 -3.228 -3.228 26 HA ALA 6 HA ALA 6 -5.677 -1.300 -1.300 27 1HB ALA 6 1HB ALA 6 -4.296 -3.651 -3.651 28 2HB ALA 6 2HB ALA 6 -3.006 -2.429 -2.429 29 3HB ALA 6 3HB ALA 6 -4.053 -2.577 -2.577 30 H ALA 7 H ALA 7 -3.559 -1.535 -1.535 31 HA ALA 7 HA ALA 7 -2.144 0.822 0.822 32 1HB ALA 7 3HB ALA 7 -2.328 -1.210 -1.210 33 2HB ALA 7 1HB ALA 7 -2.478 0.358 0.358 34 3HB ALA 7 2HB ALA 7 -1.063 0.026 0.026 35 H ALA 8 H ALA 8 -5.308 0.164 0.164 36 HA ALA 8 HA ALA 8 -5.642 2.731 2.731 37 1HB ALA 8 1HB ALA 8 -6.986 0.282 0.282 38 2HB ALA 8 2HB ALA 8 -8.106 1.388 1.388 39 3HB ALA 8 3HB ALA 8 -7.521 1.774 1.774 40 H GLN 9 H GLN 9 -6.033 1.371 1.371 41 HA GLN 9 HA GLN 9 -7.638 3.508 3.508 42 1HB GLN 9 1HB GLN 9 -7.675 1.281 1.281 43 2HB GLN 9 2HB GLN 9 -5.988 1.435 1.435 44 1HG GLN 9 1HG GLN 9 -6.496 2.639 2.639 45 2HG GLN 9 2HG GLN 9 -7.462 3.773 3.773 46 1HE2 GLN 9 2HE2 GLN 9 -9.335 0.304 0.304 47 2HE2 GLN 9 1HE2 GLN 9 -7.722 0.283 0.283 48 H CYS 10 H CYS 10 -4.347 3.244 3.244 49 HA CYS 10 HA CYS 10 -2.633 4.603 4.603 50 1HB CYS 10 1HB CYS 10 -3.947 6.469 6.469 51 2HB CYS 10 2HB CYS 10 -4.751 6.470 6.470 52 H SER 11 H SER 11 -2.420 2.633 2.633 53 HA SER 11 HA SER 11 -1.288 3.973 3.973 54 1HB SER 11 1HB SER 11 -3.774 3.159 3.159 55 2HB SER 11 2HB SER 11 -3.413 1.542 1.542 56 HG SER 11 HG SER 11 -3.228 1.973 1.973 57 H ILE 12 H ILE 12 0.039 2.466 2.466 58 HA ILE 12 HA ILE 12 1.301 0.578 0.578 59 HB ILE 12 HB ILE 12 2.334 2.417 2.417 60 1HG1 ILE 12 1HG1 ILE 12 3.598 3.346 3.346 61 2HG1 ILE 12 2HG1 ILE 12 3.515 1.972 1.972 62 1HG2 ILE 12 3HG2 ILE 12 3.195 0.165 0.165 63 2HG2 ILE 12 1HG2 ILE 12 3.864 0.036 0.036 64 3HG2 ILE 12 2HG2 ILE 12 4.472 1.285 1.285 65 1HD1 ILE 12 1HD1 ILE 12 1.162 3.558 3.558 66 2HD1 ILE 12 2HD1 ILE 12 2.210 3.573 3.573 67 3HD1 ILE 12 3HD1 ILE 12 1.322 2.109 2.109 68 H THR 13 H THR 13 -0.205 1.009 1.009 69 HA THR 13 HA THR 13 0.706 -1.514 -1.514 70 HB THR 13 HB THR 13 -1.497 0.476 0.476 71 HG1 THR 13 1HG THR 13 0.440 1.404 1.404 72 1HG2 THR 13 1HG2 THR 13 -1.872 -1.840 -1.840 73 2HG2 THR 13 2HG2 THR 13 -0.235 -1.787 -1.787 74 3HG2 THR 13 3HG2 THR 13 -1.443 -0.631 -0.631 75 H LEU 14 H LEU 14 -2.174 -0.346 -0.346 76 HA LEU 14 HA LEU 14 -3.567 -2.845 -2.845 77 1HB LEU 14 1HB LEU 14 -3.941 -0.445 -0.445 78 2HB LEU 14 2HB LEU 14 -4.998 -1.832 -1.832 79 HG LEU 14 HG LEU 14 -4.927 0.458 0.458 80 1HD1 LEU 14 1HD1 LEU 14 -6.808 -1.091 -1.091 81 2HD1 LEU 14 2HD1 LEU 14 -7.135 -1.390 -1.390 82 3HD1 LEU 14 3HD1 LEU 14 -7.124 0.274 0.274 83 1HD2 LEU 14 3HD2 LEU 14 -3.761 -1.051 -1.051 84 2HD2 LEU 14 1HD2 LEU 14 -5.411 -0.728 -0.728 85 3HD2 LEU 14 2HD2 LEU 14 -5.031 -2.276 -2.276 86 H CYS 15 H CYS 15 -1.035 -1.602 -1.602 87 HA CYS 15 HA CYS 15 -1.517 -3.373 -3.373 88 1HB CYS 15 1HB CYS 15 0.811 -1.700 -1.700 89 2HB CYS 15 2HB CYS 15 1.018 -2.879 -2.879 90 H ASN 16 H ASN 16 1.219 -3.345 -3.345 91 HA ASN 16 HA ASN 16 2.057 -5.870 -5.870 92 1HB ASN 16 1HB ASN 16 3.088 -5.770 -5.770 93 2HB ASN 16 2HB ASN 16 3.281 -4.251 -4.251 94 1HD2 ASN 16 2HD2 ASN 16 2.184 -2.620 -2.620 95 2HD2 ASN 16 1HD2 ASN 16 3.454 -2.945 -2.945 96 H LEU 17 H LEU 17 -0.890 -4.764 -4.764 97 HA LEU 17 HA LEU 17 -1.403 -6.671 -6.671 98 1HB LEU 17 1HB LEU 17 -2.667 -4.542 -4.542 99 2HB LEU 17 2HB LEU 17 -3.507 -5.531 -5.531 100 HG LEU 17 HG LEU 17 -4.861 -5.338 -5.338 101 1HD1 LEU 17 2HD1 LEU 17 -4.236 -7.732 -7.732 102 2HD1 LEU 17 3HD1 LEU 17 -3.847 -8.045 -8.045 103 3HD1 LEU 17 1HD1 LEU 17 -5.477 -7.499 -7.499 104 1HD2 LEU 17 1HD2 LEU 17 -2.968 -4.684 -4.684 105 2HD2 LEU 17 2HD2 LEU 17 -4.191 -5.759 -5.759 106 3HD2 LEU 17 3HD2 LEU 17 -2.636 -6.420 -6.420 107 H TYR 18 H TYR 18 -1.723 -6.812 -6.812 108 HA TYR 18 HA TYR 18 -1.723 -9.698 -9.698 109 1HB TYR 18 1HB TYR 18 -3.982 -7.931 -7.931 110 2HB TYR 18 2HB TYR 18 -3.823 -9.613 -9.613 111 HD1 TYR 18 1HD TYR 18 -3.097 -10.897 -10.897 112 HD2 TYR 18 2HD TYR 18 -5.951 -7.834 -7.834 113 HE1 TYR 18 1HE TYR 18 -4.452 -11.584 -11.584 114 HE2 TYR 18 2HE TYR 18 -7.295 -8.534 -8.534 115 HH TYR 18 HH TYR 18 -6.462 -9.847 -9.847 116 H CYS 19 H CYS 19 -0.190 -7.213 -7.213 117 HA CYS 19 HA CYS 19 -0.326 -7.749 -7.749 118 1HB CYS 19 1HB CYS 19 1.104 -5.712 -5.712 119 2HB CYS 19 2HB CYS 19 1.557 -5.971 -5.971 120 H GLY 20 H GLY 20 2.375 -7.428 -7.428 121 1HA GLY 20 1HA GLY 20 3.994 -8.980 -8.980 122 2HA GLY 20 2HA GLY 20 3.440 -9.995 -9.995 123 HA PRO 21 HA PRO 21 6.934 -8.408 -8.408 124 1HB PRO 21 1HB PRO 21 6.624 -9.861 -9.861 125 2HB PRO 21 2HB PRO 21 7.415 -10.499 -10.499 126 1HG PRO 21 1HG PRO 21 4.733 -11.113 -11.113 127 2HG PRO 21 2HG PRO 21 5.686 -12.022 -12.022 128 1HD PRO 21 1HD PRO 21 3.439 -10.341 -10.341 129 2HD PRO 21 2HD PRO 21 4.462 -11.157 -11.157 130 H LEU 22 H LEU 22 3.707 -7.917 -7.917 131 HA LEU 22 HA LEU 22 4.336 -6.286 -6.286 132 1HB LEU 22 1HB LEU 22 1.682 -6.780 -6.780 133 2HB LEU 22 2HB LEU 22 1.947 -6.039 -6.039 134 HG LEU 22 HG LEU 22 3.187 -8.639 -8.639 135 1HD1 LEU 22 3HD1 LEU 22 1.122 -8.687 -8.687 136 2HD1 LEU 22 1HD1 LEU 22 0.287 -9.107 -9.107 137 3HD1 LEU 22 2HD1 LEU 22 1.672 -10.080 -10.080 138 1HD2 LEU 22 2HD2 LEU 22 2.365 -7.225 -7.225 139 2HD2 LEU 22 3HD2 LEU 22 1.980 -8.956 -8.956 140 3HD2 LEU 22 1HD2 LEU 22 0.728 -7.784 -7.784 141 H ILE 23 H ILE 23 4.240 -6.027 -6.027 142 HA ILE 23 HA ILE 23 3.130 -3.595 -3.595 143 HB ILE 23 HB ILE 23 5.644 -4.797 -4.797 144 1HG1 ILE 23 1HG1 ILE 23 2.818 -4.925 -4.925 145 2HG1 ILE 23 2HG1 ILE 23 3.509 -6.167 -6.167 146 1HG2 ILE 23 2HG2 ILE 23 5.435 -2.396 -2.396 147 2HG2 ILE 23 3HG2 ILE 23 3.834 -2.661 -2.661 148 3HG2 ILE 23 1HG2 ILE 23 5.260 -3.391 -3.391 149 1HD1 ILE 23 2HD1 ILE 23 5.399 -6.419 -6.419 150 2HD1 ILE 23 3HD1 ILE 23 4.563 -5.248 -5.248 151 3HD1 ILE 23 1HD1 ILE 23 3.807 -6.814 -6.814 152 H GLU 24 H GLU 24 6.363 -4.321 -4.321 153 HA GLU 24 HA GLU 24 7.323 -1.754 -1.754 154 1HB GLU 24 1HB GLU 24 8.518 -3.970 -3.970 155 2HB GLU 24 2HB GLU 24 7.815 -3.765 -3.765 156 1HG GLU 24 1HG GLU 24 8.905 -1.475 -1.475 157 2HG GLU 24 2HG GLU 24 9.679 -1.786 -1.786 158 H ILE 25 H ILE 25 5.786 -3.406 -3.406 159 HA ILE 25 HA ILE 25 5.573 -1.038 -1.038 160 HB ILE 25 HB ILE 25 4.340 -3.764 -3.764 161 1HG1 ILE 25 1HG1 ILE 25 5.567 -3.591 -3.591 162 2HG1 ILE 25 2HG1 ILE 25 6.371 -2.193 -2.193 163 1HG2 ILE 25 1HG2 ILE 25 3.547 -1.331 -1.331 164 2HG2 ILE 25 2HG2 ILE 25 3.418 -2.960 -2.960 165 3HG2 ILE 25 3HG2 ILE 25 2.515 -2.539 -2.539 166 1HD1 ILE 25 2HD1 ILE 25 6.293 -4.610 -4.610 167 2HD1 ILE 25 3HD1 ILE 25 7.291 -4.741 -4.741 168 3HD1 ILE 25 1HD1 ILE 25 7.613 -3.449 -3.449 169 H CYS 26 H CYS 26 3.829 -2.230 -2.230 170 HA CYS 26 HA CYS 26 1.388 -0.892 -0.892 171 1HB CYS 26 1HB CYS 26 1.859 -2.918 -2.918 172 2HB CYS 26 2HB CYS 26 2.228 -1.687 -1.687 173 H GLU 27 H GLU 27 4.377 -0.301 -0.301 174 HA GLU 27 HA GLU 27 3.363 2.173 2.173 175 1HB GLU 27 1HB GLU 27 5.031 0.747 0.747 176 2HB GLU 27 2HB GLU 27 6.211 1.085 1.085 177 1HG GLU 27 1HG GLU 27 5.214 3.628 3.628 178 2HG GLU 27 2HG GLU 27 5.415 2.738 2.738 179 H LEU 28 H LEU 28 4.906 1.087 1.087 180 HA LEU 28 HA LEU 28 6.135 3.572 3.572 181 1HB LEU 28 1HB LEU 28 5.886 0.903 0.903 182 2HB LEU 28 2HB LEU 28 5.704 2.127 2.127 183 HG LEU 28 HG LEU 28 8.060 1.121 1.121 184 1HD1 LEU 28 1HD1 LEU 28 7.225 3.226 3.226 185 2HD1 LEU 28 2HD1 LEU 28 8.257 4.059 4.059 186 3HD1 LEU 28 3HD1 LEU 28 8.925 2.749 2.749 187 1HD2 LEU 28 1HD2 LEU 28 7.658 1.917 1.917 188 2HD2 LEU 28 2HD2 LEU 28 9.267 2.104 2.104 189 3HD2 LEU 28 3HD2 LEU 28 8.176 3.503 3.503 190 H THR 29 H THR 29 3.229 1.837 1.837 191 HA THR 29 HA THR 29 2.316 3.947 3.947 192 HB THR 29 HB THR 29 0.991 1.578 1.578 193 HG1 THR 29 1HG THR 29 1.407 0.762 0.762 194 1HG2 THR 29 2HG2 THR 29 -0.210 3.646 3.646 195 2HG2 THR 29 3HG2 THR 29 -0.868 2.001 2.001 196 3HG2 THR 29 1HG2 THR 29 -0.866 3.111 3.111 197 H VAL 30 H VAL 30 1.759 3.248 3.248 198 HA VAL 30 HA VAL 30 -0.169 5.211 5.211 199 HB VAL 30 HB VAL 30 1.927 4.035 4.035 200 1HG1 VAL 30 2HG1 VAL 30 0.894 6.285 6.285 201 2HG1 VAL 30 3HG1 VAL 30 -0.621 5.385 5.385 202 3HG1 VAL 30 1HG1 VAL 30 0.806 4.935 4.935 203 1HG2 VAL 30 2HG2 VAL 30 -0.064 2.696 2.696 204 2HG2 VAL 30 3HG2 VAL 30 0.496 2.320 2.320 205 3HG2 VAL 30 1HG2 VAL 30 -0.955 3.314 3.314 206 H MET 31 H MET 31 3.306 5.445 5.445 207 HA MET 31 HA MET 31 3.429 8.067 8.067 208 1HB MET 31 1HB MET 31 5.142 6.051 6.051 209 2HB MET 31 2HB MET 31 5.608 6.931 6.931 210 1HG MET 31 1HG MET 31 6.767 8.441 8.441 211 2HG MET 31 2HG MET 31 5.334 8.848 8.848 212 1HE MET 31 1HE MET 31 8.506 7.533 7.533 213 2HE MET 31 2HE MET 31 8.985 7.816 7.816 214 3HE MET 31 3HE MET 31 8.756 6.154 6.154 215 H GLN 32 H GLN 32 3.267 6.389 6.389 216 HA GLN 32 HA GLN 32 3.762 8.702 8.702 217 1HB GLN 32 1HB GLN 32 3.568 6.023 6.023 218 2HB GLN 32 2HB GLN 32 2.059 6.588 6.588 219 1HG GLN 32 1HG GLN 32 3.771 6.681 6.681 220 2HG GLN 32 2HG GLN 32 3.323 8.318 8.318 221 1HE2 GLN 32 2HE2 GLN 32 7.105 6.906 6.906 222 2HE2 GLN 32 1HE2 GLN 32 5.794 5.962 5.962 223 H ASN 33 H ASN 33 1.237 8.132 8.132 224 HA ASN 33 HA ASN 33 -0.429 9.967 9.967 225 1HB ASN 33 1HB ASN 33 -2.372 8.675 8.675 226 2HB ASN 33 2HB ASN 33 -1.174 7.412 7.412 227 1HD2 ASN 33 2HD2 ASN 33 -1.861 5.805 5.805 228 2HD2 ASN 33 1HD2 ASN 33 -1.178 5.811 5.811 229 H CYS 34 H CYS 34 0.213 8.146 8.146 230 HA CYS 34 HA CYS 34 -0.842 10.414 10.414 231 1HB CYS 34 1HB CYS 34 -1.083 7.574 7.574 232 2HB CYS 34 2HB CYS 34 -0.266 8.239 8.239 233 H GLU 35 H GLU 35 0.466 10.207 10.207 234 HA GLU 35 HA GLU 35 3.291 10.326 10.326 235 1HB GLU 35 1HB GLU 35 2.394 12.601 12.601 236 2HB GLU 35 2HB GLU 35 1.811 12.162 12.162 237 1HG GLU 35 1HG GLU 35 3.919 13.323 13.323 238 2HG GLU 35 2HG GLU 35 4.197 11.637 11.637 239 HA PRO 36 HA PRO 36 2.813 7.391 7.391 240 1HB PRO 36 1HB PRO 36 4.225 5.321 5.321 241 2HB PRO 36 2HB PRO 36 2.483 5.484 5.484 242 1HG PRO 36 1HG PRO 36 4.526 5.985 5.985 243 2HG PRO 36 2HG PRO 36 2.814 5.723 5.723 244 1HD PRO 36 1HD PRO 36 4.181 8.232 8.232 245 2HD PRO 36 2HD PRO 36 2.455 7.978 7.978 246 HA PRO 37 HA PRO 37 3.792 5.326 5.326 247 1HB PRO 37 1HB PRO 37 4.478 4.637 4.637 248 2HB PRO 37 2HB PRO 37 5.276 3.983 3.983 249 1HG PRO 37 1HG PRO 37 6.259 6.015 6.015 250 2HG PRO 37 2HG PRO 37 7.171 5.049 5.049 251 1HD PRO 37 1HD PRO 37 6.450 7.813 7.813 252 2HD PRO 37 2HD PRO 37 7.265 6.827 6.827 253 H PHE 38 H PHE 38 1.506 5.048 5.048 254 HA PHE 38 HA PHE 38 0.472 7.428 7.428 255 1HB PHE 38 1HB PHE 38 -1.020 5.766 5.766 256 2HB PHE 38 2HB PHE 38 -0.009 4.477 4.477 257 HD1 PHE 38 2HD PHE 38 -2.540 6.860 6.860 258 HD2 PHE 38 1HD PHE 38 -0.291 3.534 3.534 259 HE1 PHE 38 2HE PHE 38 -4.199 6.629 6.629 260 1HE2 PHE 38 1HE PHE 38 -1.944 3.299 3.299 261 1HZ PHE 38 HZ PHE 38 -3.837 4.825 4.825 262 H SER 39 H SER 39 0.282 8.559 8.559 263 HA SER 39 HA SER 39 1.825 8.156 8.156 264 1HB SER 39 1HB SER 39 -0.994 9.208 9.208 265 2HB SER 39 2HB SER 39 0.499 9.766 9.766 266 HG SER 39 HG SER 39 -0.556 10.973 10.973 Start of MODEL 18 1 HA ASP 1 HA ASP 1 -7.834 -9.589 -9.589 2 1HB ASP 1 1HB ASP 1 -5.506 -9.676 -9.676 3 2HB ASP 1 2HB ASP 1 -6.168 -10.264 -10.264 4 H GLU 2 H GLU 2 -6.372 -8.478 -8.478 5 HA GLU 2 HA GLU 2 -7.697 -5.883 -5.883 6 1HB GLU 2 1HB GLU 2 -5.986 -7.445 -7.445 7 2HB GLU 2 2HB GLU 2 -7.143 -6.153 -6.153 8 1HG GLU 2 1HG GLU 2 -7.846 -8.937 -8.937 9 2HG GLU 2 2HG GLU 2 -8.128 -8.331 -8.331 10 H CYS 3 H CYS 3 -4.555 -7.337 -7.337 11 HA CYS 3 HA CYS 3 -2.881 -5.202 -5.202 12 1HB CYS 3 1HB CYS 3 -2.090 -7.378 -7.378 13 2HB CYS 3 2HB CYS 3 -2.735 -6.969 -6.969 14 H ALA 4 H ALA 4 -4.706 -5.708 -5.708 15 HA ALA 4 HA ALA 4 -4.060 -3.230 -3.230 16 1HB ALA 4 2HB ALA 4 -5.180 -5.120 -5.120 17 2HB ALA 4 3HB ALA 4 -6.618 -4.885 -4.885 18 3HB ALA 4 1HB ALA 4 -6.140 -3.635 -3.635 19 H ASN 5 H ASN 5 -6.749 -4.107 -4.107 20 HA ASN 5 HA ASN 5 -7.851 -1.482 -1.482 21 1HB ASN 5 1HB ASN 5 -9.505 -2.071 -2.071 22 2HB ASN 5 2HB ASN 5 -9.052 -3.618 -3.618 23 1HD2 ASN 5 2HD2 ASN 5 -9.485 -4.906 -4.906 24 2HD2 ASN 5 1HD2 ASN 5 -10.309 -4.512 -4.512 25 H ALA 6 H ALA 6 -5.200 -2.735 -2.735 26 HA ALA 6 HA ALA 6 -5.127 -0.707 -0.707 27 1HB ALA 6 2HB ALA 6 -3.995 -2.949 -2.949 28 2HB ALA 6 3HB ALA 6 -2.882 -2.478 -2.478 29 3HB ALA 6 1HB ALA 6 -2.891 -1.558 -1.558 30 H ALA 7 H ALA 7 -3.450 -1.222 -1.222 31 HA ALA 7 HA ALA 7 -2.037 1.265 1.265 32 1HB ALA 7 1HB ALA 7 -3.147 -0.419 -0.419 33 2HB ALA 7 2HB ALA 7 -1.969 0.895 0.895 34 3HB ALA 7 3HB ALA 7 -1.541 -0.581 -0.581 35 H ALA 8 H ALA 8 -5.239 0.270 0.270 36 HA ALA 8 HA ALA 8 -6.111 2.712 2.712 37 1HB ALA 8 1HB ALA 8 -7.186 0.391 0.391 38 2HB ALA 8 2HB ALA 8 -7.914 0.728 0.728 39 3HB ALA 8 3HB ALA 8 -8.280 1.758 1.758 40 H GLN 9 H GLN 9 -6.565 1.438 1.438 41 HA GLN 9 HA GLN 9 -7.925 3.806 3.806 42 1HB GLN 9 1HB GLN 9 -8.108 1.518 1.518 43 2HB GLN 9 2HB GLN 9 -6.545 1.725 1.725 44 1HG GLN 9 1HG GLN 9 -8.817 3.737 3.737 45 2HG GLN 9 2HG GLN 9 -8.911 2.183 2.183 46 1HE2 GLN 9 2HE2 GLN 9 -6.003 3.002 3.002 47 2HE2 GLN 9 1HE2 GLN 9 -6.466 1.679 1.679 48 H CYS 10 H CYS 10 -4.601 3.189 3.189 49 HA CYS 10 HA CYS 10 -2.750 4.397 4.397 50 1HB CYS 10 1HB CYS 10 -4.560 6.695 6.695 51 2HB CYS 10 2HB CYS 10 -2.821 6.757 6.757 52 H SER 11 H SER 11 -2.816 2.549 2.549 53 HA SER 11 HA SER 11 -1.783 3.809 3.809 54 1HB SER 11 1HB SER 11 -4.082 3.241 3.241 55 2HB SER 11 2HB SER 11 -3.979 1.680 1.680 56 HG SER 11 HG SER 11 -2.362 1.088 1.088 57 H ILE 12 H ILE 12 0.067 3.232 3.232 58 HA ILE 12 HA ILE 12 1.421 0.943 0.943 59 HB ILE 12 HB ILE 12 1.971 2.690 2.690 60 1HG1 ILE 12 1HG1 ILE 12 1.711 4.163 4.163 61 2HG1 ILE 12 2HG1 ILE 12 3.429 3.887 3.887 62 1HG2 ILE 12 2HG2 ILE 12 3.803 0.916 0.916 63 2HG2 ILE 12 3HG2 ILE 12 4.345 2.080 2.080 64 3HG2 ILE 12 1HG2 ILE 12 3.368 0.689 0.689 65 1HD1 ILE 12 1HD1 ILE 12 3.149 2.107 2.107 66 2HD1 ILE 12 2HD1 ILE 12 1.584 2.882 2.882 67 3HD1 ILE 12 3HD1 ILE 12 3.072 3.817 3.817 68 H THR 13 H THR 13 -0.600 1.509 1.509 69 HA THR 13 HA THR 13 0.339 -0.788 -0.788 70 HB THR 13 HB THR 13 -2.452 0.390 0.390 71 HG1 THR 13 1HG THR 13 -1.363 2.030 2.030 72 1HG2 THR 13 3HG2 THR 13 -0.304 -0.584 -0.584 73 2HG2 THR 13 1HG2 THR 13 -1.913 0.024 0.024 74 3HG2 THR 13 2HG2 THR 13 -1.753 -1.483 -1.483 75 H LEU 14 H LEU 14 -2.827 -0.272 -0.272 76 HA LEU 14 HA LEU 14 -3.540 -2.930 -2.930 77 1HB LEU 14 1HB LEU 14 -3.897 -0.541 -0.541 78 2HB LEU 14 2HB LEU 14 -4.685 -2.110 -2.110 79 HG LEU 14 HG LEU 14 -5.195 0.143 0.143 80 1HD1 LEU 14 2HD1 LEU 14 -6.533 -0.243 -0.243 81 2HD1 LEU 14 3HD1 LEU 14 -6.989 -1.841 -1.841 82 3HD1 LEU 14 1HD1 LEU 14 -7.525 -0.389 -0.389 83 1HD2 LEU 14 3HD2 LEU 14 -5.795 -2.757 -2.757 84 2HD2 LEU 14 1HD2 LEU 14 -4.797 -1.637 -1.637 85 3HD2 LEU 14 2HD2 LEU 14 -6.545 -1.359 -1.359 86 H CYS 15 H CYS 15 -1.080 -1.148 -1.148 87 HA CYS 15 HA CYS 15 -0.703 -3.184 -3.184 88 1HB CYS 15 1HB CYS 15 1.429 -1.325 -1.325 89 2HB CYS 15 2HB CYS 15 1.669 -2.437 -2.437 90 H ASN 16 H ASN 16 1.288 -2.673 -2.673 91 HA ASN 16 HA ASN 16 2.430 -5.307 -5.307 92 1HB ASN 16 1HB ASN 16 2.326 -3.785 -3.785 93 2HB ASN 16 2HB ASN 16 3.370 -5.144 -5.144 94 1HD2 ASN 16 2HD2 ASN 16 4.421 -1.429 -1.429 95 2HD2 ASN 16 1HD2 ASN 16 2.716 -1.720 -1.720 96 H LEU 17 H LEU 17 -0.671 -4.359 -4.359 97 HA LEU 17 HA LEU 17 -1.059 -6.555 -6.555 98 1HB LEU 17 1HB LEU 17 -2.539 -4.446 -4.446 99 2HB LEU 17 2HB LEU 17 -3.360 -5.692 -5.692 100 HG LEU 17 HG LEU 17 -4.581 -5.605 -5.605 101 1HD1 LEU 17 3HD1 LEU 17 -3.365 -7.906 -7.906 102 2HD1 LEU 17 1HD1 LEU 17 -2.458 -7.251 -7.251 103 3HD1 LEU 17 2HD1 LEU 17 -4.214 -7.375 -7.375 104 1HD2 LEU 17 2HD2 LEU 17 -2.109 -4.779 -4.779 105 2HD2 LEU 17 3HD2 LEU 17 -3.429 -3.728 -3.728 106 3HD2 LEU 17 1HD2 LEU 17 -3.733 -4.940 -4.940 107 H TYR 18 H TYR 18 -1.766 -6.300 -6.300 108 HA TYR 18 HA TYR 18 -1.684 -9.298 -9.298 109 1HB TYR 18 1HB TYR 18 -3.830 -7.429 -7.429 110 2HB TYR 18 2HB TYR 18 -3.794 -9.183 -9.183 111 HD1 TYR 18 2HD TYR 18 -3.303 -10.402 -10.402 112 HD2 TYR 18 1HD TYR 18 -5.501 -6.759 -6.759 113 HE1 TYR 18 2HE TYR 18 -4.480 -10.698 -10.698 114 HE2 TYR 18 1HE TYR 18 -6.744 -7.114 -7.114 115 HH TYR 18 HH TYR 18 -5.674 -9.410 -9.410 116 H CYS 19 H CYS 19 0.288 -7.226 -7.226 117 HA CYS 19 HA CYS 19 -0.109 -7.919 -7.919 118 1HB CYS 19 1HB CYS 19 1.531 -5.860 -5.860 119 2HB CYS 19 2HB CYS 19 1.818 -6.325 -6.325 120 H GLY 20 H GLY 20 2.337 -8.483 -8.483 121 1HA GLY 20 1HA GLY 20 4.181 -9.835 -9.835 122 2HA GLY 20 2HA GLY 20 3.494 -10.693 -10.693 123 HA PRO 21 HA PRO 21 7.244 -8.577 -8.577 124 1HB PRO 21 1HB PRO 21 7.099 -9.535 -9.535 125 2HB PRO 21 2HB PRO 21 7.678 -10.516 -10.516 126 1HG PRO 21 1HG PRO 21 4.891 -10.509 -10.509 127 2HG PRO 21 2HG PRO 21 5.940 -11.922 -11.922 128 1HD PRO 21 1HD PRO 21 4.069 -11.194 -11.194 129 2HD PRO 21 2HD PRO 21 5.695 -11.662 -11.662 130 H LEU 22 H LEU 22 4.008 -8.668 -8.668 131 HA LEU 22 HA LEU 22 4.156 -6.449 -6.449 132 1HB LEU 22 1HB LEU 22 1.711 -7.242 -7.242 133 2HB LEU 22 2HB LEU 22 1.771 -6.456 -6.456 134 HG LEU 22 HG LEU 22 2.564 -9.347 -9.347 135 1HD1 LEU 22 2HD1 LEU 22 0.118 -8.176 -8.176 136 2HD1 LEU 22 3HD1 LEU 22 0.516 -9.899 -9.899 137 3HD1 LEU 22 1HD1 LEU 22 0.151 -8.947 -8.947 138 1HD2 LEU 22 1HD2 LEU 22 3.829 -8.390 -8.390 139 2HD2 LEU 22 2HD2 LEU 22 2.657 -9.615 -9.615 140 3HD2 LEU 22 3HD2 LEU 22 2.276 -7.891 -7.891 141 H ILE 23 H ILE 23 4.450 -6.496 -6.496 142 HA ILE 23 HA ILE 23 3.270 -4.072 -4.072 143 HB ILE 23 HB ILE 23 5.856 -5.414 -5.414 144 1HG1 ILE 23 1HG1 ILE 23 3.214 -4.981 -4.981 145 2HG1 ILE 23 2HG1 ILE 23 3.521 -6.425 -6.425 146 1HG2 ILE 23 1HG2 ILE 23 4.473 -2.982 -2.982 147 2HG2 ILE 23 2HG2 ILE 23 5.841 -3.861 -3.861 148 3HG2 ILE 23 3HG2 ILE 23 6.060 -2.975 -2.975 149 1HD1 ILE 23 2HD1 ILE 23 5.561 -6.891 -6.891 150 2HD1 ILE 23 3HD1 ILE 23 5.002 -5.608 -5.608 151 3HD1 ILE 23 1HD1 ILE 23 3.994 -7.036 -7.036 152 H GLU 24 H GLU 24 6.355 -4.715 -4.715 153 HA GLU 24 HA GLU 24 7.052 -1.940 -1.940 154 1HB GLU 24 1HB GLU 24 8.747 -3.698 -3.698 155 2HB GLU 24 2HB GLU 24 7.866 -4.153 -4.153 156 1HG GLU 24 1HG GLU 24 8.325 -1.886 -1.886 157 2HG GLU 24 2HG GLU 24 9.237 -1.463 -1.463 158 H ILE 25 H ILE 25 5.729 -3.672 -3.672 159 HA ILE 25 HA ILE 25 5.345 -1.290 -1.290 160 HB ILE 25 HB ILE 25 3.693 -3.855 -3.855 161 1HG1 ILE 25 1HG1 ILE 25 5.966 -4.462 -4.462 162 2HG1 ILE 25 2HG1 ILE 25 5.027 -4.538 -4.538 163 1HG2 ILE 25 2HG2 ILE 25 3.793 -1.603 -1.603 164 2HG2 ILE 25 3HG2 ILE 25 3.077 -3.209 -3.209 165 3HG2 ILE 25 1HG2 ILE 25 2.416 -2.172 -2.172 166 1HD1 ILE 25 1HD1 ILE 25 5.964 -2.288 -2.288 167 2HD1 ILE 25 2HD1 ILE 25 7.000 -2.350 -2.350 168 3HD1 ILE 25 3HD1 ILE 25 7.180 -3.565 -3.565 169 H CYS 26 H CYS 26 3.509 -2.563 -2.563 170 HA CYS 26 HA CYS 26 1.142 -1.016 -1.016 171 1HB CYS 26 1HB CYS 26 1.161 -3.060 -3.060 172 2HB CYS 26 2HB CYS 26 2.109 -2.292 -2.292 173 H GLU 27 H GLU 27 3.957 -0.802 -0.802 174 HA GLU 27 HA GLU 27 3.271 1.592 1.592 175 1HB GLU 27 1HB GLU 27 4.933 -0.119 -0.119 176 2HB GLU 27 2HB GLU 27 5.955 0.304 0.304 177 1HG GLU 27 1HG GLU 27 6.259 2.576 2.576 178 2HG GLU 27 2HG GLU 27 5.261 2.112 2.112 179 H LEU 28 H LEU 28 5.150 0.840 0.840 180 HA LEU 28 HA LEU 28 5.893 3.442 3.442 181 1HB LEU 28 1HB LEU 28 5.747 0.735 0.735 182 2HB LEU 28 2HB LEU 28 5.528 1.970 1.970 183 HG LEU 28 HG LEU 28 7.784 1.334 1.334 184 1HD1 LEU 28 3HD1 LEU 28 7.147 3.777 3.777 185 2HD1 LEU 28 1HD1 LEU 28 7.720 4.122 4.122 186 3HD1 LEU 28 2HD1 LEU 28 8.840 3.475 3.475 187 1HD2 LEU 28 1HD2 LEU 28 7.945 0.565 0.565 188 2HD2 LEU 28 2HD2 LEU 28 9.231 1.733 1.733 189 3HD2 LEU 28 3HD2 LEU 28 7.816 2.229 2.229 190 H THR 29 H THR 29 3.008 1.546 1.546 191 HA THR 29 HA THR 29 1.981 3.570 3.570 192 HB THR 29 HB THR 29 0.445 1.537 1.537 193 HG1 THR 29 1HG THR 29 2.091 0.732 0.732 194 1HG2 THR 29 1HG2 THR 29 -0.369 3.011 3.011 195 2HG2 THR 29 2HG2 THR 29 -1.270 1.674 1.674 196 3HG2 THR 29 3HG2 THR 29 -1.096 3.206 3.206 197 H VAL 30 H VAL 30 1.526 3.069 3.069 198 HA VAL 30 HA VAL 30 -0.265 5.296 5.296 199 HB VAL 30 HB VAL 30 1.651 4.197 4.197 200 1HG1 VAL 30 3HG1 VAL 30 -0.888 5.873 5.873 201 2HG1 VAL 30 1HG1 VAL 30 -0.049 5.180 5.180 202 3HG1 VAL 30 2HG1 VAL 30 0.738 6.425 6.425 203 1HG2 VAL 30 3HG2 VAL 30 -1.160 3.408 3.408 204 2HG2 VAL 30 1HG2 VAL 30 0.240 2.358 2.358 205 3HG2 VAL 30 2HG2 VAL 30 -0.533 3.047 3.047 206 H MET 31 H MET 31 3.276 5.064 5.064 207 HA MET 31 HA MET 31 3.919 7.721 7.721 208 1HB MET 31 1HB MET 31 5.276 5.378 5.378 209 2HB MET 31 2HB MET 31 5.704 6.307 6.307 210 1HG MET 31 1HG MET 31 6.453 8.170 8.170 211 2HG MET 31 2HG MET 31 6.049 7.163 7.163 212 1HE MET 31 1HE MET 31 7.319 4.995 4.995 213 2HE MET 31 2HE MET 31 7.138 4.229 4.229 214 3HE MET 31 3HE MET 31 8.740 4.351 4.351 215 H GLN 32 H GLN 32 3.229 6.169 6.169 216 HA GLN 32 HA GLN 32 3.862 8.546 8.546 217 1HB GLN 32 1HB GLN 32 3.976 5.746 5.746 218 2HB GLN 32 2HB GLN 32 2.643 6.263 6.263 219 1HG GLN 32 1HG GLN 32 4.713 8.194 8.194 220 2HG GLN 32 2HG GLN 32 5.535 6.651 6.651 221 1HE2 GLN 32 2HE2 GLN 32 3.262 7.451 7.451 222 2HE2 GLN 32 1HE2 GLN 32 3.518 8.636 8.636 223 H ASN 33 H ASN 33 1.038 7.657 7.657 224 HA ASN 33 HA ASN 33 -0.512 9.384 9.384 225 1HB ASN 33 1HB ASN 33 -2.129 7.937 7.937 226 2HB ASN 33 2HB ASN 33 -0.907 6.698 6.698 227 1HD2 ASN 33 2HD2 ASN 33 -2.420 5.675 5.675 228 2HD2 ASN 33 1HD2 ASN 33 -0.881 5.854 5.854 229 H CYS 34 H CYS 34 0.551 8.932 8.932 230 HA CYS 34 HA CYS 34 -1.444 10.653 10.653 231 1HB CYS 34 1HB CYS 34 -1.238 7.685 7.685 232 2HB CYS 34 2HB CYS 34 -1.324 8.547 8.547 233 H GLU 35 H GLU 35 -0.548 10.500 10.500 234 HA GLU 35 HA GLU 35 2.436 10.623 10.623 235 1HB GLU 35 1HB GLU 35 1.355 12.847 12.847 236 2HB GLU 35 2HB GLU 35 0.692 12.450 12.450 237 1HG GLU 35 1HG GLU 35 3.685 12.098 12.098 238 2HG GLU 35 2HG GLU 35 3.032 13.708 13.708 239 HA PRO 36 HA PRO 36 1.531 7.820 7.820 240 1HB PRO 36 1HB PRO 36 3.303 5.856 5.856 241 2HB PRO 36 2HB PRO 36 1.814 6.080 6.080 242 1HG PRO 36 1HG PRO 36 4.652 6.991 6.991 243 2HG PRO 36 2HG PRO 36 3.515 6.186 6.186 244 1HD PRO 36 1HD PRO 36 3.925 8.960 8.960 245 2HD PRO 36 2HD PRO 36 2.418 8.211 8.211 246 HA PRO 37 HA PRO 37 2.726 5.916 5.916 247 1HB PRO 37 1HB PRO 37 2.886 5.841 5.841 248 2HB PRO 37 2HB PRO 37 4.242 5.405 5.405 249 1HG PRO 37 1HG PRO 37 3.793 8.033 8.033 250 2HG PRO 37 2HG PRO 37 5.290 7.070 7.070 251 1HD PRO 37 1HD PRO 37 4.717 9.236 9.236 252 2HD PRO 37 2HD PRO 37 5.660 7.834 7.834 253 H PHE 38 H PHE 38 0.495 5.749 5.749 254 HA PHE 38 HA PHE 38 -1.277 7.722 7.722 255 1HB PHE 38 1HB PHE 38 -1.928 5.747 5.747 256 2HB PHE 38 2HB PHE 38 -1.119 4.801 4.801 257 HD1 PHE 38 1HD PHE 38 -4.095 6.737 6.737 258 HD2 PHE 38 2HD PHE 38 -2.252 3.834 3.834 259 HE1 PHE 38 1HE PHE 38 -6.344 6.213 6.213 260 HE2 PHE 38 2HE PHE 38 -4.496 3.178 3.178 261 1HZ PHE 38 HZ PHE 38 -6.534 4.418 4.418 262 H SER 39 H SER 39 -2.381 8.920 8.920 263 HA SER 39 HA SER 39 -1.546 9.357 9.357 264 1HB SER 39 1HB SER 39 -3.667 10.678 10.678 265 2HB SER 39 2HB SER 39 -2.642 11.065 11.065 266 HG SER 39 HG SER 39 -4.761 9.184 9.184 Start of MODEL 19 1 HA ASP 1 HA ASP 1 -7.565 -9.307 -9.307 2 1HB ASP 1 1HB ASP 1 -5.761 -9.300 -9.300 3 2HB ASP 1 2HB ASP 1 -5.314 -7.651 -7.651 4 H GLU 2 H GLU 2 -6.665 -8.387 -8.387 5 HA GLU 2 HA GLU 2 -7.938 -5.806 -5.806 6 1HB GLU 2 1HB GLU 2 -6.674 -8.096 -8.096 7 2HB GLU 2 2HB GLU 2 -7.239 -6.582 -6.582 8 1HG GLU 2 1HG GLU 2 -9.498 -6.957 -6.957 9 2HG GLU 2 2HG GLU 2 -9.052 -8.328 -8.328 10 H CYS 3 H CYS 3 -4.803 -7.429 -7.429 11 HA CYS 3 HA CYS 3 -3.069 -5.373 -5.373 12 1HB CYS 3 1HB CYS 3 -2.194 -7.526 -7.526 13 2HB CYS 3 2HB CYS 3 -2.809 -7.305 -7.305 14 H ALA 4 H ALA 4 -4.733 -5.788 -5.788 15 HA ALA 4 HA ALA 4 -3.714 -3.403 -3.403 16 1HB ALA 4 2HB ALA 4 -6.328 -4.911 -4.911 17 2HB ALA 4 3HB ALA 4 -5.696 -3.611 -3.611 18 3HB ALA 4 1HB ALA 4 -4.794 -5.138 -5.138 19 H ASN 5 H ASN 5 -6.749 -4.151 -4.151 20 HA ASN 5 HA ASN 5 -7.805 -1.580 -1.580 21 1HB ASN 5 1HB ASN 5 -8.603 -4.050 -4.050 22 2HB ASN 5 2HB ASN 5 -8.478 -3.083 -3.083 23 1HD2 ASN 5 2HD2 ASN 5 -11.957 -2.897 -2.897 24 2HD2 ASN 5 1HD2 ASN 5 -10.921 -3.901 -3.901 25 H ALA 6 H ALA 6 -5.462 -2.839 -2.839 26 HA ALA 6 HA ALA 6 -5.531 -0.720 -0.720 27 1HB ALA 6 2HB ALA 6 -3.257 -2.571 -2.571 28 2HB ALA 6 3HB ALA 6 -3.314 -1.520 -1.520 29 3HB ALA 6 1HB ALA 6 -4.459 -2.876 -2.876 30 H ALA 7 H ALA 7 -3.761 -1.190 -1.190 31 HA ALA 7 HA ALA 7 -2.106 1.138 1.138 32 1HB ALA 7 3HB ALA 7 -1.740 -0.666 -0.666 33 2HB ALA 7 1HB ALA 7 -3.204 -0.127 -0.127 34 3HB ALA 7 2HB ALA 7 -1.826 0.961 0.961 35 H ALA 8 H ALA 8 -5.333 0.538 0.538 36 HA ALA 8 HA ALA 8 -5.886 3.224 3.224 37 1HB ALA 8 3HB ALA 8 -7.258 1.297 1.297 38 2HB ALA 8 1HB ALA 8 -7.894 1.125 1.125 39 3HB ALA 8 2HB ALA 8 -8.238 2.588 2.588 40 H GLN 9 H GLN 9 -6.295 1.530 1.530 41 HA GLN 9 HA GLN 9 -7.483 3.799 3.799 42 1HB GLN 9 1HB GLN 9 -7.809 1.366 1.366 43 2HB GLN 9 2HB GLN 9 -6.202 1.401 1.401 44 1HG GLN 9 1HG GLN 9 -6.950 2.978 2.978 45 2HG GLN 9 2HG GLN 9 -8.396 3.390 3.390 46 1HE2 GLN 9 2HE2 GLN 9 -9.575 1.310 1.310 47 2HE2 GLN 9 1HE2 GLN 9 -8.939 2.930 2.930 48 H CYS 10 H CYS 10 -4.347 3.349 3.349 49 HA CYS 10 HA CYS 10 -2.515 4.613 4.613 50 1HB CYS 10 1HB CYS 10 -4.620 6.478 6.478 51 2HB CYS 10 2HB CYS 10 -2.932 6.953 6.953 52 H SER 11 H SER 11 -2.487 2.546 2.546 53 HA SER 11 HA SER 11 -1.268 3.741 3.741 54 1HB SER 11 1HB SER 11 -3.725 3.245 3.245 55 2HB SER 11 2HB SER 11 -3.570 1.685 1.685 56 HG SER 11 HG SER 11 -2.957 2.351 2.351 57 H ILE 12 H ILE 12 0.376 2.860 2.860 58 HA ILE 12 HA ILE 12 1.594 0.617 0.617 59 HB ILE 12 HB ILE 12 2.268 2.703 2.703 60 1HG1 ILE 12 1HG1 ILE 12 3.986 3.304 3.304 61 2HG1 ILE 12 2HG1 ILE 12 3.412 1.892 1.892 62 1HG2 ILE 12 3HG2 ILE 12 4.071 0.377 0.377 63 2HG2 ILE 12 1HG2 ILE 12 4.556 1.806 1.806 64 3HG2 ILE 12 2HG2 ILE 12 3.401 0.671 0.671 65 1HD1 ILE 12 1HD1 ILE 12 1.602 4.224 4.224 66 2HD1 ILE 12 2HD1 ILE 12 2.744 4.043 4.043 67 3HD1 ILE 12 3HD1 ILE 12 1.490 2.848 2.848 68 H THR 13 H THR 13 0.010 1.247 1.247 69 HA THR 13 HA THR 13 0.818 -1.275 -1.275 70 HB THR 13 HB THR 13 -1.341 0.753 0.753 71 HG1 THR 13 1HG THR 13 0.882 1.409 1.409 72 1HG2 THR 13 3HG2 THR 13 -0.393 -1.628 -1.628 73 2HG2 THR 13 1HG2 THR 13 -1.320 -0.273 -0.273 74 3HG2 THR 13 2HG2 THR 13 -2.045 -1.292 -1.292 75 H LEU 14 H LEU 14 -2.226 -0.103 -0.103 76 HA LEU 14 HA LEU 14 -3.355 -2.770 -2.770 77 1HB LEU 14 1HB LEU 14 -4.050 -0.364 -0.364 78 2HB LEU 14 2HB LEU 14 -4.868 -1.890 -1.890 79 HG LEU 14 HG LEU 14 -4.554 -0.697 -0.697 80 1HD1 LEU 14 2HD1 LEU 14 -6.412 0.348 0.348 81 2HD1 LEU 14 3HD1 LEU 14 -6.637 0.646 0.646 82 3HD1 LEU 14 1HD1 LEU 14 -5.208 1.283 1.283 83 1HD2 LEU 14 1HD2 LEU 14 -5.621 -2.888 -2.888 84 2HD2 LEU 14 2HD2 LEU 14 -6.782 -1.702 -1.702 85 3HD2 LEU 14 3HD2 LEU 14 -6.772 -2.057 -2.057 86 H CYS 15 H CYS 15 -1.170 -1.111 -1.111 87 HA CYS 15 HA CYS 15 -1.230 -3.096 -3.096 88 1HB CYS 15 1HB CYS 15 1.079 -1.435 -1.435 89 2HB CYS 15 2HB CYS 15 1.286 -2.611 -2.611 90 H ASN 16 H ASN 16 0.983 -2.869 -2.869 91 HA ASN 16 HA ASN 16 1.917 -5.534 -5.534 92 1HB ASN 16 1HB ASN 16 3.323 -5.304 -5.304 93 2HB ASN 16 2HB ASN 16 3.299 -3.752 -3.752 94 1HD2 ASN 16 2HD2 ASN 16 3.081 -2.363 -2.363 95 2HD2 ASN 16 1HD2 ASN 16 3.738 -2.284 -2.284 96 H LEU 17 H LEU 17 -0.917 -4.553 -4.553 97 HA LEU 17 HA LEU 17 -1.221 -6.826 -6.826 98 1HB LEU 17 1HB LEU 17 -2.654 -4.824 -4.824 99 2HB LEU 17 2HB LEU 17 -3.516 -5.536 -5.536 100 HG LEU 17 HG LEU 17 -2.988 -7.308 -7.308 101 1HD1 LEU 17 1HD1 LEU 17 -4.793 -4.903 -4.903 102 2HD1 LEU 17 2HD1 LEU 17 -5.011 -6.293 -6.293 103 3HD1 LEU 17 3HD1 LEU 17 -3.517 -5.361 -5.361 104 1HD2 LEU 17 1HD2 LEU 17 -4.319 -7.999 -7.999 105 2HD2 LEU 17 2HD2 LEU 17 -5.070 -8.239 -8.239 106 3HD2 LEU 17 3HD2 LEU 17 -5.543 -6.841 -6.841 107 H TYR 18 H TYR 18 -1.651 -6.479 -6.479 108 HA TYR 18 HA TYR 18 -2.297 -9.422 -9.422 109 1HB TYR 18 1HB TYR 18 -3.156 -7.018 -7.018 110 2HB TYR 18 2HB TYR 18 -3.333 -8.679 -8.679 111 HD1 TYR 18 1HD TYR 18 -4.557 -10.358 -10.358 112 HD2 TYR 18 2HD TYR 18 -4.922 -6.078 -6.078 113 HE1 TYR 18 1HE TYR 18 -6.332 -10.657 -10.657 114 HE2 TYR 18 2HE TYR 18 -6.835 -6.392 -6.392 115 HH TYR 18 HH TYR 18 -7.261 -9.564 -9.564 116 H CYS 19 H CYS 19 -0.583 -6.776 -6.776 117 HA CYS 19 HA CYS 19 -0.097 -7.971 -7.971 118 1HB CYS 19 1HB CYS 19 1.368 -5.816 -5.816 119 2HB CYS 19 2HB CYS 19 1.858 -6.273 -6.273 120 H GLY 20 H GLY 20 2.324 -7.987 -7.987 121 1HA GLY 20 1HA GLY 20 4.096 -9.305 -9.305 122 2HA GLY 20 2HA GLY 20 3.536 -10.451 -10.451 123 HA PRO 21 HA PRO 21 7.242 -8.567 -8.567 124 1HB PRO 21 1HB PRO 21 7.102 -9.875 -9.875 125 2HB PRO 21 2HB PRO 21 7.739 -10.630 -10.630 126 1HG PRO 21 1HG PRO 21 4.967 -10.924 -10.924 127 2HG PRO 21 2HG PRO 21 6.044 -12.205 -12.205 128 1HD PRO 21 1HD PRO 21 4.026 -11.162 -11.162 129 2HD PRO 21 2HD PRO 21 5.578 -11.627 -11.627 130 H LEU 22 H LEU 22 3.927 -8.711 -8.711 131 HA LEU 22 HA LEU 22 4.235 -6.672 -6.672 132 1HB LEU 22 1HB LEU 22 1.765 -7.245 -7.245 133 2HB LEU 22 2HB LEU 22 1.861 -6.454 -6.454 134 HG LEU 22 HG LEU 22 2.481 -9.383 -9.383 135 1HD1 LEU 22 1HD1 LEU 22 0.101 -8.660 -8.660 136 2HD1 LEU 22 2HD1 LEU 22 0.145 -8.081 -8.081 137 3HD1 LEU 22 3HD1 LEU 22 0.362 -9.800 -9.800 138 1HD2 LEU 22 1HD2 LEU 22 2.352 -7.936 -7.936 139 2HD2 LEU 22 2HD2 LEU 22 3.811 -8.640 -8.640 140 3HD2 LEU 22 3HD2 LEU 22 2.482 -9.691 -9.691 141 H ILE 23 H ILE 23 4.570 -6.377 -6.377 142 HA ILE 23 HA ILE 23 3.192 -3.982 -3.982 143 HB ILE 23 HB ILE 23 5.790 -5.059 -5.059 144 1HG1 ILE 23 1HG1 ILE 23 3.018 -4.864 -4.864 145 2HG1 ILE 23 2HG1 ILE 23 3.473 -6.263 -6.263 146 1HG2 ILE 23 3HG2 ILE 23 3.972 -2.810 -2.810 147 2HG2 ILE 23 1HG2 ILE 23 5.300 -3.538 -3.538 148 3HG2 ILE 23 2HG2 ILE 23 5.653 -2.617 -2.617 149 1HD1 ILE 23 1HD1 ILE 23 5.430 -6.660 -6.660 150 2HD1 ILE 23 2HD1 ILE 23 4.772 -5.435 -5.435 151 3HD1 ILE 23 3HD1 ILE 23 3.824 -6.893 -6.893 152 H GLU 24 H GLU 24 6.342 -4.565 -4.565 153 HA GLU 24 HA GLU 24 7.052 -1.817 -1.817 154 1HB GLU 24 1HB GLU 24 8.584 -3.866 -3.866 155 2HB GLU 24 2HB GLU 24 8.028 -3.962 -3.962 156 1HG GLU 24 1HG GLU 24 8.972 -1.740 -1.740 157 2HG GLU 24 2HG GLU 24 9.362 -1.489 -1.489 158 H ILE 25 H ILE 25 5.945 -3.597 -3.597 159 HA ILE 25 HA ILE 25 5.600 -1.172 -1.172 160 HB ILE 25 HB ILE 25 4.254 -3.834 -3.834 161 1HG1 ILE 25 1HG1 ILE 25 6.692 -3.633 -3.633 162 2HG1 ILE 25 2HG1 ILE 25 5.640 -4.064 -4.064 163 1HG2 ILE 25 2HG2 ILE 25 3.829 -1.325 -1.325 164 2HG2 ILE 25 3HG2 ILE 25 3.483 -2.955 -2.955 165 3HG2 ILE 25 1HG2 ILE 25 2.604 -2.334 -2.334 166 1HD1 ILE 25 1HD1 ILE 25 5.772 -1.737 -1.737 167 2HD1 ILE 25 2HD1 ILE 25 6.869 -1.315 -1.315 168 3HD1 ILE 25 3HD1 ILE 25 7.351 -2.516 -2.516 169 H CYS 26 H CYS 26 3.633 -2.569 -2.569 170 HA CYS 26 HA CYS 26 1.210 -1.094 -1.094 171 1HB CYS 26 1HB CYS 26 1.408 -3.127 -3.127 172 2HB CYS 26 2HB CYS 26 2.162 -2.197 -2.197 173 H GLU 27 H GLU 27 3.983 -0.636 -0.636 174 HA GLU 27 HA GLU 27 3.021 1.876 1.876 175 1HB GLU 27 1HB GLU 27 4.716 0.500 0.500 176 2HB GLU 27 2HB GLU 27 5.883 0.811 0.811 177 1HG GLU 27 1HG GLU 27 5.744 3.230 3.230 178 2HG GLU 27 2HG GLU 27 4.478 2.999 2.999 179 H LEU 28 H LEU 28 5.119 0.911 0.911 180 HA LEU 28 HA LEU 28 5.881 3.520 3.520 181 1HB LEU 28 1HB LEU 28 5.774 0.798 0.798 182 2HB LEU 28 2HB LEU 28 5.601 2.029 2.029 183 HG LEU 28 HG LEU 28 7.869 1.245 1.245 184 1HD1 LEU 28 2HD1 LEU 28 7.370 3.614 3.614 185 2HD1 LEU 28 3HD1 LEU 28 7.739 4.161 4.161 186 3HD1 LEU 28 1HD1 LEU 28 8.981 3.363 3.363 187 1HD2 LEU 28 3HD2 LEU 28 7.937 0.706 0.706 188 2HD2 LEU 28 1HD2 LEU 28 9.256 1.795 1.795 189 3HD2 LEU 28 2HD2 LEU 28 7.839 2.423 2.423 190 H THR 29 H THR 29 2.966 1.578 1.578 191 HA THR 29 HA THR 29 1.817 3.562 3.562 192 HB THR 29 HB THR 29 0.429 1.530 1.530 193 HG1 THR 29 1HG THR 29 1.229 1.357 1.357 194 1HG2 THR 29 3HG2 THR 29 -0.538 3.092 3.092 195 2HG2 THR 29 1HG2 THR 29 -1.373 1.695 1.695 196 3HG2 THR 29 2HG2 THR 29 -1.162 3.166 3.166 197 H VAL 30 H VAL 30 1.504 3.034 3.034 198 HA VAL 30 HA VAL 30 -0.301 5.166 5.166 199 HB VAL 30 HB VAL 30 1.786 4.082 4.082 200 1HG1 VAL 30 2HG1 VAL 30 -0.693 5.775 5.775 201 2HG1 VAL 30 3HG1 VAL 30 0.307 5.020 5.020 202 3HG1 VAL 30 1HG1 VAL 30 0.971 6.289 6.289 203 1HG2 VAL 30 2HG2 VAL 30 -1.108 3.341 3.341 204 2HG2 VAL 30 3HG2 VAL 30 0.293 2.284 2.284 205 3HG2 VAL 30 1HG2 VAL 30 -0.320 2.926 2.926 206 H MET 31 H MET 31 3.309 5.235 5.235 207 HA MET 31 HA MET 31 3.687 7.957 7.957 208 1HB MET 31 1HB MET 31 5.198 5.794 5.794 209 2HB MET 31 2HB MET 31 5.687 7.245 7.245 210 1HG MET 31 1HG MET 31 7.058 7.597 7.597 211 2HG MET 31 2HG MET 31 5.635 8.116 8.116 212 1HE MET 31 3HE MET 31 8.393 5.546 5.546 213 2HE MET 31 1HE MET 31 7.871 4.116 4.116 214 3HE MET 31 2HE MET 31 7.049 4.544 4.544 215 H GLN 32 H GLN 32 3.058 6.183 6.183 216 HA GLN 32 HA GLN 32 3.643 8.358 8.358 217 1HB GLN 32 1HB GLN 32 3.151 5.621 5.621 218 2HB GLN 32 2HB GLN 32 1.750 6.350 6.350 219 1HG GLN 32 1HG GLN 32 3.393 6.115 6.115 220 2HG GLN 32 2HG GLN 32 3.464 7.835 7.835 221 1HE2 GLN 32 2HE2 GLN 32 6.819 7.467 7.467 222 2HE2 GLN 32 1HE2 GLN 32 5.396 8.505 8.505 223 H ASN 33 H ASN 33 0.551 7.194 7.194 224 HA ASN 33 HA ASN 33 -0.898 9.296 9.296 225 1HB ASN 33 1HB ASN 33 -2.467 8.116 8.116 226 2HB ASN 33 2HB ASN 33 -2.810 8.251 8.251 227 1HD2 ASN 33 2HD2 ASN 33 -2.121 4.687 4.687 228 2HD2 ASN 33 1HD2 ASN 33 -2.669 6.099 6.099 229 H CYS 34 H CYS 34 -0.079 8.529 8.529 230 HA CYS 34 HA CYS 34 -1.247 11.059 11.059 231 1HB CYS 34 1HB CYS 34 -2.170 9.426 9.426 232 2HB CYS 34 2HB CYS 34 -2.964 9.530 9.530 233 H GLU 35 H GLU 35 -0.815 10.822 10.822 234 HA GLU 35 HA GLU 35 2.147 11.038 11.038 235 1HB GLU 35 1HB GLU 35 0.580 13.021 13.021 236 2HB GLU 35 2HB GLU 35 0.188 12.471 12.471 237 1HG GLU 35 1HG GLU 35 2.465 12.755 12.755 238 2HG GLU 35 2HG GLU 35 3.083 12.878 12.878 239 HA PRO 36 HA PRO 36 1.614 7.863 7.863 240 1HB PRO 36 1HB PRO 36 3.706 6.233 6.233 241 2HB PRO 36 2HB PRO 36 2.102 6.191 6.191 242 1HG PRO 36 1HG PRO 36 4.621 7.621 7.621 243 2HG PRO 36 2HG PRO 36 3.595 6.519 6.519 244 1HD PRO 36 1HD PRO 36 3.411 9.273 9.273 245 2HD PRO 36 2HD PRO 36 2.004 8.214 8.214 246 HA PRO 37 HA PRO 37 3.374 6.192 6.192 247 1HB PRO 37 1HB PRO 37 3.845 6.251 6.251 248 2HB PRO 37 2HB PRO 37 5.163 6.094 6.094 249 1HG PRO 37 1HG PRO 37 4.225 8.617 8.617 250 2HG PRO 37 2HG PRO 37 5.905 8.031 8.031 251 1HD PRO 37 1HD PRO 37 4.853 9.900 9.900 252 2HD PRO 37 2HD PRO 37 5.958 8.647 8.647 253 H PHE 38 H PHE 38 1.101 5.656 5.656 254 HA PHE 38 HA PHE 38 -0.751 7.257 7.257 255 1HB PHE 38 1HB PHE 38 -1.323 5.478 5.478 256 2HB PHE 38 2HB PHE 38 -0.152 4.351 4.351 257 HD1 PHE 38 1HD PHE 38 -0.507 3.313 3.313 258 HD2 PHE 38 2HD PHE 38 -3.482 5.307 5.307 259 HE1 PHE 38 1HE PHE 38 -2.264 2.447 2.447 260 HE2 PHE 38 2HE PHE 38 -5.307 4.418 4.418 261 1HZ PHE 38 HZ PHE 38 -4.655 2.975 2.975 262 H SER 39 H SER 39 -1.280 7.478 7.478 263 HA SER 39 HA SER 39 0.599 6.568 6.568 264 1HB SER 39 1HB SER 39 0.773 9.033 9.033 265 2HB SER 39 2HB SER 39 -0.568 9.365 9.365 266 HG SER 39 HG SER 39 1.920 8.154 8.154 Start of MODEL 20 1 HA ASP 1 HA ASP 1 -7.920 -8.919 -8.919 2 1HB ASP 1 1HB ASP 1 -5.512 -9.148 -9.148 3 2HB ASP 1 2HB ASP 1 -6.001 -9.572 -9.572 4 H GLU 2 H GLU 2 -7.211 -8.589 -8.589 5 HA GLU 2 HA GLU 2 -8.010 -6.068 -6.068 6 1HB GLU 2 1HB GLU 2 -6.619 -8.297 -8.297 7 2HB GLU 2 2HB GLU 2 -7.546 -6.945 -6.945 8 1HG GLU 2 1HG GLU 2 -9.275 -8.407 -8.407 9 2HG GLU 2 2HG GLU 2 -9.414 -7.944 -7.944 10 H CYS 3 H CYS 3 -4.760 -7.366 -7.366 11 HA CYS 3 HA CYS 3 -3.277 -5.310 -5.310 12 1HB CYS 3 1HB CYS 3 -2.114 -7.279 -7.279 13 2HB CYS 3 2HB CYS 3 -2.683 -7.038 -7.038 14 H ALA 4 H ALA 4 -4.429 -5.625 -5.625 15 HA ALA 4 HA ALA 4 -3.589 -3.031 -3.031 16 1HB ALA 4 3HB ALA 4 -4.252 -4.894 -4.894 17 2HB ALA 4 1HB ALA 4 -5.950 -4.583 -4.583 18 3HB ALA 4 2HB ALA 4 -4.969 -3.319 -3.319 19 H ASN 5 H ASN 5 -6.617 -4.143 -4.143 20 HA ASN 5 HA ASN 5 -7.980 -1.606 -1.606 21 1HB ASN 5 1HB ASN 5 -8.172 -3.861 -3.861 22 2HB ASN 5 2HB ASN 5 -8.940 -2.305 -2.305 23 1HD2 ASN 5 2HD2 ASN 5 -10.518 -4.768 -4.768 24 2HD2 ASN 5 1HD2 ASN 5 -8.788 -4.920 -4.920 25 H ALA 6 H ALA 6 -5.674 -2.967 -2.967 26 HA ALA 6 HA ALA 6 -5.681 -0.781 -0.781 27 1HB ALA 6 1HB ALA 6 -4.490 -2.929 -2.929 28 2HB ALA 6 2HB ALA 6 -3.254 -2.490 -2.490 29 3HB ALA 6 3HB ALA 6 -3.485 -1.477 -1.477 30 H ALA 7 H ALA 7 -3.705 -1.350 -1.350 31 HA ALA 7 HA ALA 7 -2.252 1.070 1.070 32 1HB ALA 7 3HB ALA 7 -1.835 -0.823 -0.823 33 2HB ALA 7 1HB ALA 7 -3.257 -0.294 -0.294 34 3HB ALA 7 2HB ALA 7 -1.873 0.788 0.788 35 H ALA 8 H ALA 8 -5.429 0.367 0.367 36 HA ALA 8 HA ALA 8 -5.909 2.991 2.991 37 1HB ALA 8 3HB ALA 8 -7.141 0.953 0.953 38 2HB ALA 8 1HB ALA 8 -7.977 0.948 0.948 39 3HB ALA 8 2HB ALA 8 -8.203 2.297 2.297 40 H GLN 9 H GLN 9 -6.535 1.567 1.567 41 HA GLN 9 HA GLN 9 -7.954 3.845 3.845 42 1HB GLN 9 1HB GLN 9 -8.154 1.482 1.482 43 2HB GLN 9 2HB GLN 9 -6.600 1.646 1.646 44 1HG GLN 9 1HG GLN 9 -7.430 3.278 3.278 45 2HG GLN 9 2HG GLN 9 -8.828 3.668 3.668 46 1HE2 GLN 9 2HE2 GLN 9 -9.410 1.025 1.025 47 2HE2 GLN 9 1HE2 GLN 9 -8.248 2.341 2.341 48 H CYS 10 H CYS 10 -4.644 3.181 3.181 49 HA CYS 10 HA CYS 10 -2.721 4.198 4.198 50 1HB CYS 10 1HB CYS 10 -4.559 6.576 6.576 51 2HB CYS 10 2HB CYS 10 -2.846 6.728 6.728 52 H SER 11 H SER 11 -2.920 2.536 2.536 53 HA SER 11 HA SER 11 -1.747 3.916 3.916 54 1HB SER 11 1HB SER 11 -4.104 3.430 3.430 55 2HB SER 11 2HB SER 11 -3.958 1.789 1.789 56 HG SER 11 HG SER 11 -2.232 2.797 2.797 57 H ILE 12 H ILE 12 -0.216 2.921 2.921 58 HA ILE 12 HA ILE 12 1.178 0.956 0.956 59 HB ILE 12 HB ILE 12 1.987 2.765 2.765 60 1HG1 ILE 12 1HG1 ILE 12 1.400 4.150 4.150 61 2HG1 ILE 12 2HG1 ILE 12 3.142 4.002 4.002 62 1HG2 ILE 12 1HG2 ILE 12 3.676 1.031 1.031 63 2HG2 ILE 12 2HG2 ILE 12 4.312 2.241 2.241 64 3HG2 ILE 12 3HG2 ILE 12 3.465 0.815 0.815 65 1HD1 ILE 12 1HD1 ILE 12 2.785 2.130 2.130 66 2HD1 ILE 12 2HD1 ILE 12 1.154 2.784 2.784 67 3HD1 ILE 12 3HD1 ILE 12 2.548 3.809 3.809 68 H THR 13 H THR 13 -0.280 1.374 1.374 69 HA THR 13 HA THR 13 0.693 -1.238 -1.238 70 HB THR 13 HB THR 13 -1.545 0.477 0.477 71 HG1 THR 13 1HG THR 13 0.148 1.459 1.459 72 1HG2 THR 13 1HG2 THR 13 -0.267 -2.106 -2.106 73 2HG2 THR 13 2HG2 THR 13 -1.209 -0.994 -0.994 74 3HG2 THR 13 3HG2 THR 13 -1.984 -1.818 -1.818 75 H LEU 14 H LEU 14 -2.418 -0.101 -0.101 76 HA LEU 14 HA LEU 14 -3.449 -2.803 -2.803 77 1HB LEU 14 1HB LEU 14 -4.170 -0.379 -0.379 78 2HB LEU 14 2HB LEU 14 -4.853 -1.945 -1.945 79 HG LEU 14 HG LEU 14 -4.909 -0.868 -0.868 80 1HD1 LEU 14 1HD1 LEU 14 -6.728 -0.038 -0.038 81 2HD1 LEU 14 2HD1 LEU 14 -7.127 0.168 0.168 82 3HD1 LEU 14 3HD1 LEU 14 -5.749 1.039 1.039 83 1HD2 LEU 14 3HD2 LEU 14 -5.612 -3.171 -3.171 84 2HD2 LEU 14 1HD2 LEU 14 -6.967 -2.186 -2.186 85 3HD2 LEU 14 2HD2 LEU 14 -6.788 -2.444 -2.444 86 H CYS 15 H CYS 15 -1.244 -1.062 -1.062 87 HA CYS 15 HA CYS 15 -1.086 -3.084 -3.084 88 1HB CYS 15 1HB CYS 15 1.115 -1.286 -1.286 89 2HB CYS 15 2HB CYS 15 1.344 -2.417 -2.417 90 H ASN 16 H ASN 16 1.062 -2.650 -2.650 91 HA ASN 16 HA ASN 16 2.346 -5.102 -5.102 92 1HB ASN 16 1HB ASN 16 1.763 -3.772 -3.772 93 2HB ASN 16 2HB ASN 16 3.104 -4.852 -4.852 94 1HD2 ASN 16 2HD2 ASN 16 4.152 -1.171 -1.171 95 2HD2 ASN 16 1HD2 ASN 16 3.148 -2.000 -2.000 96 H LEU 17 H LEU 17 -0.748 -4.511 -4.511 97 HA LEU 17 HA LEU 17 -1.070 -6.793 -6.793 98 1HB LEU 17 1HB LEU 17 -2.586 -4.801 -4.801 99 2HB LEU 17 2HB LEU 17 -3.272 -5.555 -5.555 100 HG LEU 17 HG LEU 17 -4.633 -5.737 -5.737 101 1HD1 LEU 17 2HD1 LEU 17 -4.675 -7.547 -7.547 102 2HD1 LEU 17 3HD1 LEU 17 -3.671 -8.545 -8.545 103 3HD1 LEU 17 1HD1 LEU 17 -5.270 -8.031 -8.031 104 1HD2 LEU 17 3HD2 LEU 17 -2.854 -5.729 -5.729 105 2HD2 LEU 17 1HD2 LEU 17 -4.068 -6.991 -6.991 106 3HD2 LEU 17 2HD2 LEU 17 -2.480 -7.424 -7.424 107 H TYR 18 H TYR 18 -1.395 -6.617 -6.617 108 HA TYR 18 HA TYR 18 -1.473 -9.637 -9.637 109 1HB TYR 18 1HB TYR 18 -3.041 -7.657 -7.657 110 2HB TYR 18 2HB TYR 18 -2.993 -9.389 -9.389 111 HD1 TYR 18 2HD TYR 18 -3.337 -10.508 -10.508 112 HD2 TYR 18 1HD TYR 18 -5.323 -7.289 -7.289 113 HE1 TYR 18 2HE TYR 18 -5.399 -11.002 -11.002 114 HE2 TYR 18 1HE TYR 18 -7.439 -7.910 -7.910 115 HH TYR 18 HH TYR 18 -7.615 -10.496 -10.496 116 H CYS 19 H CYS 19 0.102 -6.829 -6.829 117 HA CYS 19 HA CYS 19 0.052 -7.807 -7.807 118 1HB CYS 19 1HB CYS 19 1.645 -5.647 -5.647 119 2HB CYS 19 2HB CYS 19 1.796 -6.038 -6.038 120 H GLY 20 H GLY 20 2.456 -8.596 -8.596 121 1HA GLY 20 1HA GLY 20 4.389 -9.821 -9.821 122 2HA GLY 20 2HA GLY 20 3.620 -10.674 -10.674 123 HA PRO 21 HA PRO 21 7.255 -8.678 -8.678 124 1HB PRO 21 1HB PRO 21 7.018 -9.649 -9.649 125 2HB PRO 21 2HB PRO 21 7.508 -10.692 -10.692 126 1HG PRO 21 1HG PRO 21 4.728 -10.397 -10.397 127 2HG PRO 21 2HG PRO 21 5.606 -11.909 -11.909 128 1HD PRO 21 1HD PRO 21 3.783 -10.864 -10.864 129 2HD PRO 21 2HD PRO 21 5.251 -11.694 -11.694 130 H LEU 22 H LEU 22 3.874 -8.463 -8.463 131 HA LEU 22 HA LEU 22 4.372 -6.158 -6.158 132 1HB LEU 22 1HB LEU 22 1.753 -7.019 -7.019 133 2HB LEU 22 2HB LEU 22 1.997 -5.903 -5.903 134 HG LEU 22 HG LEU 22 2.374 -8.919 -8.919 135 1HD1 LEU 22 3HD1 LEU 22 0.082 -8.002 -8.002 136 2HD1 LEU 22 1HD1 LEU 22 0.633 -6.969 -6.969 137 3HD1 LEU 22 2HD1 LEU 22 0.623 -8.721 -8.721 138 1HD2 LEU 22 2HD2 LEU 22 3.137 -6.931 -6.931 139 2HD2 LEU 22 3HD2 LEU 22 4.239 -8.039 -8.039 140 3HD2 LEU 22 1HD2 LEU 22 2.993 -8.689 -8.689 141 H ILE 23 H ILE 23 4.690 -6.469 -6.469 142 HA ILE 23 HA ILE 23 3.345 -4.133 -4.133 143 HB ILE 23 HB ILE 23 5.937 -5.462 -5.462 144 1HG1 ILE 23 1HG1 ILE 23 3.210 -5.030 -5.030 145 2HG1 ILE 23 2HG1 ILE 23 3.639 -6.488 -6.488 146 1HG2 ILE 23 3HG2 ILE 23 4.557 -3.012 -3.012 147 2HG2 ILE 23 1HG2 ILE 23 5.851 -3.914 -3.914 148 3HG2 ILE 23 2HG2 ILE 23 6.194 -3.045 -3.045 149 1HD1 ILE 23 3HD1 ILE 23 5.407 -6.997 -6.997 150 2HD1 ILE 23 1HD1 ILE 23 4.871 -5.607 -5.607 151 3HD1 ILE 23 2HD1 ILE 23 3.779 -6.967 -6.967 152 H GLU 24 H GLU 24 6.492 -4.550 -4.550 153 HA GLU 24 HA GLU 24 7.126 -1.791 -1.791 154 1HB GLU 24 1HB GLU 24 8.724 -3.718 -3.718 155 2HB GLU 24 2HB GLU 24 7.776 -4.045 -4.045 156 1HG GLU 24 1HG GLU 24 8.354 -1.622 -1.622 157 2HG GLU 24 2HG GLU 24 9.530 -1.627 -1.627 158 H ILE 25 H ILE 25 5.636 -3.702 -3.702 159 HA ILE 25 HA ILE 25 5.205 -1.566 -1.566 160 HB ILE 25 HB ILE 25 3.768 -4.191 -4.191 161 1HG1 ILE 25 1HG1 ILE 25 4.712 -4.924 -4.924 162 2HG1 ILE 25 2HG1 ILE 25 5.388 -3.325 -3.325 163 1HG2 ILE 25 3HG2 ILE 25 3.088 -2.257 -2.257 164 2HG2 ILE 25 1HG2 ILE 25 2.585 -3.954 -3.954 165 3HG2 ILE 25 2HG2 ILE 25 2.014 -2.826 -2.826 166 1HD1 ILE 25 1HD1 ILE 25 6.251 -5.161 -5.161 167 2HD1 ILE 25 2HD1 ILE 25 7.062 -5.018 -5.018 168 3HD1 ILE 25 3HD1 ILE 25 7.027 -3.627 -3.627 169 H CYS 26 H CYS 26 3.366 -2.560 -2.560 170 HA CYS 26 HA CYS 26 1.016 -0.952 -0.952 171 1HB CYS 26 1HB CYS 26 1.197 -3.029 -3.029 172 2HB CYS 26 2HB CYS 26 2.003 -2.126 -2.126 173 H GLU 27 H GLU 27 4.012 -0.726 -0.726 174 HA GLU 27 HA GLU 27 3.391 1.752 1.752 175 1HB GLU 27 1HB GLU 27 5.390 -0.029 -0.029 176 2HB GLU 27 2HB GLU 27 6.190 0.941 0.941 177 1HG GLU 27 1HG GLU 27 5.899 2.937 2.937 178 2HG GLU 27 2HG GLU 27 4.931 1.991 1.991 179 H LEU 28 H LEU 28 5.004 0.829 0.829 180 HA LEU 28 HA LEU 28 5.858 3.357 3.357 181 1HB LEU 28 1HB LEU 28 5.708 0.564 0.564 182 2HB LEU 28 2HB LEU 28 5.418 1.648 1.648 183 HG LEU 28 HG LEU 28 7.733 1.026 1.026 184 1HD1 LEU 28 1HD1 LEU 28 6.951 3.397 3.397 185 2HD1 LEU 28 2HD1 LEU 28 7.655 3.977 3.977 186 3HD1 LEU 28 3HD1 LEU 28 8.666 3.141 3.141 187 1HD2 LEU 28 3HD2 LEU 28 7.840 0.702 0.702 188 2HD2 LEU 28 1HD2 LEU 28 9.152 1.744 1.744 189 3HD2 LEU 28 2HD2 LEU 28 7.771 2.454 2.454 190 H THR 29 H THR 29 2.960 1.487 1.487 191 HA THR 29 HA THR 29 1.913 3.393 3.393 192 HB THR 29 HB THR 29 0.433 1.530 1.530 193 HG1 THR 29 1HG THR 29 1.988 0.494 0.494 194 1HG2 THR 29 2HG2 THR 29 -0.452 2.698 2.698 195 2HG2 THR 29 3HG2 THR 29 -1.358 1.515 1.515 196 3HG2 THR 29 1HG2 THR 29 -1.099 3.157 3.157 197 H VAL 30 H VAL 30 1.456 3.082 3.082 198 HA VAL 30 HA VAL 30 -0.227 5.406 5.406 199 HB VAL 30 HB VAL 30 1.518 3.882 3.882 200 1HG1 VAL 30 3HG1 VAL 30 0.994 6.162 6.162 201 2HG1 VAL 30 1HG1 VAL 30 -0.723 5.835 5.835 202 3HG1 VAL 30 2HG1 VAL 30 0.214 4.873 4.873 203 1HG2 VAL 30 2HG2 VAL 30 -1.453 3.806 3.806 204 2HG2 VAL 30 3HG2 VAL 30 -0.316 2.526 2.526 205 3HG2 VAL 30 1HG2 VAL 30 -0.680 2.895 2.895 206 H MET 31 H MET 31 3.307 4.958 4.958 207 HA MET 31 HA MET 31 4.044 7.584 7.584 208 1HB MET 31 1HB MET 31 5.327 5.212 5.212 209 2HB MET 31 2HB MET 31 5.797 6.188 6.188 210 1HG MET 31 1HG MET 31 6.654 7.893 7.893 211 2HG MET 31 2HG MET 31 6.102 7.005 7.005 212 1HE MET 31 2HE MET 31 7.193 4.882 4.882 213 2HE MET 31 3HE MET 31 6.864 3.971 3.971 214 3HE MET 31 1HE MET 31 8.493 3.958 3.958 215 H GLN 32 H GLN 32 3.272 6.122 6.122 216 HA GLN 32 HA GLN 32 4.030 8.303 8.303 217 1HB GLN 32 1HB GLN 32 3.572 5.786 5.786 218 2HB GLN 32 2HB GLN 32 1.917 6.354 6.354 219 1HG GLN 32 1HG GLN 32 2.746 8.101 8.101 220 2HG GLN 32 2HG GLN 32 4.396 7.480 7.480 221 1HE2 GLN 32 2HE2 GLN 32 3.745 4.460 4.460 222 2HE2 GLN 32 1HE2 GLN 32 4.676 5.054 5.054 223 H ASN 33 H ASN 33 0.934 7.432 7.432 224 HA ASN 33 HA ASN 33 -0.358 9.781 9.781 225 1HB ASN 33 1HB ASN 33 -2.170 8.552 8.552 226 2HB ASN 33 2HB ASN 33 -0.959 7.246 7.246 227 1HD2 ASN 33 2HD2 ASN 33 -2.327 5.532 5.532 228 2HD2 ASN 33 1HD2 ASN 33 -0.789 5.926 5.926 229 H CYS 34 H CYS 34 0.679 8.941 8.941 230 HA CYS 34 HA CYS 34 -1.058 10.821 10.821 231 1HB CYS 34 1HB CYS 34 -0.631 7.874 7.874 232 2HB CYS 34 2HB CYS 34 -1.191 9.027 9.027 233 H GLU 35 H GLU 35 0.147 10.900 10.900 234 HA GLU 35 HA GLU 35 3.089 10.576 10.576 235 1HB GLU 35 1HB GLU 35 2.340 12.963 12.963 236 2HB GLU 35 2HB GLU 35 1.912 12.768 12.768 237 1HG GLU 35 1HG GLU 35 4.266 11.996 11.996 238 2HG GLU 35 2HG GLU 35 4.621 12.158 12.158 239 HA PRO 36 HA PRO 36 1.807 7.984 7.984 240 1HB PRO 36 1HB PRO 36 3.466 5.843 5.843 241 2HB PRO 36 2HB PRO 36 1.877 6.089 6.089 242 1HG PRO 36 1HG PRO 36 4.663 6.741 6.741 243 2HG PRO 36 2HG PRO 36 3.362 5.913 5.913 244 1HD PRO 36 1HD PRO 36 3.939 8.601 8.601 245 2HD PRO 36 2HD PRO 36 2.279 7.992 7.992 246 HA PRO 37 HA PRO 37 2.958 6.028 6.028 247 1HB PRO 37 1HB PRO 37 3.218 6.113 6.113 248 2HB PRO 37 2HB PRO 37 4.568 5.664 5.664 249 1HG PRO 37 1HG PRO 37 4.079 8.377 8.377 250 2HG PRO 37 2HG PRO 37 5.587 7.421 7.421 251 1HD PRO 37 1HD PRO 37 5.126 9.375 9.375 252 2HD PRO 37 2HD PRO 37 5.988 7.868 7.868 253 H PHE 38 H PHE 38 0.611 5.875 5.875 254 HA PHE 38 HA PHE 38 -0.747 8.366 8.366 255 1HB PHE 38 1HB PHE 38 -1.839 7.194 7.194 256 2HB PHE 38 2HB PHE 38 -1.386 5.667 5.667 257 HD1 PHE 38 1HD PHE 38 -2.501 4.743 4.743 258 HD2 PHE 38 2HD PHE 38 -3.943 8.134 8.134 259 HE1 PHE 38 1HE PHE 38 -4.802 4.281 4.281 260 HE2 PHE 38 2HE PHE 38 -6.262 7.657 7.657 261 1HZ PHE 38 HZ PHE 38 -6.689 5.715 5.715 262 H SER 39 H SER 39 -2.193 8.353 8.353 263 HA SER 39 HA SER 39 -0.924 7.417 7.417 264 1HB SER 39 1HB SER 39 -3.164 8.626 8.626 265 2HB SER 39 2HB SER 39 -1.768 9.522 9.522 266 HG SER 39 HG SER 39 -4.142 8.900 8.900
Contact the webmaster for help, if required. Sunday, May 19, 2024 2:31:21 PM GMT (wattos1)