NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1983 | 1bah | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PCA 1 HA PGL 1 -4.028 -7.431 -6.735 2 1HB PCA 1 HB2 PGL 1 -3.722 -9.072 -4.404 3 2HB PCA 1 HB3 PGL 1 -4.835 -9.357 -5.776 4 1HG PCA 1 HG2 PGL 1 -2.126 -10.662 -5.275 5 2HG PCA 1 HG3 PGL 1 -3.636 -11.360 -6.020 6 HN PCA 1 HN PGL 1 -2.295 -8.158 -8.252 7 H PHE 2 HN PHE 2 -1.557 -6.370 -7.390 8 HA PHE 2 HA PHE 2 -0.492 -5.308 -4.861 9 1HB PHE 2 HB2 PHE 2 1.003 -6.119 -7.455 10 2HB PHE 2 HB3 PHE 2 1.748 -5.143 -6.133 11 HD1 PHE 2 HD2 PHE 2 1.823 -6.113 -3.781 12 HD2 PHE 2 HD1 PHE 2 0.926 -8.502 -7.245 13 HE1 PHE 2 HE2 PHE 2 2.408 -8.162 -2.524 14 HE2 PHE 2 HE1 PHE 2 1.503 -10.545 -5.983 15 HZ PHE 2 HZ PHE 2 2.246 -10.383 -3.623 16 H THR 3 HN THR 3 0.418 -3.123 -5.172 17 HA THR 3 HA THR 3 -1.046 -1.512 -7.145 18 HB THR 3 HB THR 3 -0.560 0.313 -5.338 19 HG1 THR 3 HG1 THR 3 0.172 -0.338 -3.552 20 1HG2 THR 3 HG23 THR 3 -2.593 -1.954 -4.828 21 2HG2 THR 3 HG21 THR 3 -2.608 -0.330 -4.050 22 3HG2 THR 3 HG22 THR 3 -2.833 -0.474 -5.838 23 H ASN 4 HN ASN 4 0.187 0.336 -7.992 24 HA ASN 4 HA ASN 4 3.087 0.191 -7.786 25 1HB ASN 4 HB2 ASN 4 3.293 0.333 -10.303 26 2HB ASN 4 HB3 ASN 4 2.738 -1.248 -9.690 27 1HD2 ASN 4 HD22 ASN 4 0.507 0.744 -12.454 28 2HD2 ASN 4 HD21 ASN 4 2.068 1.283 -11.932 29 H VAL 5 HN VAL 5 1.689 1.878 -6.369 30 HA VAL 5 HA VAL 5 1.652 4.476 -7.737 31 HB VAL 5 HB VAL 5 0.959 4.060 -4.800 32 1HG1 VAL 5 HG13 VAL 5 -0.083 5.897 -7.077 33 2HG1 VAL 5 HG11 VAL 5 -0.670 5.900 -5.372 34 3HG1 VAL 5 HG12 VAL 5 1.005 6.422 -5.740 35 1HG2 VAL 5 HG22 VAL 5 -0.765 3.254 -7.210 36 2HG2 VAL 5 HG23 VAL 5 -0.254 2.270 -5.769 37 3HG2 VAL 5 HG21 VAL 5 -1.405 3.632 -5.567 38 H SER 6 HN SER 6 2.604 6.142 -5.730 39 HA SER 6 HA SER 6 5.339 5.201 -5.112 40 1HB SER 6 HB2 SER 6 5.983 7.660 -5.053 41 2HB SER 6 HB3 SER 6 5.672 6.914 -6.647 42 HG SER 6 HG SER 6 3.808 8.458 -5.172 43 H CYS 7 HN CYS 7 5.905 5.088 -3.091 44 HA CYS 7 HA CYS 7 4.370 6.542 -0.982 45 1HB CYS 7 HB2 CYS 7 3.224 4.574 -1.045 46 2HB CYS 7 HB3 CYS 7 4.654 3.554 -1.067 47 H THR 8 HN THR 8 5.500 6.970 0.850 48 HA THR 8 HA THR 8 8.376 6.387 0.993 49 HB THR 8 HB THR 8 8.697 8.697 2.021 50 HG1 THR 8 HG1 THR 8 6.237 9.123 0.662 51 1HG2 THR 8 HG23 THR 8 9.492 8.013 -0.265 52 2HG2 THR 8 HG21 THR 8 7.922 8.558 -0.967 53 3HG2 THR 8 HG22 THR 8 9.019 9.749 -0.182 54 H THR 9 HN THR 9 5.387 7.468 2.730 55 HA THR 9 HA THR 9 6.398 6.277 5.230 56 HB THR 9 HB THR 9 4.575 7.726 6.301 57 HG1 THR 9 HG1 THR 9 3.499 8.212 4.320 58 1HG2 THR 9 HG21 THR 9 7.020 8.210 6.371 59 2HG2 THR 9 HG22 THR 9 6.894 9.107 4.806 60 3HG2 THR 9 HG23 THR 9 6.024 9.713 6.270 61 H SER 10 HN SER 10 5.327 4.601 6.169 62 HA SER 10 HA SER 10 3.171 3.336 4.704 63 1HB SER 10 HB2 SER 10 3.569 1.398 6.273 64 2HB SER 10 HB3 SER 10 4.954 1.871 5.240 65 HG SER 10 HG SER 10 4.591 2.642 7.939 66 H LYS 11 HN LYS 11 1.692 5.041 5.119 67 HA LYS 11 HA LYS 11 -0.243 4.410 6.955 68 1HB LYS 11 HB2 LYS 11 1.308 5.685 8.606 69 2HB LYS 11 HB3 LYS 11 0.908 7.166 7.694 70 1HG LYS 11 HG2 LYS 11 -1.574 6.696 8.190 71 2HG LYS 11 HG3 LYS 11 -1.063 5.195 9.040 72 1HD LYS 11 HD2 LYS 11 0.277 6.623 10.650 73 2HD LYS 11 HD3 LYS 11 -0.397 8.094 9.838 74 1HE LYS 11 HE2 LYS 11 -2.740 7.294 10.435 75 2HE LYS 11 HE3 LYS 11 -1.993 5.882 11.309 76 1HZ LYS 11 HZ3 LYS 11 -0.842 7.463 12.718 77 2HZ LYS 11 HZ1 LYS 11 -1.596 8.761 11.919 78 3HZ LYS 11 HZ2 LYS 11 -2.530 7.648 12.801 79 H GLU 12 HN GLU 12 1.360 6.823 4.818 80 HA GLU 12 HA GLU 12 -0.492 8.355 3.821 81 1HB GLU 12 HB2 GLU 12 2.048 8.061 3.546 82 2HB GLU 12 HB3 GLU 12 1.730 6.909 2.234 83 1HG GLU 12 HG2 GLU 12 0.481 8.824 1.013 84 2HG GLU 12 HG3 GLU 12 0.957 9.888 2.397 85 1HN ABA 13 HN ABA 13 0.163 5.038 2.651 86 HA ABA 13 HA ABA 13 -1.741 5.271 0.417 87 1HB ABA 13 HB3 ABA 13 0.561 5.016 -0.220 88 2HB ABA 13 HB2 ABA 13 -0.370 3.563 -0.646 89 1HG ABA 13 HG1 ABA 13 1.469 3.858 1.835 90 2HG ABA 13 HG2 ABA 13 0.681 2.319 1.282 91 3HG ABA 13 HG3 ABA 13 1.920 3.138 0.245 92 H TRP 14 HN TRP 14 -2.568 4.649 3.207 93 HA TRP 14 HA TRP 14 -3.313 1.863 3.202 94 1HB TRP 14 HB2 TRP 14 -3.704 4.159 5.194 95 2HB TRP 14 HB3 TRP 14 -4.446 2.546 5.434 96 HD1 TRP 14 HD1 TRP 14 -0.728 2.904 4.128 97 HE1 TRP 14 HE1 TRP 14 0.653 1.490 5.668 98 HE3 TRP 14 HE3 TRP 14 -4.272 1.954 7.710 99 HZ2 TRP 14 HZ2 TRP 14 0.370 0.138 8.150 100 HZ3 TRP 14 HZ3 TRP 14 -3.657 0.489 9.603 101 HH2 TRP 14 HH2 TRP 14 -1.386 -0.485 9.754 102 H SER 15 HN SER 15 -4.754 4.864 2.064 103 HA SER 15 HA SER 15 -7.446 3.829 1.943 104 1HB SER 15 HB2 SER 15 -7.963 6.100 0.971 105 2HB SER 15 HB3 SER 15 -7.270 6.125 2.619 106 HG SER 15 HG SER 15 -6.346 7.661 1.232 107 H VAL 16 HN VAL 16 -4.610 3.321 0.293 108 HA VAL 16 HA VAL 16 -5.749 3.204 -2.397 109 HB VAL 16 HB VAL 16 -2.893 2.610 -1.458 110 1HG1 VAL 16 HG11 VAL 16 -4.095 3.104 -4.275 111 2HG1 VAL 16 HG12 VAL 16 -2.354 2.858 -3.877 112 3HG1 VAL 16 HG13 VAL 16 -3.511 1.513 -3.653 113 1HG2 VAL 16 HG23 VAL 16 -4.168 5.154 -2.664 114 2HG2 VAL 16 HG21 VAL 16 -3.501 4.986 -0.994 115 3HG2 VAL 16 HG22 VAL 16 -2.403 4.881 -2.413 116 H CYS 17 HN CYS 17 -4.449 1.086 0.245 117 HA CYS 17 HA CYS 17 -5.005 -1.384 -0.924 118 1HB CYS 17 HB2 CYS 17 -4.510 -0.281 1.880 119 2HB CYS 17 HB3 CYS 17 -5.075 -1.965 1.782 120 H GLN 18 HN GLN 18 -7.180 0.955 0.536 121 HA GLN 18 HA GLN 18 -9.241 -0.861 1.314 122 1HB GLN 18 HB2 GLN 18 -8.402 1.320 2.408 123 2HB GLN 18 HB3 GLN 18 -9.309 2.228 1.179 124 1HG GLN 18 HG2 GLN 18 -10.403 0.101 3.114 125 2HG GLN 18 HG3 GLN 18 -10.418 1.886 3.425 126 1HE2 GLN 18 HE22 GLN 18 -13.013 2.563 0.915 127 2HE2 GLN 18 HE21 GLN 18 -11.483 3.181 1.451 128 H ARG 19 HN ARG 19 -8.821 1.742 -1.049 129 HA ARG 19 HA ARG 19 -11.288 1.517 -2.371 130 1HB ARG 19 HB2 ARG 19 -8.688 2.978 -3.016 131 2HB ARG 19 HB3 ARG 19 -10.138 3.171 -4.055 132 1HG ARG 19 HG2 ARG 19 -10.529 3.627 -1.087 133 2HG ARG 19 HG3 ARG 19 -9.558 4.820 -2.004 134 1HD ARG 19 HD2 ARG 19 -11.906 5.552 -1.947 135 2HD ARG 19 HD3 ARG 19 -11.380 5.179 -3.640 136 HE ARG 19 HE ARG 19 -12.857 3.136 -1.925 137 1HH1 ARG 19 HH22 ARG 19 -12.724 5.028 -4.961 138 2HH1 ARG 19 HH21 ARG 19 -14.118 4.255 -5.643 139 1HH2 ARG 19 HH12 ARG 19 -14.714 2.144 -2.854 140 2HH2 ARG 19 HH11 ARG 19 -15.258 2.601 -4.436 141 H LEU 20 HN LEU 20 -8.199 -0.149 -3.036 142 HA LEU 20 HA LEU 20 -8.908 -0.962 -5.691 143 1HB LEU 20 HB2 LEU 20 -6.629 -0.244 -4.617 144 2HB LEU 20 HB3 LEU 20 -6.550 -1.879 -3.945 145 HG LEU 20 HG LEU 20 -5.240 -1.784 -5.815 146 1HD1 LEU 20 HD13 LEU 20 -6.649 -3.883 -5.903 147 2HD1 LEU 20 HD11 LEU 20 -7.753 -3.058 -7.067 148 3HD1 LEU 20 HD12 LEU 20 -6.042 -3.373 -7.519 149 1HD2 LEU 20 HD22 LEU 20 -6.057 0.353 -6.804 150 2HD2 LEU 20 HD23 LEU 20 -5.835 -0.897 -8.086 151 3HD2 LEU 20 HD21 LEU 20 -7.489 -0.491 -7.500 152 H HIS 21 HN HIS 21 -8.198 -2.543 -2.495 153 HA HIS 21 HA HIS 21 -9.672 -4.946 -3.304 154 1HB HIS 21 HB2 HIS 21 -7.560 -4.514 -1.106 155 2HB HIS 21 HB3 HIS 21 -8.380 -6.075 -1.490 156 HD1 HIS 21 HD1 HIS 21 -7.729 -7.078 -3.956 157 HD2 HIS 21 HD2 HIS 21 -5.425 -3.807 -2.690 158 HE1 HIS 21 HE1 HIS 21 -5.634 -6.964 -5.414 159 H ASN 22 HN ASN 22 -9.079 -4.539 0.015 160 HA ASN 22 HA ASN 22 -11.070 -2.943 0.976 161 1HB ASN 22 HB2 ASN 22 -12.820 -4.699 1.795 162 2HB ASN 22 HB3 ASN 22 -12.922 -4.148 0.110 163 1HD2 ASN 22 HD22 ASN 22 -12.809 -7.366 -1.265 164 2HD2 ASN 22 HD21 ASN 22 -13.254 -5.694 -1.396 165 H THR 23 HN THR 23 -8.679 -2.947 1.888 166 HA THR 23 HA THR 23 -8.828 -4.343 4.418 167 HB THR 23 HB THR 23 -7.647 -5.900 2.796 168 HG1 THR 23 HG1 THR 23 -7.467 -5.999 5.022 169 1HG2 THR 23 HG21 THR 23 -6.262 -4.204 1.550 170 2HG2 THR 23 HG22 THR 23 -5.322 -3.874 3.061 171 3HG2 THR 23 HG23 THR 23 -5.259 -5.493 2.316 172 H SER 24 HN SER 24 -6.548 -3.606 5.595 173 HA SER 24 HA SER 24 -6.077 -0.780 5.198 174 1HB SER 24 HB2 SER 24 -7.259 -1.902 7.835 175 2HB SER 24 HB3 SER 24 -6.599 -0.233 7.610 176 HG SER 24 HG SER 24 -8.197 0.113 6.079 177 H ARG 25 HN ARG 25 -4.832 -3.625 5.083 178 HA ARG 25 HA ARG 25 -2.509 -3.058 6.825 179 1HB ARG 25 HB2 ARG 25 -3.392 -5.768 5.662 180 2HB ARG 25 HB3 ARG 25 -1.829 -5.426 6.474 181 1HG ARG 25 HG2 ARG 25 -2.985 -6.426 8.157 182 2HG ARG 25 HG3 ARG 25 -3.208 -4.684 8.539 183 1HD ARG 25 HD2 ARG 25 -5.331 -5.915 8.915 184 2HD ARG 25 HD3 ARG 25 -5.535 -4.808 7.514 185 HE ARG 25 HE ARG 25 -5.435 -6.647 5.970 186 1HH1 ARG 25 HH12 ARG 25 -5.265 -7.818 9.349 187 2HH1 ARG 25 HH11 ARG 25 -5.622 -9.463 8.923 188 1HH2 ARG 25 HH22 ARG 25 -5.904 -8.832 5.441 189 2HH2 ARG 25 HH21 ARG 25 -5.990 -10.046 6.678 190 H GLY 26 HN GLY 26 -0.837 -2.320 5.785 191 1HA GLY 26 HA1 GLY 26 -0.104 -2.888 3.127 192 2HA GLY 26 HA2 GLY 26 -0.990 -1.302 3.300 193 H LYS 27 HN LYS 27 1.949 -2.178 2.871 194 HA LYS 27 HA LYS 27 3.102 -0.099 4.483 195 1HB LYS 27 HB2 LYS 27 3.603 -1.908 6.011 196 2HB LYS 27 HB3 LYS 27 3.980 -3.030 4.683 197 1HG LYS 27 HG2 LYS 27 6.050 -1.734 4.162 198 2HG LYS 27 HG3 LYS 27 5.668 -0.623 5.538 199 1HD LYS 27 HD2 LYS 27 7.302 -2.129 6.347 200 2HD LYS 27 HD3 LYS 27 5.752 -2.764 7.021 201 1HE LYS 27 HE2 LYS 27 5.711 -4.544 5.237 202 2HE LYS 27 HE3 LYS 27 7.198 -3.834 4.487 203 1HZ LYS 27 HZ3 LYS 27 8.369 -4.304 6.540 204 2HZ LYS 27 HZ1 LYS 27 6.974 -5.006 7.211 205 3HZ LYS 27 HZ2 LYS 27 7.711 -5.710 5.851 206 H CYS 28 HN CYS 28 5.154 0.501 3.350 207 HA CYS 28 HA CYS 28 5.190 -0.391 0.528 208 1HB CYS 28 HB2 CYS 28 5.671 1.955 -0.172 209 2HB CYS 28 HB3 CYS 28 4.065 1.743 0.568 210 H MET 29 HN MET 29 7.329 0.379 -0.520 211 HA MET 29 HA MET 29 9.342 -0.958 1.087 212 1HB MET 29 HB2 MET 29 8.320 -1.769 -1.154 213 2HB MET 29 HB3 MET 29 9.411 -0.606 -1.937 214 1HG MET 29 HG2 MET 29 11.352 -1.779 -0.703 215 2HG MET 29 HG3 MET 29 10.141 -2.873 0.038 216 1HE MET 29 HE2 MET 29 12.419 -4.247 -1.107 217 2HE MET 29 HE3 MET 29 10.910 -5.079 -0.591 218 3HE MET 29 HE1 MET 29 11.680 -5.508 -2.155 219 H ASN 30 HN ASN 30 10.947 0.405 -1.395 220 HA ASN 30 HA ASN 30 11.977 2.595 0.148 221 1HB ASN 30 HB2 ASN 30 13.666 2.800 -1.731 222 2HB ASN 30 HB3 ASN 30 13.644 1.262 -0.823 223 1HD2 ASN 30 HD22 ASN 30 13.088 1.219 -4.869 224 2HD2 ASN 30 HD21 ASN 30 13.368 2.688 -3.992 225 H LYS 31 HN LYS 31 10.057 2.223 -2.823 226 HA LYS 31 HA LYS 31 9.581 5.128 -2.917 227 1HB LYS 31 HB2 LYS 31 10.668 3.339 -5.159 228 2HB LYS 31 HB3 LYS 31 10.016 4.979 -5.457 229 1HG LYS 31 HG2 LYS 31 11.760 6.046 -4.158 230 2HG LYS 31 HG3 LYS 31 12.434 4.458 -3.662 231 1HD LYS 31 HD2 LYS 31 13.826 5.259 -5.399 232 2HD LYS 31 HD3 LYS 31 12.873 3.869 -6.040 233 1HE LYS 31 HE2 LYS 31 11.361 5.463 -7.273 234 2HE LYS 31 HE3 LYS 31 12.264 6.866 -6.569 235 1HZ LYS 31 HZ3 LYS 31 13.403 4.753 -8.323 236 2HZ LYS 31 HZ1 LYS 31 12.977 6.330 -8.792 237 3HZ LYS 31 HZ2 LYS 31 14.236 6.085 -7.678 238 H LYS 32 HN LYS 32 7.907 2.058 -2.859 239 HA LYS 32 HA LYS 32 5.824 3.199 -4.560 240 1HB LYS 32 HB2 LYS 32 5.573 1.429 -5.984 241 2HB LYS 32 HB3 LYS 32 7.288 1.917 -6.102 242 1HG LYS 32 HG2 LYS 32 7.904 -0.004 -4.525 243 2HG LYS 32 HG3 LYS 32 6.188 -0.560 -4.639 244 1HD LYS 32 HD2 LYS 32 6.420 -0.574 -7.141 245 2HD LYS 32 HD3 LYS 32 8.179 -0.277 -6.949 246 1HE LYS 32 HE2 LYS 32 6.581 -2.724 -5.876 247 2HE LYS 32 HE3 LYS 32 7.712 -2.724 -7.288 248 1HZ LYS 32 HZ2 LYS 32 8.443 -2.150 -4.459 249 2HZ LYS 32 HZ3 LYS 32 8.713 -3.597 -5.301 250 3HZ LYS 32 HZ1 LYS 32 9.503 -2.175 -5.787 251 1HN ABA 33 HN ABA 33 3.742 2.185 -4.303 252 HA ABA 33 HA ABA 33 3.219 1.504 -1.594 253 1HB ABA 33 HB3 ABA 33 1.459 1.862 -4.074 254 2HB ABA 33 HB2 ABA 33 1.888 3.088 -2.832 255 1HG ABA 33 HG1 ABA 33 0.790 1.684 -1.079 256 2HG ABA 33 HG2 ABA 33 -0.339 2.337 -2.337 257 3HG ABA 33 HG3 ABA 33 0.132 0.600 -2.332 258 H ARG 34 HN ARG 34 2.547 -0.504 -0.806 259 HA ARG 34 HA ARG 34 2.067 -2.717 -2.652 260 1HB ARG 34 HB2 ARG 34 4.542 -2.606 -1.691 261 2HB ARG 34 HB3 ARG 34 3.820 -3.181 -0.168 262 1HG ARG 34 HG2 ARG 34 2.927 -5.205 -1.403 263 2HG ARG 34 HG3 ARG 34 3.577 -4.518 -2.942 264 1HD ARG 34 HD2 ARG 34 5.906 -4.616 -1.984 265 2HD ARG 34 HD3 ARG 34 5.226 -5.390 -0.477 266 HE ARG 34 HE ARG 34 4.311 -6.864 -2.782 267 1HH1 ARG 34 HH12 ARG 34 7.313 -6.221 -0.981 268 2HH1 ARG 34 HH11 ARG 34 8.087 -7.705 -1.450 269 1HH2 ARG 34 HH22 ARG 34 5.360 -8.856 -3.414 270 2HH2 ARG 34 HH21 ARG 34 6.962 -9.213 -2.846 271 H CYS 35 HN CYS 35 1.145 -4.611 -1.070 272 HA CYS 35 HA CYS 35 -0.536 -3.492 0.981 273 1HB CYS 35 HB2 CYS 35 -1.677 -3.293 -1.438 274 2HB CYS 35 HB3 CYS 35 -1.924 -5.047 -1.292 275 H TYR 36 HN TYR 36 -1.375 -5.175 2.274 276 HA TYR 36 HA TYR 36 0.128 -7.704 2.167 277 1HB TYR 36 HB2 TYR 36 0.415 -5.318 4.069 278 2HB TYR 36 HB3 TYR 36 0.768 -6.969 4.729 279 HD1 TYR 36 HD2 TYR 36 2.226 -8.345 2.629 280 HD2 TYR 36 HD1 TYR 36 2.390 -4.214 3.799 281 HE1 TYR 36 HE2 TYR 36 4.554 -8.195 1.818 282 HE2 TYR 36 HE1 TYR 36 4.664 -4.043 2.975 283 HH TYR 36 HH TYR 36 6.388 -6.901 1.597 284 H SER 37 HN SER 37 -2.326 -8.002 1.593 285 HA SER 37 HA SER 37 -4.057 -8.078 3.912 286 1HB SER 37 HB2 SER 37 -4.928 -7.515 1.611 287 2HB SER 37 HB3 SER 37 -4.526 -9.185 1.084 288 HG SER 37 HG SER 37 -6.249 -8.430 3.219 No H/Q in entry = 288 Start of MODEL 2 1 HA PCA 1 HA PGL 1 -3.978 -7.668 -7.078 2 1HB PCA 1 HB2 PGL 1 -2.286 -9.697 -6.022 3 2HB PCA 1 HB3 PGL 1 -3.589 -9.945 -7.226 4 1HG PCA 1 HG2 PGL 1 -0.596 -9.672 -7.771 5 2HG PCA 1 HG3 PGL 1 -1.818 -10.778 -8.548 6 HN PCA 1 HN PGL 1 -2.855 -6.799 -9.027 7 H PHE 2 HN PHE 2 -1.218 -6.028 -7.774 8 HA PHE 2 HA PHE 2 -0.677 -5.147 -5.022 9 1HB PHE 2 HB2 PHE 2 1.300 -5.850 -7.300 10 2HB PHE 2 HB3 PHE 2 1.772 -4.769 -5.940 11 HD1 PHE 2 HD1 PHE 2 1.511 -5.586 -3.559 12 HD2 PHE 2 HD2 PHE 2 1.370 -8.217 -6.956 13 HE1 PHE 2 HE1 PHE 2 2.055 -7.505 -2.096 14 HE2 PHE 2 HE2 PHE 2 1.904 -10.137 -5.488 15 HZ PHE 2 HZ PHE 2 2.249 -9.783 -3.056 16 H THR 3 HN THR 3 0.216 -2.924 -5.035 17 HA THR 3 HA THR 3 -1.184 -1.225 -6.942 18 HB THR 3 HB THR 3 -0.666 0.500 -5.065 19 HG1 THR 3 HG1 THR 3 0.109 -0.229 -3.281 20 1HG2 THR 3 HG22 THR 3 -2.494 -1.957 -4.601 21 2HG2 THR 3 HG23 THR 3 -2.557 -0.454 -3.622 22 3HG2 THR 3 HG21 THR 3 -2.908 -0.387 -5.392 23 H ASN 4 HN ASN 4 -0.079 0.423 -8.075 24 HA ASN 4 HA ASN 4 2.862 0.447 -7.957 25 1HB ASN 4 HB2 ASN 4 2.930 0.703 -10.447 26 2HB ASN 4 HB3 ASN 4 2.388 -0.905 -9.896 27 1HD2 ASN 4 HD22 ASN 4 0.004 1.300 -12.378 28 2HD2 ASN 4 HD21 ASN 4 1.587 1.813 -11.893 29 H VAL 5 HN VAL 5 1.417 1.963 -6.379 30 HA VAL 5 HA VAL 5 1.378 4.701 -7.437 31 HB VAL 5 HB VAL 5 0.343 3.256 -4.936 32 1HG1 VAL 5 HG12 VAL 5 0.489 6.311 -5.369 33 2HG1 VAL 5 HG13 VAL 5 -0.562 5.484 -4.156 34 3HG1 VAL 5 HG11 VAL 5 1.221 5.339 -4.022 35 1HG2 VAL 5 HG21 VAL 5 -1.067 3.093 -6.968 36 2HG2 VAL 5 HG22 VAL 5 -1.852 4.148 -5.742 37 3HG2 VAL 5 HG23 VAL 5 -1.031 4.888 -7.167 38 H SER 6 HN SER 6 2.786 6.274 -6.129 39 HA SER 6 HA SER 6 5.283 4.997 -5.287 40 1HB SER 6 HB2 SER 6 6.247 7.339 -5.407 41 2HB SER 6 HB3 SER 6 5.709 6.598 -6.939 42 HG SER 6 HG SER 6 4.207 8.433 -5.385 43 H CYS 7 HN CYS 7 6.105 5.108 -3.263 44 HA CYS 7 HA CYS 7 4.463 6.482 -1.167 45 1HB CYS 7 HB2 CYS 7 3.514 4.402 -1.194 46 2HB CYS 7 HB3 CYS 7 5.040 3.532 -1.197 47 H THR 8 HN THR 8 5.493 7.114 0.579 48 HA THR 8 HA THR 8 8.378 6.723 0.912 49 HB THR 8 HB THR 8 8.514 9.098 1.830 50 HG1 THR 8 HG1 THR 8 6.245 9.444 1.870 51 1HG2 THR 8 HG21 THR 8 9.496 8.362 -0.357 52 2HG2 THR 8 HG22 THR 8 7.950 8.762 -1.193 53 3HG2 THR 8 HG23 THR 8 8.912 10.064 -0.405 54 H THR 9 HN THR 9 5.165 7.595 2.361 55 HA THR 9 HA THR 9 6.178 6.898 5.034 56 HB THR 9 HB THR 9 4.111 8.190 5.806 57 HG1 THR 9 HG1 THR 9 3.078 8.190 3.752 58 1HG2 THR 9 HG22 THR 9 6.454 9.062 5.875 59 2HG2 THR 9 HG23 THR 9 6.280 9.687 4.190 60 3HG2 THR 9 HG21 THR 9 5.254 10.358 5.514 61 H SER 10 HN SER 10 5.256 5.336 6.273 62 HA SER 10 HA SER 10 3.119 3.675 5.177 63 1HB SER 10 HB2 SER 10 3.584 2.150 7.116 64 2HB SER 10 HB3 SER 10 4.918 2.358 5.943 65 HG SER 10 HG SER 10 4.685 3.707 8.421 66 H LYS 11 HN LYS 11 1.463 5.070 5.242 67 HA LYS 11 HA LYS 11 -0.154 5.510 7.458 68 1HB LYS 11 HB2 LYS 11 1.480 7.251 8.182 69 2HB LYS 11 HB3 LYS 11 1.542 7.936 6.530 70 1HG LYS 11 HG2 LYS 11 -0.826 8.704 6.752 71 2HG LYS 11 HG3 LYS 11 -0.938 7.932 8.374 72 1HD LYS 11 HD2 LYS 11 0.786 9.458 9.256 73 2HD LYS 11 HD3 LYS 11 1.063 10.161 7.626 74 1HE LYS 11 HE2 LYS 11 -1.610 10.338 9.189 75 2HE LYS 11 HE3 LYS 11 -0.358 11.643 9.105 76 1HZ LYS 11 HZ2 LYS 11 -0.657 11.714 6.729 77 2HZ LYS 11 HZ3 LYS 11 -1.829 10.487 6.795 78 3HZ LYS 11 HZ1 LYS 11 -2.125 11.985 7.538 79 H GLU 12 HN GLU 12 1.181 6.693 4.370 80 HA GLU 12 HA GLU 12 -0.919 7.720 3.073 81 1HB GLU 12 HB2 GLU 12 1.715 7.588 2.807 82 2HB GLU 12 HB3 GLU 12 1.415 6.228 1.720 83 1HG GLU 12 HG2 GLU 12 -0.184 7.919 0.418 84 2HG GLU 12 HG3 GLU 12 0.554 9.174 1.495 85 1HN ABA 13 HN ABA 13 0.035 4.325 3.243 86 HA ABA 13 HA ABA 13 -1.151 3.562 0.735 87 1HB ABA 13 HB3 ABA 13 0.127 1.511 1.007 88 2HB ABA 13 HB2 ABA 13 0.439 1.880 2.749 89 1HG ABA 13 HG1 ABA 13 1.499 3.575 0.376 90 2HG ABA 13 HG2 ABA 13 1.834 3.833 2.129 91 3HG ABA 13 HG3 ABA 13 2.390 2.332 1.319 92 H TRP 14 HN TRP 14 -2.504 3.834 3.718 93 HA TRP 14 HA TRP 14 -4.027 1.411 3.938 94 1HB TRP 14 HB2 TRP 14 -3.730 4.074 5.388 95 2HB TRP 14 HB3 TRP 14 -5.227 3.128 5.702 96 HD1 TRP 14 HD1 TRP 14 -5.192 1.188 7.244 97 HE1 TRP 14 HE1 TRP 14 -3.445 -0.230 8.392 98 HE3 TRP 14 HE3 TRP 14 -1.013 3.261 5.178 99 HZ2 TRP 14 HZ2 TRP 14 -0.587 -0.286 8.678 100 HZ3 TRP 14 HZ3 TRP 14 1.189 2.364 5.810 101 HH2 TRP 14 HH2 TRP 14 1.411 0.676 7.591 102 H SER 15 HN SER 15 -4.509 4.599 2.385 103 HA SER 15 HA SER 15 -7.301 4.075 1.822 104 1HB SER 15 HB2 SER 15 -7.213 6.365 0.751 105 2HB SER 15 HB3 SER 15 -6.812 6.329 2.497 106 HG SER 15 HG SER 15 -4.922 6.363 0.391 107 H VAL 16 HN VAL 16 -4.250 3.195 0.506 108 HA VAL 16 HA VAL 16 -5.240 3.106 -2.256 109 HB VAL 16 HB VAL 16 -2.443 2.442 -1.180 110 1HG1 VAL 16 HG11 VAL 16 -3.537 3.139 -3.999 111 2HG1 VAL 16 HG12 VAL 16 -1.804 2.862 -3.579 112 3HG1 VAL 16 HG13 VAL 16 -2.982 1.514 -3.457 113 1HG2 VAL 16 HG22 VAL 16 -3.575 5.112 -2.239 114 2HG2 VAL 16 HG23 VAL 16 -2.938 4.790 -0.580 115 3HG2 VAL 16 HG21 VAL 16 -1.829 4.743 -1.988 116 H CYS 17 HN CYS 17 -4.599 0.978 0.585 117 HA CYS 17 HA CYS 17 -4.981 -1.409 -0.979 118 1HB CYS 17 HB2 CYS 17 -4.561 -0.719 1.957 119 2HB CYS 17 HB3 CYS 17 -5.155 -2.350 1.549 120 H GLN 18 HN GLN 18 -7.070 0.960 0.597 121 HA GLN 18 HA GLN 18 -9.254 -0.808 1.085 122 1HB GLN 18 HB2 GLN 18 -8.435 0.988 2.609 123 2HB GLN 18 HB3 GLN 18 -8.962 2.231 1.427 124 1HG GLN 18 HG2 GLN 18 -11.330 1.409 1.687 125 2HG GLN 18 HG3 GLN 18 -10.725 0.083 2.767 126 1HE2 GLN 18 HE22 GLN 18 -11.977 2.634 5.125 127 2HE2 GLN 18 HE21 GLN 18 -12.575 1.431 4.029 128 H ARG 19 HN ARG 19 -8.318 1.715 -1.294 129 HA ARG 19 HA ARG 19 -10.915 1.863 -2.529 130 1HB ARG 19 HB2 ARG 19 -8.201 3.121 -3.161 131 2HB ARG 19 HB3 ARG 19 -9.680 3.486 -4.121 132 1HG ARG 19 HG2 ARG 19 -9.699 3.933 -1.095 133 2HG ARG 19 HG3 ARG 19 -8.861 5.067 -2.200 134 1HD ARG 19 HD2 ARG 19 -11.080 5.902 -1.727 135 2HD ARG 19 HD3 ARG 19 -10.906 5.477 -3.491 136 HE ARG 19 HE ARG 19 -11.983 3.161 -2.366 137 1HH1 ARG 19 HH12 ARG 19 -13.009 6.587 -2.369 138 2HH1 ARG 19 HH11 ARG 19 -14.701 6.213 -2.344 139 1HH2 ARG 19 HH22 ARG 19 -14.254 2.686 -2.340 140 2HH2 ARG 19 HH21 ARG 19 -15.418 3.969 -2.329 141 H LEU 20 HN LEU 20 -8.037 -0.052 -2.986 142 HA LEU 20 HA LEU 20 -8.599 -0.811 -5.736 143 1HB LEU 20 HB2 LEU 20 -6.369 -1.061 -3.733 144 2HB LEU 20 HB3 LEU 20 -6.498 -2.430 -4.885 145 HG LEU 20 HG LEU 20 -4.915 -0.788 -5.540 146 1HD1 LEU 20 HD13 LEU 20 -5.992 -2.246 -7.236 147 2HD1 LEU 20 HD11 LEU 20 -7.244 -0.986 -7.551 148 3HD1 LEU 20 HD12 LEU 20 -5.517 -0.660 -7.949 149 1HD2 LEU 20 HD22 LEU 20 -5.994 1.345 -4.758 150 2HD2 LEU 20 HD23 LEU 20 -5.453 1.435 -6.473 151 3HD2 LEU 20 HD21 LEU 20 -7.199 1.213 -6.092 152 H HIS 21 HN HIS 21 -7.988 -2.490 -2.605 153 HA HIS 21 HA HIS 21 -9.766 -4.686 -3.377 154 1HB HIS 21 HB2 HIS 21 -7.613 -4.504 -1.193 155 2HB HIS 21 HB3 HIS 21 -8.558 -5.974 -1.650 156 HD1 HIS 21 HD1 HIS 21 -8.001 -6.853 -4.211 157 HD2 HIS 21 HD2 HIS 21 -5.413 -3.912 -2.712 158 HE1 HIS 21 HE1 HIS 21 -5.917 -6.799 -5.691 159 H ASN 22 HN ASN 22 -9.118 -4.420 -0.086 160 HA ASN 22 HA ASN 22 -11.017 -2.715 0.931 161 1HB ASN 22 HB2 ASN 22 -12.854 -4.424 1.712 162 2HB ASN 22 HB3 ASN 22 -12.932 -3.772 0.066 163 1HD2 ASN 22 HD22 ASN 22 -12.070 -7.829 0.543 164 2HD2 ASN 22 HD21 ASN 22 -11.735 -6.734 1.845 165 H THR 23 HN THR 23 -8.611 -2.891 1.829 166 HA THR 23 HA THR 23 -8.835 -4.356 4.315 167 HB THR 23 HB THR 23 -7.776 -5.895 2.527 168 HG1 THR 23 HG1 THR 23 -7.798 -6.226 4.734 169 1HG2 THR 23 HG22 THR 23 -6.116 -4.239 1.592 170 2HG2 THR 23 HG23 THR 23 -5.267 -4.233 3.198 171 3HG2 THR 23 HG21 THR 23 -5.348 -5.737 2.235 172 H SER 24 HN SER 24 -6.568 -3.829 5.539 173 HA SER 24 HA SER 24 -5.993 -0.999 5.321 174 1HB SER 24 HB2 SER 24 -6.705 -0.494 7.683 175 2HB SER 24 HB3 SER 24 -8.054 -0.761 6.539 176 HG SER 24 HG SER 24 -8.360 -1.806 8.503 177 H ARG 25 HN ARG 25 -4.541 -3.519 4.900 178 HA ARG 25 HA ARG 25 -2.359 -2.941 6.719 179 1HB ARG 25 HB2 ARG 25 -1.859 -5.591 6.536 180 2HB ARG 25 HB3 ARG 25 -2.689 -4.850 7.915 181 1HG ARG 25 HG2 ARG 25 -4.447 -5.794 5.644 182 2HG ARG 25 HG3 ARG 25 -3.656 -7.032 6.662 183 1HD ARG 25 HD2 ARG 25 -4.834 -6.542 8.590 184 2HD ARG 25 HD3 ARG 25 -4.963 -4.775 8.203 185 HE ARG 25 HE ARG 25 -6.499 -6.082 6.237 186 1HH1 ARG 25 HH12 ARG 25 -6.572 -5.607 9.783 187 2HH1 ARG 25 HH11 ARG 25 -8.302 -5.587 9.879 188 1HH2 ARG 25 HH22 ARG 25 -8.823 -6.110 6.400 189 2HH2 ARG 25 HH21 ARG 25 -9.597 -5.877 7.933 190 H GLY 26 HN GLY 26 -0.853 -2.342 5.515 191 1HA GLY 26 HA1 GLY 26 0.247 -3.352 3.257 192 2HA GLY 26 HA2 GLY 26 -1.072 -2.228 2.715 193 H LYS 27 HN LYS 27 2.114 -2.234 3.033 194 HA LYS 27 HA LYS 27 2.409 0.455 4.160 195 1HB LYS 27 HB2 LYS 27 4.423 -1.887 4.377 196 2HB LYS 27 HB3 LYS 27 4.602 -0.224 5.057 197 1HG LYS 27 HG2 LYS 27 2.620 -0.690 6.538 198 2HG LYS 27 HG3 LYS 27 2.576 -2.376 5.911 199 1HD LYS 27 HD2 LYS 27 4.933 -2.717 6.718 200 2HD LYS 27 HD3 LYS 27 4.915 -1.068 7.434 201 1HE LYS 27 HE2 LYS 27 3.018 -3.402 8.197 202 2HE LYS 27 HE3 LYS 27 4.441 -2.833 9.160 203 1HZ LYS 27 HZ3 LYS 27 2.030 -1.227 8.489 204 2HZ LYS 27 HZ1 LYS 27 2.373 -1.963 9.982 205 3HZ LYS 27 HZ2 LYS 27 3.362 -0.707 9.407 206 H CYS 28 HN CYS 28 5.335 0.059 3.254 207 HA CYS 28 HA CYS 28 5.162 -0.489 0.434 208 1HB CYS 28 HB2 CYS 28 5.936 1.792 -0.326 209 2HB CYS 28 HB3 CYS 28 4.302 1.755 0.353 210 H MET 29 HN MET 29 7.393 0.087 -0.594 211 HA MET 29 HA MET 29 9.400 -1.165 1.076 212 1HB MET 29 HB2 MET 29 8.522 -2.071 -1.171 213 2HB MET 29 HB3 MET 29 9.462 -0.781 -1.954 214 1HG MET 29 HG2 MET 29 11.520 -1.733 -0.678 215 2HG MET 29 HG3 MET 29 10.437 -3.027 -0.067 216 1HE MET 29 HE3 MET 29 13.200 -3.413 -1.521 217 2HE MET 29 HE1 MET 29 12.166 -4.743 -0.891 218 3HE MET 29 HE2 MET 29 12.833 -4.836 -2.557 219 H ASN 30 HN ASN 30 11.012 0.287 -1.385 220 HA ASN 30 HA ASN 30 11.884 2.528 0.197 221 1HB ASN 30 HB2 ASN 30 13.666 2.853 -1.428 222 2HB ASN 30 HB3 ASN 30 13.583 1.173 -0.822 223 1HD2 ASN 30 HD22 ASN 30 13.494 1.862 -4.826 224 2HD2 ASN 30 HD21 ASN 30 13.851 3.073 -3.638 225 H LYS 31 HN LYS 31 10.059 2.089 -2.807 226 HA LYS 31 HA LYS 31 9.459 4.959 -2.931 227 1HB LYS 31 HB2 LYS 31 10.898 3.273 -5.036 228 2HB LYS 31 HB3 LYS 31 10.022 4.743 -5.523 229 1HG LYS 31 HG2 LYS 31 12.315 4.639 -3.541 230 2HG LYS 31 HG3 LYS 31 12.417 5.162 -5.258 231 1HD LYS 31 HD2 LYS 31 10.759 6.599 -3.076 232 2HD LYS 31 HD3 LYS 31 12.450 6.979 -3.507 233 1HE LYS 31 HE2 LYS 31 11.115 8.609 -4.640 234 2HE LYS 31 HE3 LYS 31 11.706 7.464 -5.907 235 1HZ LYS 31 HZ1 LYS 31 9.545 6.386 -5.826 236 2HZ LYS 31 HZ2 LYS 31 9.007 7.489 -4.649 237 3HZ LYS 31 HZ3 LYS 31 9.416 8.038 -6.205 238 H LYS 32 HN LYS 32 7.958 1.816 -3.037 239 HA LYS 32 HA LYS 32 5.771 3.084 -4.462 240 1HB LYS 32 HB2 LYS 32 5.336 1.490 -6.031 241 2HB LYS 32 HB3 LYS 32 7.025 2.009 -6.276 242 1HG LYS 32 HG2 LYS 32 7.828 -0.038 -5.058 243 2HG LYS 32 HG3 LYS 32 6.117 -0.621 -4.937 244 1HD LYS 32 HD2 LYS 32 6.830 0.224 -7.658 245 2HD LYS 32 HD3 LYS 32 7.900 -1.100 -7.051 246 1HE LYS 32 HE2 LYS 32 5.887 -2.503 -6.492 247 2HE LYS 32 HE3 LYS 32 4.793 -1.191 -7.092 248 1HZ LYS 32 HZ3 LYS 32 6.824 -2.638 -8.712 249 2HZ LYS 32 HZ1 LYS 32 5.153 -2.934 -8.702 250 3HZ LYS 32 HZ2 LYS 32 5.746 -1.448 -9.268 251 1HN ABA 33 HN ABA 33 3.791 2.176 -4.059 252 HA ABA 33 HA ABA 33 3.367 1.308 -1.432 253 1HB ABA 33 HB3 ABA 33 1.499 1.779 -3.819 254 2HB ABA 33 HB2 ABA 33 2.094 3.011 -2.650 255 1HG ABA 33 HG1 ABA 33 -0.063 2.481 -1.856 256 2HG ABA 33 HG2 ABA 33 0.203 0.694 -1.975 257 3HG ABA 33 HG3 ABA 33 1.152 1.659 -0.790 258 H ARG 34 HN ARG 34 2.481 -0.616 -0.687 259 HA ARG 34 HA ARG 34 2.185 -2.864 -2.542 260 1HB ARG 34 HB2 ARG 34 4.571 -2.630 -1.456 261 2HB ARG 34 HB3 ARG 34 3.801 -3.162 0.062 262 1HG ARG 34 HG2 ARG 34 3.187 -5.316 -1.003 263 2HG ARG 34 HG3 ARG 34 3.593 -4.662 -2.634 264 1HD ARG 34 HD2 ARG 34 5.994 -4.471 -2.018 265 2HD ARG 34 HD3 ARG 34 5.633 -5.119 -0.360 266 HE ARG 34 HE ARG 34 4.573 -6.967 -2.294 267 1HH1 ARG 34 HH22 ARG 34 7.751 -5.757 -1.179 268 2HH1 ARG 34 HH21 ARG 34 8.604 -7.195 -1.634 269 1HH2 ARG 34 HH12 ARG 34 5.746 -8.889 -2.899 270 2HH2 ARG 34 HH11 ARG 34 7.452 -8.993 -2.621 271 H CYS 35 HN CYS 35 1.272 -4.778 -0.997 272 HA CYS 35 HA CYS 35 -0.546 -3.736 0.964 273 1HB CYS 35 HB2 CYS 35 -1.606 -3.573 -1.467 274 2HB CYS 35 HB3 CYS 35 -1.831 -5.332 -1.321 275 H TYR 36 HN TYR 36 -1.086 -5.260 2.365 276 HA TYR 36 HA TYR 36 0.478 -7.777 2.305 277 1HB TYR 36 HB2 TYR 36 0.596 -5.334 4.162 278 2HB TYR 36 HB3 TYR 36 1.109 -6.941 4.801 279 HD1 TYR 36 HD2 TYR 36 2.709 -8.206 2.812 280 HD2 TYR 36 HD1 TYR 36 2.423 -4.025 3.751 281 HE1 TYR 36 HE2 TYR 36 5.024 -7.869 2.030 282 HE2 TYR 36 HE1 TYR 36 4.725 -3.674 2.946 283 HH TYR 36 HH TYR 36 6.730 -6.420 1.780 284 H SER 37 HN SER 37 -1.839 -8.427 1.798 285 HA SER 37 HA SER 37 -3.769 -8.276 3.912 286 1HB SER 37 HB2 SER 37 -3.706 -9.969 1.348 287 2HB SER 37 HB3 SER 37 -5.117 -9.789 2.464 288 HG SER 37 HG SER 37 -5.041 -7.560 2.025 No H/Q in entry = 288 Start of MODEL 3 1 HA PCA 1 HA PGL 1 -3.804 -6.395 -3.098 2 1HB PCA 1 HB2 PGL 1 -2.407 -7.927 -1.132 3 2HB PCA 1 HB3 PGL 1 -4.179 -7.752 -1.315 4 1HG PCA 1 HG2 PGL 1 -2.442 -10.067 -2.255 5 2HG PCA 1 HG3 PGL 1 -4.145 -10.076 -1.606 6 HN PCA 1 HN PGL 1 -3.929 -7.816 -5.053 7 H PHE 2 HN PHE 2 -2.460 -5.920 -5.255 8 HA PHE 2 HA PHE 2 0.182 -5.178 -4.336 9 1HB PHE 2 HB2 PHE 2 -0.441 -6.740 -6.945 10 2HB PHE 2 HB3 PHE 2 1.016 -5.689 -6.772 11 HD1 PHE 2 HD1 PHE 2 2.517 -6.080 -4.691 12 HD2 PHE 2 HD2 PHE 2 -0.275 -8.985 -6.194 13 HE1 PHE 2 HE1 PHE 2 3.737 -7.870 -3.500 14 HE2 PHE 2 HE2 PHE 2 0.950 -10.773 -5.003 15 HZ PHE 2 HZ PHE 2 2.953 -10.220 -3.649 16 H THR 3 HN THR 3 0.547 -3.118 -4.826 17 HA THR 3 HA THR 3 -1.183 -1.687 -6.730 18 HB THR 3 HB THR 3 -0.666 0.325 -5.112 19 HG1 THR 3 HG1 THR 3 0.339 -0.220 -3.440 20 1HG2 THR 3 HG22 THR 3 -2.682 -1.908 -4.463 21 2HG2 THR 3 HG23 THR 3 -2.671 -0.296 -3.670 22 3HG2 THR 3 HG21 THR 3 -2.922 -0.414 -5.458 23 H ASN 4 HN ASN 4 0.032 0.248 -7.627 24 HA ASN 4 HA ASN 4 2.923 0.050 -7.561 25 1HB ASN 4 HB2 ASN 4 3.058 0.052 -10.068 26 2HB ASN 4 HB3 ASN 4 2.504 -1.490 -9.362 27 1HD2 ASN 4 HD22 ASN 4 0.456 -1.106 -12.355 28 2HD2 ASN 4 HD21 ASN 4 2.092 -1.440 -11.899 29 H VAL 5 HN VAL 5 1.626 1.838 -6.181 30 HA VAL 5 HA VAL 5 1.568 4.342 -7.712 31 HB VAL 5 HB VAL 5 1.014 4.189 -4.723 32 1HG1 VAL 5 HG12 VAL 5 -0.198 5.756 -7.114 33 2HG1 VAL 5 HG13 VAL 5 -0.651 5.947 -5.380 34 3HG1 VAL 5 HG11 VAL 5 0.988 6.421 -5.925 35 1HG2 VAL 5 HG23 VAL 5 -0.835 3.114 -6.935 36 2HG2 VAL 5 HG21 VAL 5 -0.214 2.276 -5.450 37 3HG2 VAL 5 HG22 VAL 5 -1.385 3.638 -5.307 38 H SER 6 HN SER 6 2.630 6.136 -5.895 39 HA SER 6 HA SER 6 5.367 5.183 -5.317 40 1HB SER 6 HB2 SER 6 6.018 7.646 -5.375 41 2HB SER 6 HB3 SER 6 5.616 6.858 -6.924 42 HG SER 6 HG SER 6 4.678 8.907 -6.680 43 H CYS 7 HN CYS 7 6.053 5.174 -3.315 44 HA CYS 7 HA CYS 7 4.439 6.553 -1.202 45 1HB CYS 7 HB2 CYS 7 3.543 4.424 -1.221 46 2HB CYS 7 HB3 CYS 7 5.096 3.600 -1.199 47 H THR 8 HN THR 8 5.493 7.160 0.573 48 HA THR 8 HA THR 8 8.383 6.768 0.863 49 HB THR 8 HB THR 8 8.521 9.105 1.871 50 HG1 THR 8 HG1 THR 8 7.006 10.557 1.050 51 1HG2 THR 8 HG23 THR 8 9.483 8.460 -0.355 52 2HG2 THR 8 HG21 THR 8 7.926 8.893 -1.156 53 3HG2 THR 8 HG22 THR 8 8.895 10.163 -0.325 54 H THR 9 HN THR 9 5.213 7.636 2.354 55 HA THR 9 HA THR 9 6.137 6.744 4.996 56 HB THR 9 HB THR 9 4.083 8.094 5.787 57 HG1 THR 9 HG1 THR 9 3.150 8.331 3.715 58 1HG2 THR 9 HG21 THR 9 6.455 8.800 6.057 59 2HG2 THR 9 HG22 THR 9 6.443 9.533 4.406 60 3HG2 THR 9 HG23 THR 9 5.375 10.196 5.705 61 H SER 10 HN SER 10 5.212 5.024 5.980 62 HA SER 10 HA SER 10 3.108 3.526 4.640 63 1HB SER 10 HB2 SER 10 4.819 2.813 7.092 64 2HB SER 10 HB3 SER 10 3.618 1.730 6.272 65 HG SER 10 HG SER 10 5.709 1.379 5.575 66 H LYS 11 HN LYS 11 1.471 5.007 4.949 67 HA LYS 11 HA LYS 11 -0.276 4.693 7.037 68 1HB LYS 11 HB2 LYS 11 1.250 6.222 8.368 69 2HB LYS 11 HB3 LYS 11 0.995 7.504 7.145 70 1HG LYS 11 HG2 LYS 11 -1.480 7.460 7.683 71 2HG LYS 11 HG3 LYS 11 -1.195 6.095 8.818 72 1HD LYS 11 HD2 LYS 11 0.246 7.593 10.224 73 2HD LYS 11 HD3 LYS 11 -0.080 8.954 9.086 74 1HE LYS 11 HE2 LYS 11 -2.557 8.761 9.588 75 2HE LYS 11 HE3 LYS 11 -2.204 7.419 10.749 76 1HZ LYS 11 HZ3 LYS 11 -0.862 8.954 12.022 77 2HZ LYS 11 HZ1 LYS 11 -1.209 10.213 10.935 78 3HZ LYS 11 HZ2 LYS 11 -2.458 9.511 11.851 79 H GLU 12 HN GLU 12 1.108 6.727 4.438 80 HA GLU 12 HA GLU 12 -1.101 7.753 3.229 81 1HB GLU 12 HB2 GLU 12 1.560 7.930 3.069 82 2HB GLU 12 HB3 GLU 12 1.404 6.881 1.667 83 1HG GLU 12 HG2 GLU 12 -0.101 9.566 2.071 84 2HG GLU 12 HG3 GLU 12 1.483 9.410 1.238 85 1HN ABA 13 HN ABA 13 0.083 4.487 3.161 86 HA ABA 13 HA ABA 13 -1.064 3.715 0.616 87 1HB ABA 13 HB3 ABA 13 0.152 1.633 0.913 88 2HB ABA 13 HB2 ABA 13 0.431 1.972 2.663 89 1HG ABA 13 HG1 ABA 13 1.914 3.857 2.115 90 2HG ABA 13 HG2 ABA 13 2.434 2.340 1.297 91 3HG ABA 13 HG3 ABA 13 1.617 3.634 0.348 92 H TRP 14 HN TRP 14 -2.273 3.921 3.751 93 HA TRP 14 HA TRP 14 -3.689 1.450 3.910 94 1HB TRP 14 HB2 TRP 14 -3.756 4.005 5.636 95 2HB TRP 14 HB3 TRP 14 -4.700 2.522 6.026 96 HD1 TRP 14 HD1 TRP 14 -0.856 3.000 5.134 97 HE1 TRP 14 HE1 TRP 14 0.361 1.245 6.429 98 HE3 TRP 14 HE3 TRP 14 -4.743 1.290 7.992 99 HZ2 TRP 14 HZ2 TRP 14 -0.142 -0.597 8.550 100 HZ3 TRP 14 HZ3 TRP 14 -4.319 -0.579 9.556 101 HH2 TRP 14 HH2 TRP 14 -2.055 -1.562 9.758 102 H SER 15 HN SER 15 -4.382 4.660 2.610 103 HA SER 15 HA SER 15 -7.213 4.191 2.274 104 1HB SER 15 HB2 SER 15 -7.165 6.517 1.267 105 2HB SER 15 HB3 SER 15 -6.636 6.420 2.976 106 HG SER 15 HG SER 15 -4.915 6.499 0.731 107 H VAL 16 HN VAL 16 -4.326 3.236 0.724 108 HA VAL 16 HA VAL 16 -5.456 3.295 -1.980 109 HB VAL 16 HB VAL 16 -2.661 2.432 -1.068 110 1HG1 VAL 16 HG12 VAL 16 -3.807 3.263 -3.830 111 2HG1 VAL 16 HG13 VAL 16 -2.098 2.814 -3.459 112 3HG1 VAL 16 HG11 VAL 16 -3.390 1.579 -3.354 113 1HG2 VAL 16 HG22 VAL 16 -3.685 5.176 -2.056 114 2HG2 VAL 16 HG23 VAL 16 -3.012 4.803 -0.425 115 3HG2 VAL 16 HG21 VAL 16 -1.955 4.705 -1.871 116 H CYS 17 HN CYS 17 -4.529 1.000 0.664 117 HA CYS 17 HA CYS 17 -5.102 -1.352 -0.793 118 1HB CYS 17 HB2 CYS 17 -4.655 -0.598 2.127 119 2HB CYS 17 HB3 CYS 17 -5.202 -2.254 1.741 120 H GLN 18 HN GLN 18 -7.198 0.978 0.739 121 HA GLN 18 HA GLN 18 -9.379 -0.809 1.263 122 1HB GLN 18 HB2 GLN 18 -8.484 1.217 2.604 123 2HB GLN 18 HB3 GLN 18 -9.348 2.275 1.471 124 1HG GLN 18 HG2 GLN 18 -10.707 -0.115 2.831 125 2HG GLN 18 HG3 GLN 18 -10.344 1.370 3.791 126 1HE2 GLN 18 HE22 GLN 18 -13.105 3.236 2.627 127 2HE2 GLN 18 HE21 GLN 18 -11.718 3.133 3.660 128 H ARG 19 HN ARG 19 -8.637 1.952 -0.773 129 HA ARG 19 HA ARG 19 -10.879 2.115 -2.405 130 1HB ARG 19 HB2 ARG 19 -8.001 3.087 -2.655 131 2HB ARG 19 HB3 ARG 19 -9.173 3.466 -3.957 132 1HG ARG 19 HG2 ARG 19 -9.647 4.198 -1.018 133 2HG ARG 19 HG3 ARG 19 -8.835 5.268 -2.208 134 1HD ARG 19 HD2 ARG 19 -11.711 4.178 -2.492 135 2HD ARG 19 HD3 ARG 19 -11.247 5.846 -1.928 136 HE ARG 19 HE ARG 19 -9.896 5.608 -4.344 137 1HH1 ARG 19 HH12 ARG 19 -13.334 5.180 -3.454 138 2HH1 ARG 19 HH11 ARG 19 -13.927 5.653 -5.013 139 1HH2 ARG 19 HH22 ARG 19 -10.713 6.236 -6.416 140 2HH2 ARG 19 HH21 ARG 19 -12.419 6.260 -6.717 141 H LEU 20 HN LEU 20 -8.035 0.010 -2.812 142 HA LEU 20 HA LEU 20 -8.634 -0.648 -5.565 143 1HB LEU 20 HB2 LEU 20 -6.373 -0.819 -3.706 144 2HB LEU 20 HB3 LEU 20 -6.597 -2.411 -4.462 145 HG LEU 20 HG LEU 20 -5.017 -1.153 -5.621 146 1HD1 LEU 20 HD13 LEU 20 -6.415 -2.745 -6.921 147 2HD1 LEU 20 HD11 LEU 20 -7.536 -1.413 -7.389 148 3HD1 LEU 20 HD12 LEU 20 -5.827 -1.390 -7.954 149 1HD2 LEU 20 HD23 LEU 20 -5.753 1.177 -5.141 150 2HD2 LEU 20 HD21 LEU 20 -5.447 0.935 -6.901 151 3HD2 LEU 20 HD22 LEU 20 -7.139 0.996 -6.282 152 H HIS 21 HN HIS 21 -8.089 -2.564 -2.572 153 HA HIS 21 HA HIS 21 -9.911 -4.653 -3.513 154 1HB HIS 21 HB2 HIS 21 -7.681 -4.690 -1.401 155 2HB HIS 21 HB3 HIS 21 -8.670 -6.109 -1.931 156 HD1 HIS 21 HD1 HIS 21 -8.371 -6.638 -4.663 157 HD2 HIS 21 HD2 HIS 21 -5.487 -4.115 -2.956 158 HE1 HIS 21 HE1 HIS 21 -6.406 -6.463 -6.287 159 H ASN 22 HN ASN 22 -9.153 -4.620 -0.184 160 HA ASN 22 HA ASN 22 -11.086 -3.059 0.956 161 1HB ASN 22 HB2 ASN 22 -12.888 -4.707 1.655 162 2HB ASN 22 HB3 ASN 22 -12.949 -4.196 -0.048 163 1HD2 ASN 22 HD22 ASN 22 -13.775 -7.748 -0.153 164 2HD2 ASN 22 HD21 ASN 22 -14.448 -6.241 0.371 165 H THR 23 HN THR 23 -8.758 -3.142 1.831 166 HA THR 23 HA THR 23 -8.915 -4.643 4.292 167 HB THR 23 HB THR 23 -7.660 -6.141 2.661 168 HG1 THR 23 HG1 THR 23 -7.511 -6.295 4.877 169 1HG2 THR 23 HG21 THR 23 -6.309 -4.345 1.487 170 2HG2 THR 23 HG22 THR 23 -5.380 -4.082 3.022 171 3HG2 THR 23 HG23 THR 23 -5.296 -5.657 2.193 172 H SER 24 HN SER 24 -6.581 -3.824 5.448 173 HA SER 24 HA SER 24 -6.560 -0.891 5.190 174 1HB SER 24 HB2 SER 24 -6.740 -2.522 7.814 175 2HB SER 24 HB3 SER 24 -6.463 -0.735 7.695 176 HG SER 24 HG SER 24 -8.601 -1.258 8.067 177 H ARG 25 HN ARG 25 -4.901 -4.002 5.463 178 HA ARG 25 HA ARG 25 -2.535 -2.865 6.671 179 1HB ARG 25 HB2 ARG 25 -3.181 -5.757 5.872 180 2HB ARG 25 HB3 ARG 25 -1.690 -5.193 6.696 181 1HG ARG 25 HG2 ARG 25 -2.907 -6.105 8.410 182 2HG ARG 25 HG3 ARG 25 -3.167 -4.344 8.610 183 1HD ARG 25 HD2 ARG 25 -5.259 -5.732 9.027 184 2HD ARG 25 HD3 ARG 25 -5.478 -4.571 7.674 185 HE ARG 25 HE ARG 25 -5.530 -6.311 6.100 186 1HH1 ARG 25 HH22 ARG 25 -4.655 -7.699 9.288 187 2HH1 ARG 25 HH21 ARG 25 -4.835 -9.338 8.757 188 1HH2 ARG 25 HH12 ARG 25 -5.766 -8.508 5.432 189 2HH2 ARG 25 HH11 ARG 25 -5.472 -9.804 6.545 190 H GLY 26 HN GLY 26 -0.889 -2.264 5.577 191 1HA GLY 26 HA1 GLY 26 -0.020 -3.047 3.021 192 2HA GLY 26 HA2 GLY 26 -1.113 -1.594 2.936 193 H LYS 27 HN LYS 27 1.958 -2.237 2.754 194 HA LYS 27 HA LYS 27 2.947 0.080 4.211 195 1HB LYS 27 HB2 LYS 27 3.375 -1.570 5.889 196 2HB LYS 27 HB3 LYS 27 3.670 -2.859 4.682 197 1HG LYS 27 HG2 LYS 27 5.850 -1.977 4.126 198 2HG LYS 27 HG3 LYS 27 5.609 -0.533 5.189 199 1HD LYS 27 HD2 LYS 27 5.508 -2.020 7.183 200 2HD LYS 27 HD3 LYS 27 5.683 -3.470 6.137 201 1HE LYS 27 HE2 LYS 27 7.796 -1.216 6.425 202 2HE LYS 27 HE3 LYS 27 7.851 -2.829 7.247 203 1HZ LYS 27 HZ1 LYS 27 7.907 -3.869 5.082 204 2HZ LYS 27 HZ2 LYS 27 7.875 -2.354 4.312 205 3HZ LYS 27 HZ3 LYS 27 9.198 -2.786 5.285 206 H CYS 28 HN CYS 28 5.038 0.662 3.238 207 HA CYS 28 HA CYS 28 5.379 -0.408 0.490 208 1HB CYS 28 HB2 CYS 28 6.036 1.871 -0.261 209 2HB CYS 28 HB3 CYS 28 4.366 1.791 0.363 210 H MET 29 HN MET 29 7.571 0.142 -0.369 211 HA MET 29 HA MET 29 9.564 -0.721 1.597 212 1HB MET 29 HB2 MET 29 8.838 -2.054 -0.507 213 2HB MET 29 HB3 MET 29 9.929 -0.989 -1.410 214 1HG MET 29 HG2 MET 29 10.762 -2.479 1.171 215 2HG MET 29 HG3 MET 29 10.659 -3.346 -0.379 216 1HE MET 29 HE2 MET 29 12.229 -3.520 -2.117 217 2HE MET 29 HE3 MET 29 11.728 -1.874 -2.654 218 3HE MET 29 HE1 MET 29 13.472 -2.306 -2.581 219 H ASN 30 HN ASN 30 11.169 0.444 -1.076 220 HA ASN 30 HA ASN 30 11.946 2.839 0.317 221 1HB ASN 30 HB2 ASN 30 13.703 3.064 -1.489 222 2HB ASN 30 HB3 ASN 30 13.761 1.646 -0.401 223 1HD2 ASN 30 HD22 ASN 30 14.523 -0.169 -3.331 224 2HD2 ASN 30 HD21 ASN 30 15.147 0.622 -1.920 225 H LYS 31 HN LYS 31 10.136 2.134 -2.622 226 HA LYS 31 HA LYS 31 9.819 5.030 -3.157 227 1HB LYS 31 HB2 LYS 31 10.666 2.816 -5.095 228 2HB LYS 31 HB3 LYS 31 10.158 4.458 -5.610 229 1HG LYS 31 HG2 LYS 31 12.006 5.511 -4.391 230 2HG LYS 31 HG3 LYS 31 12.535 3.910 -3.776 231 1HD LYS 31 HD2 LYS 31 14.014 4.401 -5.498 232 2HD LYS 31 HD3 LYS 31 12.923 3.139 -6.157 233 1HE LYS 31 HE2 LYS 31 12.616 6.186 -6.718 234 2HE LYS 31 HE3 LYS 31 13.595 5.068 -7.750 235 1HZ LYS 31 HZ1 LYS 31 11.628 3.789 -8.179 236 2HZ LYS 31 HZ2 LYS 31 10.686 4.824 -7.216 237 3HZ LYS 31 HZ3 LYS 31 11.416 5.412 -8.633 238 H LYS 32 HN LYS 32 8.042 1.869 -3.064 239 HA LYS 32 HA LYS 32 5.894 3.171 -4.570 240 1HB LYS 32 HB2 LYS 32 5.547 1.427 -6.041 241 2HB LYS 32 HB3 LYS 32 7.232 1.973 -6.249 242 1HG LYS 32 HG2 LYS 32 8.052 0.022 -4.901 243 2HG LYS 32 HG3 LYS 32 6.354 -0.558 -4.719 244 1HD LYS 32 HD2 LYS 32 6.116 -0.588 -7.205 245 2HD LYS 32 HD3 LYS 32 7.877 -0.231 -7.347 246 1HE LYS 32 HE2 LYS 32 8.407 -2.375 -6.110 247 2HE LYS 32 HE3 LYS 32 6.637 -2.708 -5.931 248 1HZ LYS 32 HZ1 LYS 32 6.466 -2.784 -8.326 249 2HZ LYS 32 HZ2 LYS 32 8.131 -2.491 -8.491 250 3HZ LYS 32 HZ3 LYS 32 7.588 -3.919 -7.745 251 1HN ABA 33 HN ABA 33 3.832 2.221 -4.241 252 HA ABA 33 HA ABA 33 3.419 1.431 -1.527 253 1HB ABA 33 HB3 ABA 33 1.564 2.035 -3.908 254 2HB ABA 33 HB2 ABA 33 2.186 3.208 -2.693 255 1HG ABA 33 HG1 ABA 33 1.153 1.834 -0.892 256 2HG ABA 33 HG2 ABA 33 -0.004 2.738 -1.953 257 3HG ABA 33 HG3 ABA 33 0.192 0.949 -2.125 258 H ARG 34 HN ARG 34 2.602 -0.514 -0.791 259 HA ARG 34 HA ARG 34 2.103 -2.691 -2.696 260 1HB ARG 34 HB2 ARG 34 4.527 -2.480 -1.473 261 2HB ARG 34 HB3 ARG 34 3.679 -3.348 -0.169 262 1HG ARG 34 HG2 ARG 34 3.061 -5.162 -1.809 263 2HG ARG 34 HG3 ARG 34 3.872 -4.241 -3.119 264 1HD ARG 34 HD2 ARG 34 5.240 -5.395 -0.595 265 2HD ARG 34 HD3 ARG 34 5.334 -6.086 -2.261 266 HE ARG 34 HE ARG 34 6.370 -3.333 -1.410 267 1HH1 ARG 34 HH12 ARG 34 6.739 -6.227 -3.488 268 2HH1 ARG 34 HH11 ARG 34 8.142 -5.611 -4.297 269 1HH2 ARG 34 HH22 ARG 34 8.235 -2.546 -2.506 270 2HH2 ARG 34 HH21 ARG 34 8.999 -3.499 -3.735 271 H CYS 35 HN CYS 35 1.146 -4.611 -1.156 272 HA CYS 35 HA CYS 35 -0.529 -3.533 0.911 273 1HB CYS 35 HB2 CYS 35 -1.702 -3.205 -1.443 274 2HB CYS 35 HB3 CYS 35 -1.937 -4.967 -1.408 275 H TYR 36 HN TYR 36 -1.428 -5.255 2.149 276 HA TYR 36 HA TYR 36 0.135 -7.749 2.056 277 1HB TYR 36 HB2 TYR 36 0.293 -5.353 3.956 278 2HB TYR 36 HB3 TYR 36 0.663 -6.986 4.637 279 HD1 TYR 36 HD2 TYR 36 2.315 -8.407 2.906 280 HD2 TYR 36 HD1 TYR 36 2.157 -4.147 3.427 281 HE1 TYR 36 HE2 TYR 36 4.653 -8.221 2.138 282 HE2 TYR 36 HE1 TYR 36 4.463 -3.948 2.660 283 HH TYR 36 HH TYR 36 6.394 -6.846 1.724 284 H SER 37 HN SER 37 -2.108 -8.455 1.497 285 HA SER 37 HA SER 37 -4.075 -8.403 3.636 286 1HB SER 37 HB2 SER 37 -4.040 -9.834 0.921 287 2HB SER 37 HB3 SER 37 -5.411 -9.855 2.100 288 HG SER 37 HG SER 37 -5.623 -8.294 0.479 No H/Q in entry = 288 Start of MODEL 4 1 HA PCA 1 HA PGL 1 -4.121 -7.489 -5.766 2 1HB PCA 1 HB2 PGL 1 -4.080 -8.138 -2.958 3 2HB PCA 1 HB3 PGL 1 -5.290 -8.646 -4.174 4 1HG PCA 1 HG2 PGL 1 -2.983 -10.273 -3.070 5 2HG PCA 1 HG3 PGL 1 -4.608 -10.819 -3.683 6 HN PCA 1 HN PGL 1 -2.523 -9.031 -6.746 7 H PHE 2 HN PHE 2 -2.148 -6.439 -6.672 8 HA PHE 2 HA PHE 2 -0.220 -5.487 -4.664 9 1HB PHE 2 HB2 PHE 2 0.345 -5.866 -7.682 10 2HB PHE 2 HB3 PHE 2 1.515 -5.596 -6.340 11 HD1 PHE 2 HD1 PHE 2 1.494 -7.530 -4.463 12 HD2 PHE 2 HD2 PHE 2 -0.013 -7.973 -8.467 13 HE1 PHE 2 HE1 PHE 2 1.685 -9.991 -4.271 14 HE2 PHE 2 HE2 PHE 2 0.184 -10.427 -8.274 15 HZ PHE 2 HZ PHE 2 1.020 -11.443 -6.169 16 H THR 3 HN THR 3 0.708 -3.325 -5.314 17 HA THR 3 HA THR 3 -1.066 -1.667 -6.978 18 HB THR 3 HB THR 3 -0.362 0.214 -5.333 19 HG1 THR 3 HG1 THR 3 0.234 -0.375 -3.402 20 1HG2 THR 3 HG22 THR 3 -2.282 -1.999 -4.367 21 2HG2 THR 3 HG23 THR 3 -2.211 -0.306 -3.765 22 3HG2 THR 3 HG21 THR 3 -2.665 -0.622 -5.482 23 H ASN 4 HN ASN 4 0.210 0.350 -7.700 24 HA ASN 4 HA ASN 4 3.067 0.096 -7.806 25 1HB ASN 4 HB2 ASN 4 3.052 0.358 -10.371 26 2HB ASN 4 HB3 ASN 4 2.737 -1.270 -9.724 27 1HD2 ASN 4 HD22 ASN 4 -0.382 -1.664 -11.309 28 2HD2 ASN 4 HD21 ASN 4 0.930 -2.357 -10.413 29 H VAL 5 HN VAL 5 1.855 1.806 -6.265 30 HA VAL 5 HA VAL 5 1.671 4.384 -7.684 31 HB VAL 5 HB VAL 5 1.004 4.007 -4.740 32 1HG1 VAL 5 HG11 VAL 5 -0.072 5.773 -7.068 33 2HG1 VAL 5 HG12 VAL 5 -0.644 5.836 -5.361 34 3HG1 VAL 5 HG13 VAL 5 1.025 6.358 -5.766 35 1HG2 VAL 5 HG22 VAL 5 -0.718 3.143 -7.133 36 2HG2 VAL 5 HG23 VAL 5 -0.211 2.197 -5.666 37 3HG2 VAL 5 HG21 VAL 5 -1.369 3.564 -5.510 38 H SER 6 HN SER 6 2.605 6.063 -5.650 39 HA SER 6 HA SER 6 5.359 5.152 -5.097 40 1HB SER 6 HB2 SER 6 5.975 7.622 -4.979 41 2HB SER 6 HB3 SER 6 5.633 6.929 -6.588 42 HG SER 6 HG SER 6 3.811 8.408 -4.996 43 H CYS 7 HN CYS 7 6.045 5.074 -3.069 44 HA CYS 7 HA CYS 7 4.453 6.451 -0.940 45 1HB CYS 7 HB2 CYS 7 3.368 4.430 -0.960 46 2HB CYS 7 HB3 CYS 7 4.833 3.470 -1.047 47 H THR 8 HN THR 8 5.570 6.907 0.900 48 HA THR 8 HA THR 8 8.432 6.299 1.082 49 HB THR 8 HB THR 8 8.815 8.617 2.060 50 HG1 THR 8 HG1 THR 8 6.389 9.089 0.653 51 1HG2 THR 8 HG23 THR 8 9.643 7.843 -0.181 52 2HG2 THR 8 HG21 THR 8 8.120 8.428 -0.947 53 3HG2 THR 8 HG22 THR 8 9.239 9.598 -0.159 54 H THR 9 HN THR 9 5.423 7.478 2.702 55 HA THR 9 HA THR 9 6.333 6.357 5.270 56 HB THR 9 HB THR 9 4.495 7.841 6.244 57 HG1 THR 9 HG1 THR 9 3.455 8.251 4.232 58 1HG2 THR 9 HG21 THR 9 6.921 8.348 6.373 59 2HG2 THR 9 HG22 THR 9 6.855 9.166 4.764 60 3HG2 THR 9 HG23 THR 9 5.933 9.842 6.162 61 H SER 10 HN SER 10 5.243 4.728 6.228 62 HA SER 10 HA SER 10 3.083 3.424 4.792 63 1HB SER 10 HB2 SER 10 3.480 1.525 6.405 64 2HB SER 10 HB3 SER 10 4.862 1.961 5.351 65 HG SER 10 HG SER 10 5.463 1.612 7.491 66 H LYS 11 HN LYS 11 1.688 5.220 5.205 67 HA LYS 11 HA LYS 11 -0.242 4.684 7.101 68 1HB LYS 11 HB2 LYS 11 -0.360 6.573 8.523 69 2HB LYS 11 HB3 LYS 11 1.304 5.936 8.670 70 1HG LYS 11 HG2 LYS 11 2.104 7.790 7.119 71 2HG LYS 11 HG3 LYS 11 0.420 8.431 7.100 72 1HD LYS 11 HD2 LYS 11 0.573 8.462 9.698 73 2HD LYS 11 HD3 LYS 11 2.349 8.317 9.472 74 1HE LYS 11 HE2 LYS 11 0.493 10.535 8.334 75 2HE LYS 11 HE3 LYS 11 1.633 10.713 9.727 76 1HZ LYS 11 HZ2 LYS 11 3.451 10.269 8.216 77 2HZ LYS 11 HZ3 LYS 11 2.373 10.113 6.911 78 3HZ LYS 11 HZ1 LYS 11 2.528 11.603 7.712 79 H GLU 12 HN GLU 12 1.301 6.915 4.736 80 HA GLU 12 HA GLU 12 -0.790 8.354 3.863 81 1HB GLU 12 HB2 GLU 12 1.849 8.304 3.528 82 2HB GLU 12 HB3 GLU 12 1.504 7.489 2.007 83 1HG GLU 12 HG2 GLU 12 0.336 10.217 2.920 84 2HG GLU 12 HG3 GLU 12 1.829 10.025 1.933 85 1HN ABA 13 HN ABA 13 0.250 5.130 2.702 86 HA ABA 13 HA ABA 13 -1.644 5.150 0.453 87 1HB ABA 13 HB3 ABA 13 0.681 4.950 -0.130 88 2HB ABA 13 HB2 ABA 13 -0.192 3.451 -0.506 89 1HG ABA 13 HG1 ABA 13 1.664 3.961 1.920 90 2HG ABA 13 HG2 ABA 13 0.836 2.384 1.585 91 3HG ABA 13 HG3 ABA 13 2.047 3.044 0.416 92 H TRP 14 HN TRP 14 -2.512 4.640 3.253 93 HA TRP 14 HA TRP 14 -3.268 1.848 3.284 94 1HB TRP 14 HB2 TRP 14 -3.669 4.169 5.241 95 2HB TRP 14 HB3 TRP 14 -4.431 2.560 5.491 96 HD1 TRP 14 HD1 TRP 14 -0.655 3.151 4.403 97 HE1 TRP 14 HE1 TRP 14 0.697 1.580 5.820 98 HE3 TRP 14 HE3 TRP 14 -4.336 1.671 7.641 99 HZ2 TRP 14 HZ2 TRP 14 0.325 -0.087 8.110 100 HZ3 TRP 14 HZ3 TRP 14 -3.779 0.003 9.378 101 HH2 TRP 14 HH2 TRP 14 -1.490 -0.920 9.551 102 H SER 15 HN SER 15 -4.690 4.855 2.089 103 HA SER 15 HA SER 15 -7.370 3.785 1.962 104 1HB SER 15 HB2 SER 15 -7.927 6.039 0.986 105 2HB SER 15 HB3 SER 15 -7.222 6.093 2.634 106 HG SER 15 HG SER 15 -6.328 7.631 1.278 107 H VAL 16 HN VAL 16 -4.532 3.321 0.341 108 HA VAL 16 HA VAL 16 -5.561 3.236 -2.379 109 HB VAL 16 HB VAL 16 -2.769 2.702 -1.244 110 1HG1 VAL 16 HG12 VAL 16 -3.744 3.084 -4.162 111 2HG1 VAL 16 HG13 VAL 16 -2.030 2.971 -3.602 112 3HG1 VAL 16 HG11 VAL 16 -3.105 1.549 -3.457 113 1HG2 VAL 16 HG21 VAL 16 -4.011 5.183 -2.613 114 2HG2 VAL 16 HG22 VAL 16 -3.496 5.073 -0.888 115 3HG2 VAL 16 HG23 VAL 16 -2.271 4.972 -2.195 116 H CYS 17 HN CYS 17 -4.530 1.047 0.308 117 HA CYS 17 HA CYS 17 -5.108 -1.384 -1.160 118 1HB CYS 17 HB2 CYS 17 -4.366 -0.637 1.713 119 2HB CYS 17 HB3 CYS 17 -4.949 -2.291 1.384 120 H GLN 18 HN GLN 18 -7.091 0.981 0.462 121 HA GLN 18 HA GLN 18 -9.109 -0.805 1.401 122 1HB GLN 18 HB2 GLN 18 -8.162 1.360 2.439 123 2HB GLN 18 HB3 GLN 18 -9.156 2.280 1.290 124 1HG GLN 18 HG2 GLN 18 -10.137 0.131 3.274 125 2HG GLN 18 HG3 GLN 18 -10.066 1.906 3.632 126 1HE2 GLN 18 HE22 GLN 18 -13.420 0.421 1.965 127 2HE2 GLN 18 HE21 GLN 18 -12.221 -0.505 2.804 128 H ARG 19 HN ARG 19 -8.932 1.894 -0.926 129 HA ARG 19 HA ARG 19 -11.511 1.463 -2.054 130 1HB ARG 19 HB2 ARG 19 -9.313 3.396 -2.832 131 2HB ARG 19 HB3 ARG 19 -10.955 3.306 -3.590 132 1HG ARG 19 HG2 ARG 19 -11.996 3.522 -1.359 133 2HG ARG 19 HG3 ARG 19 -10.401 3.990 -0.667 134 1HD ARG 19 HD2 ARG 19 -10.330 6.039 -1.890 135 2HD ARG 19 HD3 ARG 19 -11.328 5.329 -3.247 136 HE ARG 19 HE ARG 19 -13.044 5.299 -1.082 137 1HH1 ARG 19 HH12 ARG 19 -11.319 7.794 -2.967 138 2HH1 ARG 19 HH11 ARG 19 -12.593 8.963 -2.853 139 1HH2 ARG 19 HH22 ARG 19 -14.729 6.919 -0.877 140 2HH2 ARG 19 HH21 ARG 19 -14.554 8.458 -1.651 141 H LEU 20 HN LEU 20 -8.418 0.009 -2.805 142 HA LEU 20 HA LEU 20 -9.117 -0.650 -5.535 143 1HB LEU 20 HB2 LEU 20 -6.823 0.047 -5.041 144 2HB LEU 20 HB3 LEU 20 -6.666 -1.248 -3.815 145 HG LEU 20 HG LEU 20 -6.852 -2.968 -5.523 146 1HD1 LEU 20 HD11 LEU 20 -7.025 -0.691 -7.616 147 2HD1 LEU 20 HD12 LEU 20 -6.788 -2.437 -7.994 148 3HD1 LEU 20 HD13 LEU 20 -8.324 -1.886 -7.243 149 1HD2 LEU 20 HD21 LEU 20 -4.627 -2.074 -4.955 150 2HD2 LEU 20 HD22 LEU 20 -4.682 -2.618 -6.671 151 3HD2 LEU 20 HD23 LEU 20 -4.753 -0.858 -6.284 152 H HIS 21 HN HIS 21 -8.558 -2.275 -2.303 153 HA HIS 21 HA HIS 21 -9.906 -4.687 -3.320 154 1HB HIS 21 HB2 HIS 21 -7.693 -4.401 -1.206 155 2HB HIS 21 HB3 HIS 21 -8.537 -5.932 -1.651 156 HD1 HIS 21 HD1 HIS 21 -8.088 -6.718 -4.248 157 HD2 HIS 21 HD2 HIS 21 -5.579 -3.675 -2.819 158 HE1 HIS 21 HE1 HIS 21 -6.057 -6.570 -5.791 159 H ASN 22 HN ASN 22 -9.214 -4.625 -0.036 160 HA ASN 22 HA ASN 22 -11.271 -3.151 1.087 161 1HB ASN 22 HB2 ASN 22 -12.903 -4.958 1.818 162 2HB ASN 22 HB3 ASN 22 -12.987 -4.550 0.091 163 1HD2 ASN 22 HD22 ASN 22 -12.392 -8.414 1.198 164 2HD2 ASN 22 HD21 ASN 22 -12.750 -7.144 2.320 165 H THR 23 HN THR 23 -8.810 -3.065 1.879 166 HA THR 23 HA THR 23 -8.820 -4.499 4.387 167 HB THR 23 HB THR 23 -7.599 -5.983 2.690 168 HG1 THR 23 HG1 THR 23 -7.392 -6.143 4.903 169 1HG2 THR 23 HG22 THR 23 -6.296 -4.140 1.515 170 2HG2 THR 23 HG23 THR 23 -5.337 -3.915 3.040 171 3HG2 THR 23 HG21 THR 23 -5.266 -5.470 2.162 172 H SER 24 HN SER 24 -6.588 -3.627 5.506 173 HA SER 24 HA SER 24 -6.392 -0.725 5.029 174 1HB SER 24 HB2 SER 24 -6.671 -2.084 7.789 175 2HB SER 24 HB3 SER 24 -6.330 -0.333 7.494 176 HG SER 24 HG SER 24 -8.487 -0.754 7.912 177 H ARG 25 HN ARG 25 -4.944 -3.869 5.405 178 HA ARG 25 HA ARG 25 -2.490 -2.906 6.599 179 1HB ARG 25 HB2 ARG 25 -3.456 -5.740 5.924 180 2HB ARG 25 HB3 ARG 25 -1.856 -5.324 6.620 181 1HG ARG 25 HG2 ARG 25 -3.137 -6.087 8.415 182 2HG ARG 25 HG3 ARG 25 -2.944 -4.316 8.620 183 1HD ARG 25 HD2 ARG 25 -5.233 -5.148 9.279 184 2HD ARG 25 HD3 ARG 25 -5.323 -3.961 7.937 185 HE ARG 25 HE ARG 25 -5.677 -5.745 6.318 186 1HH1 ARG 25 HH12 ARG 25 -5.844 -6.890 9.718 187 2HH1 ARG 25 HH11 ARG 25 -6.619 -8.383 9.301 188 1HH2 ARG 25 HH22 ARG 25 -6.712 -7.765 5.813 189 2HH2 ARG 25 HH21 ARG 25 -7.113 -8.882 7.076 190 H GLY 26 HN GLY 26 -0.832 -2.438 5.489 191 1HA GLY 26 HA1 GLY 26 0.163 -3.399 3.111 192 2HA GLY 26 HA2 GLY 26 -0.955 -2.006 2.739 193 H LYS 27 HN LYS 27 2.074 -2.210 2.622 194 HA LYS 27 HA LYS 27 2.732 0.079 4.345 195 1HB LYS 27 HB2 LYS 27 4.598 -2.349 3.928 196 2HB LYS 27 HB3 LYS 27 4.895 -0.900 4.955 197 1HG LYS 27 HG2 LYS 27 3.045 -1.648 6.480 198 2HG LYS 27 HG3 LYS 27 2.768 -3.073 5.415 199 1HD LYS 27 HD2 LYS 27 5.209 -3.735 5.793 200 2HD LYS 27 HD3 LYS 27 5.264 -2.504 7.102 201 1HE LYS 27 HE2 LYS 27 3.338 -4.934 6.920 202 2HE LYS 27 HE3 LYS 27 4.772 -4.789 8.015 203 1HZ LYS 27 HZ1 LYS 27 2.353 -3.059 8.049 204 2HZ LYS 27 HZ2 LYS 27 2.716 -4.318 9.130 205 3HZ LYS 27 HZ3 LYS 27 3.694 -2.928 9.085 206 H CYS 28 HN CYS 28 5.481 -0.080 3.250 207 HA CYS 28 HA CYS 28 5.305 -0.481 0.428 208 1HB CYS 28 HB2 CYS 28 6.091 1.858 -0.213 209 2HB CYS 28 HB3 CYS 28 4.419 1.717 0.363 210 H MET 29 HN MET 29 7.543 0.155 -0.569 211 HA MET 29 HA MET 29 9.624 -0.887 1.176 212 1HB MET 29 HB2 MET 29 8.790 -1.883 -1.121 213 2HB MET 29 HB3 MET 29 9.894 -0.701 -1.847 214 1HG MET 29 HG2 MET 29 10.566 -2.779 0.349 215 2HG MET 29 HG3 MET 29 10.753 -3.084 -1.399 216 1HE MET 29 HE2 MET 29 13.081 -3.969 -0.147 217 2HE MET 29 HE3 MET 29 14.319 -2.845 0.517 218 3HE MET 29 HE1 MET 29 12.758 -3.068 1.377 219 H ASN 30 HN ASN 30 11.125 0.613 -1.321 220 HA ASN 30 HA ASN 30 11.826 2.921 0.239 221 1HB ASN 30 HB2 ASN 30 13.552 3.322 -1.570 222 2HB ASN 30 HB3 ASN 30 13.660 1.820 -0.609 223 1HD2 ASN 30 HD22 ASN 30 14.473 0.396 -3.758 224 2HD2 ASN 30 HD21 ASN 30 15.111 1.136 -2.329 225 H LYS 31 HN LYS 31 10.049 2.360 -2.753 226 HA LYS 31 HA LYS 31 9.396 5.224 -2.988 227 1HB LYS 31 HB2 LYS 31 10.864 3.432 -4.992 228 2HB LYS 31 HB3 LYS 31 10.000 4.877 -5.570 229 1HG LYS 31 HG2 LYS 31 12.253 4.913 -3.532 230 2HG LYS 31 HG3 LYS 31 12.397 5.283 -5.289 231 1HD LYS 31 HD2 LYS 31 10.730 6.854 -3.228 232 2HD LYS 31 HD3 LYS 31 12.349 7.319 -3.850 233 1HE LYS 31 HE2 LYS 31 11.406 7.518 -6.186 234 2HE LYS 31 HE3 LYS 31 9.761 7.106 -5.547 235 1HZ LYS 31 HZ1 LYS 31 11.420 9.434 -4.739 236 2HZ LYS 31 HZ2 LYS 31 10.071 9.452 -5.773 237 3HZ LYS 31 HZ3 LYS 31 9.880 9.040 -4.136 238 H LYS 32 HN LYS 32 7.939 2.086 -2.932 239 HA LYS 32 HA LYS 32 5.791 3.164 -4.552 240 1HB LYS 32 HB2 LYS 32 5.538 1.421 -6.018 241 2HB LYS 32 HB3 LYS 32 7.214 2.003 -6.204 242 1HG LYS 32 HG2 LYS 32 7.981 0.081 -4.675 243 2HG LYS 32 HG3 LYS 32 6.320 -0.605 -4.831 244 1HD LYS 32 HD2 LYS 32 6.560 -0.579 -7.319 245 2HD LYS 32 HD3 LYS 32 8.225 0.072 -7.146 246 1HE LYS 32 HE2 LYS 32 7.264 -2.685 -6.075 247 2HE LYS 32 HE3 LYS 32 8.245 -2.418 -7.573 248 1HZ LYS 32 HZ1 LYS 32 9.975 -1.468 -6.205 249 2HZ LYS 32 HZ2 LYS 32 9.051 -1.710 -4.801 250 3HZ LYS 32 HZ3 LYS 32 9.592 -3.045 -5.703 251 1HN ABA 33 HN ABA 33 3.755 2.089 -4.206 252 HA ABA 33 HA ABA 33 3.384 1.416 -1.488 253 1HB ABA 33 HB3 ABA 33 1.491 1.632 -3.870 254 2HB ABA 33 HB2 ABA 33 1.930 2.903 -2.672 255 1HG ABA 33 HG1 ABA 33 1.002 1.515 -0.834 256 2HG ABA 33 HG2 ABA 33 -0.234 2.067 -2.040 257 3HG ABA 33 HG3 ABA 33 0.326 0.355 -2.022 258 H ARG 34 HN ARG 34 2.544 -0.550 -0.646 259 HA ARG 34 HA ARG 34 2.423 -2.892 -2.386 260 1HB ARG 34 HB2 ARG 34 4.732 -2.476 -1.021 261 2HB ARG 34 HB3 ARG 34 3.802 -3.130 0.347 262 1HG ARG 34 HG2 ARG 34 5.122 -4.861 -0.742 263 2HG ARG 34 HG3 ARG 34 3.392 -5.237 -1.061 264 1HD ARG 34 HD2 ARG 34 3.570 -4.401 -3.378 265 2HD ARG 34 HD3 ARG 34 5.202 -3.707 -3.070 266 HE ARG 34 HE ARG 34 4.450 -6.597 -3.455 267 1HH1 ARG 34 HH22 ARG 34 7.052 -4.276 -2.639 268 2HH1 ARG 34 HH21 ARG 34 8.329 -5.387 -3.009 269 1HH2 ARG 34 HH12 ARG 34 6.187 -8.058 -3.947 270 2HH2 ARG 34 HH11 ARG 34 7.832 -7.553 -3.758 271 H CYS 35 HN CYS 35 1.420 -4.764 -0.921 272 HA CYS 35 HA CYS 35 -0.553 -3.723 0.897 273 1HB CYS 35 HB2 CYS 35 -1.366 -3.617 -1.651 274 2HB CYS 35 HB3 CYS 35 -1.662 -5.357 -1.447 275 H TYR 36 HN TYR 36 -1.233 -5.261 2.254 276 HA TYR 36 HA TYR 36 0.197 -7.849 2.276 277 1HB TYR 36 HB2 TYR 36 0.487 -5.441 4.173 278 2HB TYR 36 HB3 TYR 36 0.901 -7.104 4.755 279 HD1 TYR 36 HD2 TYR 36 2.430 -8.454 2.933 280 HD2 TYR 36 HD1 TYR 36 2.260 -4.205 3.452 281 HE1 TYR 36 HE2 TYR 36 4.700 -8.245 1.971 282 HE2 TYR 36 HE1 TYR 36 4.506 -3.973 2.479 283 HH TYR 36 HH TYR 36 6.366 -6.851 1.374 284 H SER 37 HN SER 37 -2.150 -8.278 1.749 285 HA SER 37 HA SER 37 -3.966 -8.099 4.035 286 1HB SER 37 HB2 SER 37 -4.771 -7.540 1.705 287 2HB SER 37 HB3 SER 37 -4.459 -9.245 1.225 288 HG SER 37 HG SER 37 -6.610 -8.806 1.869 No H/Q in entry = 288 Start of MODEL 5 1 HA PCA 1 HA PGL 1 -3.317 -8.287 -4.894 2 1HB PCA 1 HB2 PGL 1 -0.505 -9.011 -5.805 3 2HB PCA 1 HB3 PGL 1 -1.811 -10.066 -5.157 4 1HG PCA 1 HG2 PGL 1 -1.018 -9.755 -7.911 5 2HG PCA 1 HG3 PGL 1 -2.556 -10.542 -7.332 6 HN PCA 1 HN PGL 1 -3.526 -6.724 -6.848 7 H PHE 2 HN PHE 2 -0.698 -6.492 -6.591 8 HA PHE 2 HA PHE 2 -0.089 -4.891 -4.194 9 1HB PHE 2 HB2 PHE 2 1.772 -5.581 -6.570 10 2HB PHE 2 HB3 PHE 2 2.216 -4.731 -5.041 11 HD1 PHE 2 HD1 PHE 2 1.131 -6.370 -2.886 12 HD2 PHE 2 HD2 PHE 2 2.781 -7.627 -6.657 13 HE1 PHE 2 HE1 PHE 2 1.728 -8.546 -1.902 14 HE2 PHE 2 HE2 PHE 2 3.368 -9.813 -5.665 15 HZ PHE 2 HZ PHE 2 2.848 -10.276 -3.284 16 H THR 3 HN THR 3 0.676 -2.623 -4.870 17 HA THR 3 HA THR 3 -1.008 -1.672 -7.086 18 HB THR 3 HB THR 3 -1.751 0.060 -5.968 19 HG1 THR 3 HG1 THR 3 0.384 0.154 -4.144 20 1HG2 THR 3 HG23 THR 3 -2.245 -2.054 -4.544 21 2HG2 THR 3 HG21 THR 3 -0.874 -1.588 -3.488 22 3HG2 THR 3 HG22 THR 3 -2.305 -0.513 -3.632 23 H ASN 4 HN ASN 4 -0.152 0.552 -7.968 24 HA ASN 4 HA ASN 4 2.761 0.628 -8.197 25 1HB ASN 4 HB2 ASN 4 2.504 1.138 -10.692 26 2HB ASN 4 HB3 ASN 4 2.256 -0.559 -10.209 27 1HD2 ASN 4 HD22 ASN 4 -1.094 -0.794 -11.343 28 2HD2 ASN 4 HD21 ASN 4 0.227 -1.558 -10.520 29 H VAL 5 HN VAL 5 1.262 1.957 -6.403 30 HA VAL 5 HA VAL 5 1.202 4.775 -7.257 31 HB VAL 5 HB VAL 5 0.091 3.173 -4.891 32 1HG1 VAL 5 HG13 VAL 5 0.250 6.243 -5.154 33 2HG1 VAL 5 HG11 VAL 5 -0.849 5.355 -4.028 34 3HG1 VAL 5 HG12 VAL 5 0.926 5.199 -3.830 35 1HG2 VAL 5 HG22 VAL 5 -1.183 4.920 -7.100 36 2HG2 VAL 5 HG23 VAL 5 -1.256 3.122 -6.975 37 3HG2 VAL 5 HG21 VAL 5 -2.079 4.144 -5.745 38 H SER 6 HN SER 6 2.571 6.240 -5.803 39 HA SER 6 HA SER 6 5.047 4.905 -5.034 40 1HB SER 6 HB2 SER 6 6.020 7.242 -4.985 41 2HB SER 6 HB3 SER 6 5.461 6.616 -6.563 42 HG SER 6 HG SER 6 4.006 8.350 -4.855 43 H CYS 7 HN CYS 7 5.959 4.950 -2.986 44 HA CYS 7 HA CYS 7 4.453 6.333 -0.818 45 1HB CYS 7 HB2 CYS 7 3.217 4.444 -0.837 46 2HB CYS 7 HB3 CYS 7 4.566 3.346 -1.014 47 H THR 8 HN THR 8 5.625 6.739 0.945 48 HA THR 8 HA THR 8 8.441 5.953 1.130 49 HB THR 8 HB THR 8 8.947 8.248 2.125 50 HG1 THR 8 HG1 THR 8 6.557 8.856 0.715 51 1HG2 THR 8 HG23 THR 8 9.723 7.458 -0.134 52 2HG2 THR 8 HG21 THR 8 8.220 8.113 -0.879 53 3HG2 THR 8 HG22 THR 8 9.394 9.229 -0.093 54 H THR 9 HN THR 9 5.454 7.195 2.754 55 HA THR 9 HA THR 9 6.367 6.063 5.319 56 HB THR 9 HB THR 9 4.572 7.637 6.286 57 HG1 THR 9 HG1 THR 9 4.929 8.783 3.712 58 1HG2 THR 9 HG21 THR 9 7.039 7.982 6.466 59 2HG2 THR 9 HG22 THR 9 7.042 8.839 4.876 60 3HG2 THR 9 HG23 THR 9 6.139 9.534 6.277 61 H SER 10 HN SER 10 5.131 4.605 6.402 62 HA SER 10 HA SER 10 2.886 3.355 5.041 63 1HB SER 10 HB2 SER 10 4.700 1.909 5.831 64 2HB SER 10 HB3 SER 10 4.523 2.532 7.514 65 HG SER 10 HG SER 10 2.387 1.652 7.429 66 H LYS 11 HN LYS 11 1.480 5.112 5.240 67 HA LYS 11 HA LYS 11 -0.411 4.996 7.212 68 1HB LYS 11 HB2 LYS 11 1.151 6.261 8.701 69 2HB LYS 11 HB3 LYS 11 1.323 7.547 7.465 70 1HG LYS 11 HG2 LYS 11 -0.999 8.246 7.808 71 2HG LYS 11 HG3 LYS 11 -1.384 6.722 8.686 72 1HD LYS 11 HD2 LYS 11 -1.253 8.565 10.264 73 2HD LYS 11 HD3 LYS 11 0.058 7.376 10.575 74 1HE LYS 11 HE2 LYS 11 1.724 8.912 9.459 75 2HE LYS 11 HE3 LYS 11 0.394 10.094 9.116 76 1HZ LYS 11 HZ3 LYS 11 1.255 9.163 11.805 77 2HZ LYS 11 HZ1 LYS 11 1.652 10.646 11.080 78 3HZ LYS 11 HZ2 LYS 11 0.035 10.297 11.472 79 H GLU 12 HN GLU 12 1.380 6.931 4.772 80 HA GLU 12 HA GLU 12 -0.384 8.448 3.563 81 1HB GLU 12 HB2 GLU 12 2.147 8.061 3.425 82 2HB GLU 12 HB3 GLU 12 1.846 6.784 2.226 83 1HG GLU 12 HG2 GLU 12 0.691 8.572 0.769 84 2HG GLU 12 HG3 GLU 12 1.140 9.773 2.044 85 1HN ABA 13 HN ABA 13 0.208 5.001 2.783 86 HA ABA 13 HA ABA 13 -1.646 5.091 0.487 87 1HB ABA 13 HB3 ABA 13 0.751 4.868 -0.047 88 2HB ABA 13 HB2 ABA 13 -0.187 3.448 -0.537 89 1HG ABA 13 HG1 ABA 13 2.004 2.886 0.432 90 2HG ABA 13 HG2 ABA 13 1.589 3.700 1.985 91 3HG ABA 13 HG3 ABA 13 0.724 2.180 1.490 92 H TRP 14 HN TRP 14 -2.381 4.525 3.350 93 HA TRP 14 HA TRP 14 -3.129 1.732 3.333 94 1HB TRP 14 HB2 TRP 14 -3.422 4.014 5.366 95 2HB TRP 14 HB3 TRP 14 -4.163 2.398 5.632 96 HD1 TRP 14 HD1 TRP 14 -0.463 3.077 4.340 97 HE1 TRP 14 HE1 TRP 14 0.984 1.435 5.581 98 HE3 TRP 14 HE3 TRP 14 -3.902 1.472 7.768 99 HZ2 TRP 14 HZ2 TRP 14 0.779 -0.288 7.853 100 HZ3 TRP 14 HZ3 TRP 14 -3.221 -0.235 9.423 101 HH2 TRP 14 HH2 TRP 14 -0.920 -1.141 9.427 102 H SER 15 HN SER 15 -4.609 4.748 2.282 103 HA SER 15 HA SER 15 -7.251 3.597 2.089 104 1HB SER 15 HB2 SER 15 -7.870 5.865 1.175 105 2HB SER 15 HB3 SER 15 -7.213 5.890 2.842 106 HG SER 15 HG SER 15 -5.201 6.452 1.980 107 H VAL 16 HN VAL 16 -4.377 3.232 0.435 108 HA VAL 16 HA VAL 16 -5.528 3.190 -2.253 109 HB VAL 16 HB VAL 16 -2.669 2.686 -1.291 110 1HG1 VAL 16 HG11 VAL 16 -3.860 3.024 -4.129 111 2HG1 VAL 16 HG12 VAL 16 -2.102 3.012 -3.725 112 3HG1 VAL 16 HG13 VAL 16 -3.075 1.534 -3.479 113 1HG2 VAL 16 HG21 VAL 16 -4.039 5.146 -2.567 114 2HG2 VAL 16 HG22 VAL 16 -3.426 5.039 -0.876 115 3HG2 VAL 16 HG23 VAL 16 -2.273 4.975 -2.248 116 H CYS 17 HN CYS 17 -4.528 0.976 0.406 117 HA CYS 17 HA CYS 17 -5.127 -1.402 -1.181 118 1HB CYS 17 HB2 CYS 17 -4.117 -0.834 1.625 119 2HB CYS 17 HB3 CYS 17 -4.839 -2.436 1.311 120 H GLN 18 HN GLN 18 -6.999 0.934 0.529 121 HA GLN 18 HA GLN 18 -9.171 -0.804 1.220 122 1HB GLN 18 HB2 GLN 18 -8.276 1.175 2.550 123 2HB GLN 18 HB3 GLN 18 -8.938 2.261 1.290 124 1HG GLN 18 HG2 GLN 18 -11.240 1.283 1.733 125 2HG GLN 18 HG3 GLN 18 -10.506 0.222 2.999 126 1HE2 GLN 18 HE22 GLN 18 -9.732 3.042 5.247 127 2HE2 GLN 18 HE21 GLN 18 -9.028 1.582 4.639 128 H ARG 19 HN ARG 19 -8.213 1.546 -1.304 129 HA ARG 19 HA ARG 19 -10.768 1.638 -2.621 130 1HB ARG 19 HB2 ARG 19 -8.024 2.874 -3.109 131 2HB ARG 19 HB3 ARG 19 -9.344 3.076 -4.309 132 1HG ARG 19 HG2 ARG 19 -9.802 3.794 -1.376 133 2HG ARG 19 HG3 ARG 19 -8.947 4.919 -2.477 134 1HD ARG 19 HD2 ARG 19 -11.743 3.763 -3.096 135 2HD ARG 19 HD3 ARG 19 -11.484 5.323 -2.224 136 HE ARG 19 HE ARG 19 -10.939 4.723 -5.116 137 1HH1 ARG 19 HH22 ARG 19 -10.528 7.072 -2.446 138 2HH1 ARG 19 HH21 ARG 19 -10.126 8.389 -3.494 139 1HH2 ARG 19 HH12 ARG 19 -10.393 6.511 -6.499 140 2HH2 ARG 19 HH11 ARG 19 -10.048 8.064 -5.821 141 H LEU 20 HN LEU 20 -7.751 -0.257 -2.979 142 HA LEU 20 HA LEU 20 -8.417 -1.113 -5.656 143 1HB LEU 20 HB2 LEU 20 -6.088 -0.531 -5.121 144 2HB LEU 20 HB3 LEU 20 -6.061 -1.741 -3.805 145 HG LEU 20 HG LEU 20 -6.379 -3.562 -5.438 146 1HD1 LEU 20 HD12 LEU 20 -7.628 -2.415 -7.282 147 2HD1 LEU 20 HD13 LEU 20 -6.177 -1.406 -7.648 148 3HD1 LEU 20 HD11 LEU 20 -6.134 -3.191 -7.908 149 1HD2 LEU 20 HD21 LEU 20 -4.113 -2.938 -4.787 150 2HD2 LEU 20 HD22 LEU 20 -4.132 -3.494 -6.500 151 3HD2 LEU 20 HD23 LEU 20 -4.010 -1.732 -6.129 152 H HIS 21 HN HIS 21 -8.178 -2.467 -2.268 153 HA HIS 21 HA HIS 21 -9.559 -4.902 -3.162 154 1HB HIS 21 HB2 HIS 21 -7.471 -4.496 -0.933 155 2HB HIS 21 HB3 HIS 21 -8.360 -6.027 -1.277 156 HD1 HIS 21 HD1 HIS 21 -7.787 -7.128 -3.699 157 HD2 HIS 21 HD2 HIS 21 -5.206 -4.036 -2.504 158 HE1 HIS 21 HE1 HIS 21 -5.664 -7.259 -5.118 159 H ASN 22 HN ASN 22 -9.124 -4.617 0.120 160 HA ASN 22 HA ASN 22 -11.113 -2.907 0.992 161 1HB ASN 22 HB2 ASN 22 -12.910 -4.624 1.733 162 2HB ASN 22 HB3 ASN 22 -12.920 -4.140 0.026 163 1HD2 ASN 22 HD22 ASN 22 -12.508 -7.385 -1.290 164 2HD2 ASN 22 HD21 ASN 22 -12.737 -5.693 -1.580 165 H THR 23 HN THR 23 -8.744 -2.942 1.936 166 HA THR 23 HA THR 23 -8.921 -4.315 4.475 167 HB THR 23 HB THR 23 -7.766 -5.898 2.822 168 HG1 THR 23 HG1 THR 23 -7.660 -6.072 5.023 169 1HG2 THR 23 HG21 THR 23 -6.283 -4.207 1.658 170 2HG2 THR 23 HG22 THR 23 -5.357 -4.001 3.202 171 3HG2 THR 23 HG23 THR 23 -5.385 -5.590 2.385 172 H SER 24 HN SER 24 -6.373 -3.546 5.400 173 HA SER 24 HA SER 24 -6.449 -0.619 5.197 174 1HB SER 24 HB2 SER 24 -6.374 -0.381 7.684 175 2HB SER 24 HB3 SER 24 -7.923 -1.052 7.074 176 HG SER 24 HG SER 24 -5.851 -2.343 8.457 177 H ARG 25 HN ARG 25 -4.737 -3.676 5.895 178 HA ARG 25 HA ARG 25 -2.283 -2.297 6.524 179 1HB ARG 25 HB2 ARG 25 -1.388 -4.662 6.894 180 2HB ARG 25 HB3 ARG 25 -2.554 -3.985 8.052 181 1HG ARG 25 HG2 ARG 25 -3.649 -5.678 5.776 182 2HG ARG 25 HG3 ARG 25 -2.804 -6.480 7.139 183 1HD ARG 25 HD2 ARG 25 -4.336 -5.681 8.793 184 2HD ARG 25 HD3 ARG 25 -5.052 -4.462 7.662 185 HE ARG 25 HE ARG 25 -5.793 -6.443 6.221 186 1HH1 ARG 25 HH22 ARG 25 -5.512 -6.805 9.781 187 2HH1 ARG 25 HH21 ARG 25 -6.747 -8.016 9.874 188 1HH2 ARG 25 HH12 ARG 25 -7.436 -8.068 6.392 189 2HH2 ARG 25 HH11 ARG 25 -7.849 -8.737 7.937 190 H GLY 26 HN GLY 26 -0.732 -2.000 5.162 191 1HA GLY 26 HA1 GLY 26 0.050 -3.224 2.863 192 2HA GLY 26 HA2 GLY 26 -1.331 -2.119 2.419 193 H LYS 27 HN LYS 27 1.991 -2.361 3.100 194 HA LYS 27 HA LYS 27 2.399 0.363 4.025 195 1HB LYS 27 HB2 LYS 27 4.314 -2.064 4.157 196 2HB LYS 27 HB3 LYS 27 4.421 -0.509 5.059 197 1HG LYS 27 HG2 LYS 27 2.261 -1.197 6.257 198 2HG LYS 27 HG3 LYS 27 2.346 -2.769 5.393 199 1HD LYS 27 HD2 LYS 27 4.677 -3.108 6.379 200 2HD LYS 27 HD3 LYS 27 4.391 -1.664 7.407 201 1HE LYS 27 HE2 LYS 27 2.689 -4.265 7.374 202 2HE LYS 27 HE3 LYS 27 3.890 -3.791 8.644 203 1HZ LYS 27 HZ2 LYS 27 2.530 -1.876 9.137 204 2HZ LYS 27 HZ3 LYS 27 1.405 -2.321 7.945 205 3HZ LYS 27 HZ1 LYS 27 1.646 -3.319 9.298 206 H CYS 28 HN CYS 28 5.339 -0.104 3.257 207 HA CYS 28 HA CYS 28 5.324 -0.573 0.433 208 1HB CYS 28 HB2 CYS 28 6.253 1.748 -0.195 209 2HB CYS 28 HB3 CYS 28 4.546 1.634 0.247 210 H MET 29 HN MET 29 7.526 -0.075 -0.502 211 HA MET 29 HA MET 29 9.660 -0.958 1.253 212 1HB MET 29 HB2 MET 29 8.895 -1.989 -1.037 213 2HB MET 29 HB3 MET 29 9.845 -0.701 -1.791 214 1HG MET 29 HG2 MET 29 10.886 -2.710 0.335 215 2HG MET 29 HG3 MET 29 10.852 -3.040 -1.414 216 1HE MET 29 HE2 MET 29 12.323 -0.560 1.343 217 2HE MET 29 HE3 MET 29 13.062 -2.197 1.393 218 3HE MET 29 HE1 MET 29 14.058 -0.772 0.934 219 H ASN 30 HN ASN 30 11.130 0.631 -1.213 220 HA ASN 30 HA ASN 30 11.558 3.030 0.311 221 1HB ASN 30 HB2 ASN 30 13.370 3.538 -1.316 222 2HB ASN 30 HB3 ASN 30 13.517 2.003 -0.417 223 1HD2 ASN 30 HD22 ASN 30 14.673 0.989 -3.661 224 2HD2 ASN 30 HD21 ASN 30 15.166 1.806 -2.213 225 H LYS 31 HN LYS 31 9.910 2.224 -2.706 226 HA LYS 31 HA LYS 31 9.220 5.056 -3.139 227 1HB LYS 31 HB2 LYS 31 10.689 3.157 -5.023 228 2HB LYS 31 HB3 LYS 31 9.842 4.581 -5.668 229 1HG LYS 31 HG2 LYS 31 12.094 4.658 -3.629 230 2HG LYS 31 HG3 LYS 31 12.257 4.982 -5.389 231 1HD LYS 31 HD2 LYS 31 10.522 6.686 -3.473 232 2HD LYS 31 HD3 LYS 31 12.249 6.977 -3.810 233 1HE LYS 31 HE2 LYS 31 11.017 8.504 -5.198 234 2HE LYS 31 HE3 LYS 31 11.727 7.245 -6.286 235 1HZ LYS 31 HZ3 LYS 31 8.919 7.364 -5.304 236 2HZ LYS 31 HZ1 LYS 31 9.473 7.772 -6.858 237 3HZ LYS 31 HZ2 LYS 31 9.572 6.166 -6.317 238 H LYS 32 HN LYS 32 7.844 1.770 -3.126 239 HA LYS 32 HA LYS 32 5.562 3.037 -4.398 240 1HB LYS 32 HB2 LYS 32 5.100 1.523 -5.980 241 2HB LYS 32 HB3 LYS 32 6.858 1.744 -6.192 242 1HG LYS 32 HG2 LYS 32 7.241 -0.404 -4.861 243 2HG LYS 32 HG3 LYS 32 5.449 -0.621 -4.789 244 1HD LYS 32 HD2 LYS 32 5.394 -0.431 -7.301 245 2HD LYS 32 HD3 LYS 32 7.190 -0.615 -7.272 246 1HE LYS 32 HE2 LYS 32 6.933 -2.857 -6.117 247 2HE LYS 32 HE3 LYS 32 5.139 -2.622 -6.051 248 1HZ LYS 32 HZ3 LYS 32 5.099 -2.610 -8.443 249 2HZ LYS 32 HZ1 LYS 32 6.781 -2.844 -8.516 250 3HZ LYS 32 HZ2 LYS 32 5.783 -4.044 -7.845 251 1HN ABA 33 HN ABA 33 3.614 2.186 -3.874 252 HA ABA 33 HA ABA 33 3.267 1.104 -1.288 253 1HB ABA 33 HB3 ABA 33 1.453 1.935 -3.583 254 2HB ABA 33 HB2 ABA 33 1.866 2.859 -2.125 255 1HG ABA 33 HG1 ABA 33 0.732 1.155 -0.693 256 2HG ABA 33 HG2 ABA 33 -0.388 1.958 -1.878 257 3HG ABA 33 HG3 ABA 33 0.158 0.271 -2.160 258 H ARG 34 HN ARG 34 2.745 -0.960 -0.723 259 HA ARG 34 HA ARG 34 2.204 -2.985 -2.791 260 1HB ARG 34 HB2 ARG 34 4.533 -2.854 -1.247 261 2HB ARG 34 HB3 ARG 34 3.525 -3.946 -0.259 262 1HG ARG 34 HG2 ARG 34 3.044 -5.239 -2.438 263 2HG ARG 34 HG3 ARG 34 4.306 -4.243 -3.232 264 1HD ARG 34 HD2 ARG 34 4.713 -6.129 -0.804 265 2HD ARG 34 HD3 ARG 34 5.175 -6.464 -2.530 266 HE ARG 34 HE ARG 34 6.282 -3.970 -1.282 267 1HH1 ARG 34 HH22 ARG 34 6.869 -7.403 -2.114 268 2HH1 ARG 34 HH21 ARG 34 8.573 -7.315 -1.812 269 1HH2 ARG 34 HH12 ARG 34 8.566 -3.887 -0.877 270 2HH2 ARG 34 HH11 ARG 34 9.547 -5.297 -1.101 271 H CYS 35 HN CYS 35 1.407 -5.010 -1.027 272 HA CYS 35 HA CYS 35 -0.533 -3.891 0.768 273 1HB CYS 35 HB2 CYS 35 -1.473 -4.197 -1.768 274 2HB CYS 35 HB3 CYS 35 -1.753 -5.858 -1.213 275 H TYR 36 HN TYR 36 -1.135 -5.328 2.282 276 HA TYR 36 HA TYR 36 0.485 -7.779 2.563 277 1HB TYR 36 HB2 TYR 36 0.663 -5.125 4.121 278 2HB TYR 36 HB3 TYR 36 1.195 -6.658 4.916 279 HD1 TYR 36 HD2 TYR 36 2.732 -8.174 3.156 280 HD2 TYR 36 HD1 TYR 36 2.398 -3.908 3.327 281 HE1 TYR 36 HE2 TYR 36 5.024 -7.955 2.227 282 HE2 TYR 36 HE1 TYR 36 4.666 -3.665 2.400 283 HH TYR 36 HH TYR 36 6.671 -6.555 1.628 284 H SER 37 HN SER 37 -1.902 -8.325 2.154 285 HA SER 37 HA SER 37 -3.655 -7.923 4.453 286 1HB SER 37 HB2 SER 37 -4.517 -7.626 2.108 287 2HB SER 37 HB3 SER 37 -4.192 -9.366 1.793 288 HG SER 37 HG SER 37 -6.326 -8.939 2.424 No H/Q in entry = 288 Start of MODEL 6 1 HA PCA 1 HA PGL 1 -3.175 -8.236 -5.172 2 1HB PCA 1 HB2 PGL 1 -2.618 -8.561 -2.158 3 2HB PCA 1 HB3 PGL 1 -4.179 -8.763 -3.042 4 1HG PCA 1 HG2 PGL 1 -2.525 -10.886 -2.239 5 2HG PCA 1 HG3 PGL 1 -3.540 -10.976 -3.751 6 HN PCA 1 HN PGL 1 -0.681 -8.871 -5.340 7 H PHE 2 HN PHE 2 -0.531 -7.107 -5.592 8 HA PHE 2 HA PHE 2 -0.142 -4.967 -3.648 9 1HB PHE 2 HB2 PHE 2 1.678 -5.801 -6.001 10 2HB PHE 2 HB3 PHE 2 2.115 -4.778 -4.579 11 HD1 PHE 2 HD1 PHE 2 1.880 -5.903 -2.232 12 HD2 PHE 2 HD2 PHE 2 2.013 -8.099 -5.921 13 HE1 PHE 2 HE1 PHE 2 2.527 -7.952 -0.997 14 HE2 PHE 2 HE2 PHE 2 2.661 -10.138 -4.687 15 HZ PHE 2 HZ PHE 2 2.916 -10.070 -2.219 16 H THR 3 HN THR 3 0.452 -2.786 -4.477 17 HA THR 3 HA THR 3 -1.035 -1.992 -6.888 18 HB THR 3 HB THR 3 -1.114 0.251 -5.938 19 HG1 THR 3 HG1 THR 3 -0.394 0.567 -3.813 20 1HG2 THR 3 HG22 THR 3 -2.874 -1.521 -5.345 21 2HG2 THR 3 HG23 THR 3 -1.994 -1.807 -3.797 22 3HG2 THR 3 HG21 THR 3 -2.697 -0.193 -4.124 23 H ASN 4 HN ASN 4 0.171 0.241 -7.718 24 HA ASN 4 HA ASN 4 3.054 -0.002 -7.740 25 1HB ASN 4 HB2 ASN 4 3.038 0.078 -10.335 26 2HB ASN 4 HB3 ASN 4 2.722 -1.496 -9.562 27 1HD2 ASN 4 HD22 ASN 4 -0.243 0.307 -11.842 28 2HD2 ASN 4 HD21 ASN 4 1.171 1.195 -11.386 29 H VAL 5 HN VAL 5 1.528 1.781 -6.371 30 HA VAL 5 HA VAL 5 1.647 4.288 -7.885 31 HB VAL 5 HB VAL 5 1.069 4.266 -4.909 32 1HG1 VAL 5 HG13 VAL 5 -0.146 5.684 -7.384 33 2HG1 VAL 5 HG11 VAL 5 -0.561 6.001 -5.658 34 3HG1 VAL 5 HG12 VAL 5 1.080 6.397 -6.271 35 1HG2 VAL 5 HG22 VAL 5 -0.824 3.074 -7.026 36 2HG2 VAL 5 HG23 VAL 5 -0.176 2.299 -5.514 37 3HG2 VAL 5 HG21 VAL 5 -1.322 3.680 -5.408 38 H SER 6 HN SER 6 2.796 6.099 -6.179 39 HA SER 6 HA SER 6 5.398 4.960 -5.337 40 1HB SER 6 HB2 SER 6 6.275 7.354 -5.491 41 2HB SER 6 HB3 SER 6 5.964 6.476 -7.012 42 HG SER 6 HG SER 6 3.946 7.542 -7.124 43 H CYS 7 HN CYS 7 5.967 5.116 -3.253 44 HA CYS 7 HA CYS 7 3.957 6.359 -1.432 45 1HB CYS 7 HB2 CYS 7 4.322 4.887 0.214 46 2HB CYS 7 HB3 CYS 7 4.455 3.882 -1.221 47 H THR 8 HN THR 8 4.884 7.205 0.678 48 HA THR 8 HA THR 8 7.615 8.255 0.494 49 HB THR 8 HB THR 8 6.946 10.228 1.900 50 HG1 THR 8 HG1 THR 8 4.782 10.905 1.580 51 1HG2 THR 8 HG21 THR 8 7.532 10.402 -0.516 52 2HG2 THR 8 HG22 THR 8 5.816 10.093 -0.975 53 3HG2 THR 8 HG23 THR 8 6.247 11.583 -0.062 54 H THR 9 HN THR 9 4.754 7.586 2.639 55 HA THR 9 HA THR 9 6.569 6.215 4.523 56 HB THR 9 HB THR 9 5.033 7.078 6.369 57 HG1 THR 9 HG1 THR 9 3.961 8.975 5.916 58 1HG2 THR 9 HG21 THR 9 7.371 7.904 5.931 59 2HG2 THR 9 HG22 THR 9 6.698 9.191 4.855 60 3HG2 THR 9 HG23 THR 9 6.281 9.166 6.610 61 H SER 10 HN SER 10 5.589 4.625 5.808 62 HA SER 10 HA SER 10 3.257 3.222 4.794 63 1HB SER 10 HB2 SER 10 5.168 1.801 5.199 64 2HB SER 10 HB3 SER 10 5.470 2.543 6.814 65 HG SER 10 HG SER 10 4.503 0.516 6.910 66 H LYS 11 HN LYS 11 1.745 4.832 5.296 67 HA LYS 11 HA LYS 11 0.395 4.777 7.692 68 1HB LYS 11 HB2 LYS 11 2.176 6.135 8.740 69 2HB LYS 11 HB3 LYS 11 2.226 7.246 7.337 70 1HG LYS 11 HG2 LYS 11 0.036 8.178 7.927 71 2HG LYS 11 HG3 LYS 11 -0.233 6.904 9.173 72 1HD LYS 11 HD2 LYS 11 1.527 7.829 10.590 73 2HD LYS 11 HD3 LYS 11 2.108 8.907 9.277 74 1HE LYS 11 HE2 LYS 11 0.779 10.183 10.989 75 2HE LYS 11 HE3 LYS 11 0.035 10.244 9.345 76 1HZ LYS 11 HZ1 LYS 11 -1.479 8.514 10.005 77 2HZ LYS 11 HZ2 LYS 11 -0.793 8.439 11.557 78 3HZ LYS 11 HZ3 LYS 11 -1.581 9.858 11.045 79 H GLU 12 HN GLU 12 1.542 6.708 4.899 80 HA GLU 12 HA GLU 12 -0.707 8.153 4.364 81 1HB GLU 12 HB2 GLU 12 1.863 8.360 3.818 82 2HB GLU 12 HB3 GLU 12 1.506 7.454 2.335 83 1HG GLU 12 HG2 GLU 12 -0.310 9.266 1.846 84 2HG GLU 12 HG3 GLU 12 0.314 10.112 3.321 85 1HN ABA 13 HN ABA 13 0.423 5.046 3.059 86 HA ABA 13 HA ABA 13 -1.540 5.083 0.880 87 1HB ABA 13 HB3 ABA 13 0.805 5.079 0.247 88 2HB ABA 13 HB2 ABA 13 -0.016 3.599 -0.272 89 1HG ABA 13 HG1 ABA 13 2.283 3.193 0.546 90 2HG ABA 13 HG2 ABA 13 1.856 3.849 2.186 91 3HG ABA 13 HG3 ABA 13 1.096 2.312 1.577 92 H TRP 14 HN TRP 14 -2.337 4.392 3.598 93 HA TRP 14 HA TRP 14 -2.985 1.577 3.545 94 1HB TRP 14 HB2 TRP 14 -3.457 3.867 5.528 95 2HB TRP 14 HB3 TRP 14 -4.220 2.253 5.760 96 HD1 TRP 14 HD1 TRP 14 -0.423 3.031 4.835 97 HE1 TRP 14 HE1 TRP 14 0.938 1.422 6.202 98 HE3 TRP 14 HE3 TRP 14 -4.172 1.178 7.776 99 HZ2 TRP 14 HZ2 TRP 14 0.546 -0.361 8.429 100 HZ3 TRP 14 HZ3 TRP 14 -3.620 -0.518 9.482 101 HH2 TRP 14 HH2 TRP 14 -1.301 -1.303 9.778 102 H SER 15 HN SER 15 -4.593 4.648 2.628 103 HA SER 15 HA SER 15 -7.189 3.412 2.344 104 1HB SER 15 HB2 SER 15 -7.906 5.740 1.703 105 2HB SER 15 HB3 SER 15 -7.161 5.633 3.329 106 HG SER 15 HG SER 15 -6.407 7.384 2.172 107 H VAL 16 HN VAL 16 -4.390 3.213 0.660 108 HA VAL 16 HA VAL 16 -5.574 3.234 -2.032 109 HB VAL 16 HB VAL 16 -2.681 2.754 -1.093 110 1HG1 VAL 16 HG12 VAL 16 -3.902 3.220 -3.905 111 2HG1 VAL 16 HG13 VAL 16 -2.142 3.169 -3.514 112 3HG1 VAL 16 HG11 VAL 16 -3.138 1.692 -3.315 113 1HG2 VAL 16 HG23 VAL 16 -4.072 5.275 -2.218 114 2HG2 VAL 16 HG21 VAL 16 -3.409 5.074 -0.551 115 3HG2 VAL 16 HG22 VAL 16 -2.298 5.087 -1.959 116 H CYS 17 HN CYS 17 -4.359 0.978 0.529 117 HA CYS 17 HA CYS 17 -4.959 -1.368 -0.911 118 1HB CYS 17 HB2 CYS 17 -4.475 -0.612 1.994 119 2HB CYS 17 HB3 CYS 17 -5.093 -2.251 1.655 120 H GLN 18 HN GLN 18 -7.119 0.951 0.677 121 HA GLN 18 HA GLN 18 -9.277 -0.875 1.093 122 1HB GLN 18 HB2 GLN 18 -8.603 1.141 2.558 123 2HB GLN 18 HB3 GLN 18 -9.232 2.189 1.265 124 1HG GLN 18 HG2 GLN 18 -11.407 0.517 1.575 125 2HG GLN 18 HG3 GLN 18 -10.638 0.256 3.165 126 1HE2 GLN 18 HE22 GLN 18 -11.886 3.387 4.425 127 2HE2 GLN 18 HE21 GLN 18 -11.215 1.826 4.751 128 H ARG 19 HN ARG 19 -8.340 1.726 -1.186 129 HA ARG 19 HA ARG 19 -10.850 1.870 -2.550 130 1HB ARG 19 HB2 ARG 19 -8.104 3.153 -2.938 131 2HB ARG 19 HB3 ARG 19 -9.439 3.477 -4.094 132 1HG ARG 19 HG2 ARG 19 -9.679 3.984 -1.075 133 2HG ARG 19 HG3 ARG 19 -9.086 5.201 -2.249 134 1HD ARG 19 HD2 ARG 19 -11.863 3.836 -2.344 135 2HD ARG 19 HD3 ARG 19 -11.531 5.478 -1.671 136 HE ARG 19 HE ARG 19 -11.515 4.627 -4.554 137 1HH1 ARG 19 HH12 ARG 19 -10.805 7.261 -2.228 138 2HH1 ARG 19 HH11 ARG 19 -10.685 8.476 -3.454 139 1HH2 ARG 19 HH22 ARG 19 -11.360 6.281 -6.171 140 2HH2 ARG 19 HH21 ARG 19 -11.003 7.911 -5.720 141 H LEU 20 HN LEU 20 -7.986 -0.060 -2.966 142 HA LEU 20 HA LEU 20 -8.472 -0.784 -5.744 143 1HB LEU 20 HB2 LEU 20 -6.286 -0.983 -3.719 144 2HB LEU 20 HB3 LEU 20 -6.396 -2.416 -4.790 145 HG LEU 20 HG LEU 20 -4.809 -0.795 -5.523 146 1HD1 LEU 20 HD13 LEU 20 -5.855 -2.353 -7.149 147 2HD1 LEU 20 HD11 LEU 20 -7.113 -1.124 -7.547 148 3HD1 LEU 20 HD12 LEU 20 -5.384 -0.800 -7.937 149 1HD2 LEU 20 HD21 LEU 20 -5.848 1.364 -4.867 150 2HD2 LEU 20 HD22 LEU 20 -5.366 1.355 -6.603 151 3HD2 LEU 20 HD23 LEU 20 -7.099 1.172 -6.152 152 H HIS 21 HN HIS 21 -7.914 -2.548 -2.651 153 HA HIS 21 HA HIS 21 -9.667 -4.721 -3.521 154 1HB HIS 21 HB2 HIS 21 -7.541 -4.549 -1.308 155 2HB HIS 21 HB3 HIS 21 -8.482 -6.026 -1.763 156 HD1 HIS 21 HD1 HIS 21 -8.020 -6.833 -4.373 157 HD2 HIS 21 HD2 HIS 21 -5.309 -4.025 -2.836 158 HE1 HIS 21 HE1 HIS 21 -5.953 -6.820 -5.873 159 H ASN 22 HN ASN 22 -9.104 -4.528 -0.191 160 HA ASN 22 HA ASN 22 -11.202 -2.981 0.755 161 1HB ASN 22 HB2 ASN 22 -12.932 -4.791 1.387 162 2HB ASN 22 HB3 ASN 22 -12.901 -4.286 -0.320 163 1HD2 ASN 22 HD22 ASN 22 -12.198 -8.221 0.655 164 2HD2 ASN 22 HD21 ASN 22 -12.327 -7.016 1.893 165 H THR 23 HN THR 23 -8.800 -2.974 1.744 166 HA THR 23 HA THR 23 -9.052 -4.400 4.234 167 HB THR 23 HB THR 23 -7.856 -5.978 2.610 168 HG1 THR 23 HG1 THR 23 -7.848 -6.192 4.812 169 1HG2 THR 23 HG21 THR 23 -6.314 -4.265 1.547 170 2HG2 THR 23 HG22 THR 23 -5.448 -4.109 3.130 171 3HG2 THR 23 HG23 THR 23 -5.460 -5.678 2.272 172 H SER 24 HN SER 24 -6.595 -3.731 5.343 173 HA SER 24 HA SER 24 -6.538 -0.807 5.202 174 1HB SER 24 HB2 SER 24 -6.552 -0.671 7.701 175 2HB SER 24 HB3 SER 24 -8.104 -1.246 7.010 176 HG SER 24 HG SER 24 -7.549 -2.473 8.751 177 H ARG 25 HN ARG 25 -5.004 -3.974 5.913 178 HA ARG 25 HA ARG 25 -2.571 -2.721 6.784 179 1HB ARG 25 HB2 ARG 25 -1.707 -4.993 7.259 180 2HB ARG 25 HB3 ARG 25 -3.111 -4.461 8.216 181 1HG ARG 25 HG2 ARG 25 -3.538 -6.215 5.749 182 2HG ARG 25 HG3 ARG 25 -3.013 -6.910 7.322 183 1HD ARG 25 HD2 ARG 25 -5.005 -6.097 8.486 184 2HD ARG 25 HD3 ARG 25 -5.483 -5.109 7.063 185 HE ARG 25 HE ARG 25 -6.056 -7.054 5.804 186 1HH1 ARG 25 HH22 ARG 25 -5.053 -7.969 9.129 187 2HH1 ARG 25 HH21 ARG 25 -5.810 -9.524 9.060 188 1HH2 ARG 25 HH12 ARG 25 -7.058 -9.143 5.753 189 2HH2 ARG 25 HH11 ARG 25 -6.968 -10.198 7.120 190 H GLY 26 HN GLY 26 -0.896 -2.435 5.605 191 1HA GLY 26 HA1 GLY 26 0.149 -3.541 3.392 192 2HA GLY 26 HA2 GLY 26 -1.231 -2.518 2.801 193 H LYS 27 HN LYS 27 1.920 -2.342 2.936 194 HA LYS 27 HA LYS 27 2.237 0.263 4.237 195 1HB LYS 27 HB2 LYS 27 4.157 -2.174 4.162 196 2HB LYS 27 HB3 LYS 27 4.479 -0.599 4.953 197 1HG LYS 27 HG2 LYS 27 2.619 -1.024 6.544 198 2HG LYS 27 HG3 LYS 27 2.273 -2.599 5.775 199 1HD LYS 27 HD2 LYS 27 5.091 -1.978 6.775 200 2HD LYS 27 HD3 LYS 27 3.808 -2.428 7.958 201 1HE LYS 27 HE2 LYS 27 4.712 -4.168 5.563 202 2HE LYS 27 HE3 LYS 27 5.189 -4.398 7.290 203 1HZ LYS 27 HZ2 LYS 27 2.878 -4.721 7.840 204 2HZ LYS 27 HZ3 LYS 27 2.420 -4.516 6.217 205 3HZ LYS 27 HZ1 LYS 27 3.393 -5.834 6.663 206 H CYS 28 HN CYS 28 5.130 -0.199 3.194 207 HA CYS 28 HA CYS 28 4.896 -0.578 0.393 208 1HB CYS 28 HB2 CYS 28 5.546 1.647 -0.401 209 2HB CYS 28 HB3 CYS 28 4.102 1.831 0.585 210 H MET 29 HN MET 29 7.223 0.094 -0.548 211 HA MET 29 HA MET 29 9.154 -1.289 1.152 212 1HB MET 29 HB2 MET 29 8.466 -2.101 -1.200 213 2HB MET 29 HB3 MET 29 9.412 -0.739 -1.842 214 1HG MET 29 HG2 MET 29 11.375 -1.725 -0.351 215 2HG MET 29 HG3 MET 29 10.287 -3.120 -0.082 216 1HE MET 29 HE1 MET 29 13.090 -3.599 -1.000 217 2HE MET 29 HE2 MET 29 11.824 -4.870 -0.899 218 3HE MET 29 HE3 MET 29 12.873 -4.762 -2.352 219 H ASN 30 HN ASN 30 10.944 0.255 -1.058 220 HA ASN 30 HA ASN 30 11.580 2.520 0.601 221 1HB ASN 30 HB2 ASN 30 13.472 2.852 -1.122 222 2HB ASN 30 HB3 ASN 30 13.491 1.430 -0.052 223 1HD2 ASN 30 HD22 ASN 30 13.587 -0.953 -2.624 224 2HD2 ASN 30 HD21 ASN 30 13.774 -0.555 -0.948 225 H LYS 31 HN LYS 31 10.043 2.022 -2.561 226 HA LYS 31 HA LYS 31 9.648 4.938 -2.830 227 1HB LYS 31 HB2 LYS 31 10.726 2.960 -4.896 228 2HB LYS 31 HB3 LYS 31 10.204 4.631 -5.295 229 1HG LYS 31 HG2 LYS 31 11.946 5.601 -3.843 230 2HG LYS 31 HG3 LYS 31 12.466 3.959 -3.357 231 1HD LYS 31 HD2 LYS 31 14.054 4.555 -4.895 232 2HD LYS 31 HD3 LYS 31 12.975 3.463 -5.827 233 1HE LYS 31 HE2 LYS 31 12.902 6.577 -5.921 234 2HE LYS 31 HE3 LYS 31 13.822 5.536 -7.077 235 1HZ LYS 31 HZ3 LYS 31 10.883 5.487 -6.676 236 2HZ LYS 31 HZ1 LYS 31 11.718 6.221 -7.958 237 3HZ LYS 31 HZ2 LYS 31 11.769 4.535 -7.765 238 H LYS 32 HN LYS 32 7.898 1.838 -2.871 239 HA LYS 32 HA LYS 32 5.816 3.138 -4.439 240 1HB LYS 32 HB2 LYS 32 5.531 1.502 -6.095 241 2HB LYS 32 HB3 LYS 32 7.206 2.079 -6.183 242 1HG LYS 32 HG2 LYS 32 7.479 -0.122 -6.548 243 2HG LYS 32 HG3 LYS 32 7.779 -0.064 -4.771 244 1HD LYS 32 HD2 LYS 32 5.878 -1.406 -4.361 245 2HD LYS 32 HD3 LYS 32 4.919 -0.542 -5.606 246 1HE LYS 32 HE2 LYS 32 5.126 -2.888 -6.258 247 2HE LYS 32 HE3 LYS 32 6.007 -1.838 -7.435 248 1HZ LYS 32 HZ3 LYS 32 8.060 -2.400 -6.301 249 2HZ LYS 32 HZ1 LYS 32 7.223 -3.403 -5.214 250 3HZ LYS 32 HZ2 LYS 32 7.251 -3.781 -6.870 251 1HN ABA 33 HN ABA 33 3.752 2.236 -4.127 252 HA ABA 33 HA ABA 33 3.344 1.390 -1.477 253 1HB ABA 33 HB3 ABA 33 1.476 1.982 -3.798 254 2HB ABA 33 HB2 ABA 33 2.049 3.106 -2.520 255 1HG ABA 33 HG1 ABA 33 -0.196 2.415 -1.954 256 2HG ABA 33 HG2 ABA 33 0.215 0.668 -1.999 257 3HG ABA 33 HG3 ABA 33 0.986 1.714 -0.770 258 H ARG 34 HN ARG 34 2.346 -0.527 -0.748 259 HA ARG 34 HA ARG 34 2.093 -2.818 -2.568 260 1HB ARG 34 HB2 ARG 34 3.774 -2.703 0.015 261 2HB ARG 34 HB3 ARG 34 3.224 -4.244 -0.738 262 1HG ARG 34 HG2 ARG 34 4.379 -3.676 -2.837 263 2HG ARG 34 HG3 ARG 34 5.081 -2.199 -2.072 264 1HD ARG 34 HD2 ARG 34 6.351 -3.534 -0.447 265 2HD ARG 34 HD3 ARG 34 5.452 -5.044 -0.931 266 HE ARG 34 HE ARG 34 6.682 -3.949 -3.284 267 1HH1 ARG 34 HH22 ARG 34 7.636 -5.521 -0.212 268 2HH1 ARG 34 HH21 ARG 34 9.004 -6.327 -0.902 269 1HH2 ARG 34 HH12 ARG 34 8.516 -5.054 -4.186 270 2HH2 ARG 34 HH11 ARG 34 9.510 -6.057 -3.183 271 H CYS 35 HN CYS 35 1.224 -4.673 -0.894 272 HA CYS 35 HA CYS 35 -0.569 -3.632 1.042 273 1HB CYS 35 HB2 CYS 35 -1.737 -3.792 -1.418 274 2HB CYS 35 HB3 CYS 35 -1.919 -5.501 -0.954 275 H TYR 36 HN TYR 36 -1.311 -5.454 2.371 276 HA TYR 36 HA TYR 36 0.462 -7.798 2.271 277 1HB TYR 36 HB2 TYR 36 0.481 -5.459 4.244 278 2HB TYR 36 HB3 TYR 36 0.948 -7.083 4.866 279 HD1 TYR 36 HD1 TYR 36 2.594 -8.339 2.931 280 HD2 TYR 36 HD2 TYR 36 2.330 -4.154 3.839 281 HE1 TYR 36 HE1 TYR 36 4.886 -8.009 2.072 282 HE2 TYR 36 HE2 TYR 36 4.627 -3.817 2.995 283 HH TYR 36 HH TYR 36 6.441 -4.770 2.070 284 H SER 37 HN SER 37 -1.876 -8.202 1.527 285 HA SER 37 HA SER 37 -2.934 -9.907 3.482 286 1HB SER 37 HB2 SER 37 -4.176 -7.833 4.269 287 2HB SER 37 HB3 SER 37 -4.781 -7.596 2.590 288 HG SER 37 HG SER 37 -5.219 -9.841 4.274 No H/Q in entry = 288 Start of MODEL 7 1 HA PCA 1 HA PGL 1 3.328 -4.914 -4.360 2 1HB PCA 1 HB2 PGL 1 3.755 -5.507 -7.155 3 2HB PCA 1 HB3 PGL 1 4.921 -4.789 -5.997 4 1HG PCA 1 HG2 PGL 1 4.766 -7.667 -6.934 5 2HG PCA 1 HG3 PGL 1 6.207 -6.689 -6.395 6 HN PCA 1 HN PGL 1 3.548 -7.060 -3.276 7 H PHE 2 HN PHE 2 1.191 -4.591 -4.165 8 HA PHE 2 HA PHE 2 -0.704 -6.083 -5.839 9 1HB PHE 2 HB2 PHE 2 -0.759 -5.424 -2.872 10 2HB PHE 2 HB3 PHE 2 -2.336 -5.357 -3.742 11 HD1 PHE 2 HD2 PHE 2 -3.079 -7.317 -5.117 12 HD2 PHE 2 HD1 PHE 2 0.059 -7.575 -2.190 13 HE1 PHE 2 HE2 PHE 2 -3.457 -9.752 -4.929 14 HE2 PHE 2 HE1 PHE 2 -0.328 -10.013 -1.997 15 HZ PHE 2 HZ PHE 2 -2.088 -11.105 -3.362 16 H THR 3 HN THR 3 0.835 -3.256 -5.178 17 HA THR 3 HA THR 3 -1.051 -1.631 -6.703 18 HB THR 3 HB THR 3 -0.334 0.315 -5.016 19 HG1 THR 3 HG1 THR 3 0.318 -0.289 -3.194 20 1HG2 THR 3 HG21 THR 3 -2.517 -1.728 -4.277 21 2HG2 THR 3 HG22 THR 3 -2.373 -0.053 -3.645 22 3HG2 THR 3 HG23 THR 3 -2.680 -0.316 -5.401 23 H ASN 4 HN ASN 4 0.161 0.279 -7.592 24 HA ASN 4 HA ASN 4 3.048 0.036 -7.682 25 1HB ASN 4 HB2 ASN 4 3.018 0.060 -10.216 26 2HB ASN 4 HB3 ASN 4 2.530 -1.487 -9.465 27 1HD2 ASN 4 HD22 ASN 4 0.197 -1.293 -12.204 28 2HD2 ASN 4 HD21 ASN 4 1.835 -1.706 -11.824 29 H VAL 5 HN VAL 5 1.875 1.824 -6.227 30 HA VAL 5 HA VAL 5 1.692 4.340 -7.741 31 HB VAL 5 HB VAL 5 1.082 4.044 -4.766 32 1HG1 VAL 5 HG11 VAL 5 -0.035 5.794 -7.079 33 2HG1 VAL 5 HG12 VAL 5 -0.574 5.852 -5.361 34 3HG1 VAL 5 HG13 VAL 5 1.087 6.366 -5.790 35 1HG2 VAL 5 HG23 VAL 5 -0.732 3.173 -7.088 36 2HG2 VAL 5 HG21 VAL 5 -0.147 2.203 -5.673 37 3HG2 VAL 5 HG22 VAL 5 -1.297 3.554 -5.420 38 H SER 6 HN SER 6 2.675 6.090 -5.825 39 HA SER 6 HA SER 6 5.429 5.186 -5.251 40 1HB SER 6 HB2 SER 6 6.056 7.664 -5.310 41 2HB SER 6 HB3 SER 6 5.717 6.843 -6.859 42 HG SER 6 HG SER 6 3.875 8.439 -5.407 43 H CYS 7 HN CYS 7 6.017 5.105 -3.255 44 HA CYS 7 HA CYS 7 4.468 6.584 -1.168 45 1HB CYS 7 HB2 CYS 7 3.379 4.559 -1.205 46 2HB CYS 7 HB3 CYS 7 4.839 3.587 -1.208 47 H THR 8 HN THR 8 5.523 7.055 0.675 48 HA THR 8 HA THR 8 8.376 6.456 0.979 49 HB THR 8 HB THR 8 8.646 8.719 2.101 50 HG1 THR 8 HG1 THR 8 6.251 9.216 0.650 51 1HG2 THR 8 HG23 THR 8 9.553 8.130 -0.159 52 2HG2 THR 8 HG21 THR 8 8.022 8.689 -0.929 53 3HG2 THR 8 HG22 THR 8 9.068 9.861 -0.047 54 H THR 9 HN THR 9 5.214 7.303 2.514 55 HA THR 9 HA THR 9 6.173 6.302 5.113 56 HB THR 9 HB THR 9 4.225 7.702 6.026 57 HG1 THR 9 HG1 THR 9 4.423 8.794 3.406 58 1HG2 THR 9 HG22 THR 9 6.635 8.357 6.177 59 2HG2 THR 9 HG23 THR 9 6.523 9.165 4.566 60 3HG2 THR 9 HG21 THR 9 5.545 9.773 5.953 61 H SER 10 HN SER 10 5.109 4.716 6.196 62 HA SER 10 HA SER 10 2.873 3.314 4.973 63 1HB SER 10 HB2 SER 10 4.739 1.968 5.821 64 2HB SER 10 HB3 SER 10 4.573 2.691 7.461 65 HG SER 10 HG SER 10 2.685 1.108 6.041 66 H LYS 11 HN LYS 11 1.340 4.885 5.095 67 HA LYS 11 HA LYS 11 -0.397 5.056 7.209 68 1HB LYS 11 HB2 LYS 11 1.277 6.547 8.329 69 2HB LYS 11 HB3 LYS 11 1.304 7.625 6.904 70 1HG LYS 11 HG2 LYS 11 -1.049 8.266 7.302 71 2HG LYS 11 HG3 LYS 11 -1.228 7.003 8.571 72 1HD LYS 11 HD2 LYS 11 0.715 9.388 8.764 73 2HD LYS 11 HD3 LYS 11 -0.973 9.392 9.390 74 1HE LYS 11 HE2 LYS 11 -0.432 7.457 10.910 75 2HE LYS 11 HE3 LYS 11 1.288 7.501 10.346 76 1HZ LYS 11 HZ2 LYS 11 -0.174 9.714 11.685 77 2HZ LYS 11 HZ3 LYS 11 0.971 8.680 12.395 78 3HZ LYS 11 HZ1 LYS 11 1.442 9.750 11.163 79 H GLU 12 HN GLU 12 1.173 6.584 4.376 80 HA GLU 12 HA GLU 12 -0.954 7.794 3.168 81 1HB GLU 12 HB2 GLU 12 1.711 7.731 2.968 82 2HB GLU 12 HB3 GLU 12 1.427 6.686 1.577 83 1HG GLU 12 HG2 GLU 12 0.224 9.516 2.027 84 2HG GLU 12 HG3 GLU 12 1.723 9.169 1.090 85 1HN ABA 13 HN ABA 13 0.058 4.412 3.009 86 HA ABA 13 HA ABA 13 -1.253 3.837 0.494 87 1HB ABA 13 HB3 ABA 13 -0.105 1.699 0.597 88 2HB ABA 13 HB2 ABA 13 0.294 1.929 2.343 89 1HG ABA 13 HG1 ABA 13 1.393 3.719 0.071 90 2HG ABA 13 HG2 ABA 13 1.794 3.775 1.833 91 3HG ABA 13 HG3 ABA 13 2.217 2.325 0.849 92 H TRP 14 HN TRP 14 -2.486 4.018 3.557 93 HA TRP 14 HA TRP 14 -3.715 1.451 3.782 94 1HB TRP 14 HB2 TRP 14 -3.860 4.005 5.506 95 2HB TRP 14 HB3 TRP 14 -4.679 2.463 5.952 96 HD1 TRP 14 HD1 TRP 14 -0.915 3.165 4.854 97 HE1 TRP 14 HE1 TRP 14 0.460 1.477 6.085 98 HE3 TRP 14 HE3 TRP 14 -4.519 1.369 8.012 99 HZ2 TRP 14 HZ2 TRP 14 0.192 -0.294 8.314 100 HZ3 TRP 14 HZ3 TRP 14 -3.900 -0.407 9.620 101 HH2 TRP 14 HH2 TRP 14 -1.585 -1.282 9.699 102 H SER 15 HN SER 15 -4.726 4.631 2.582 103 HA SER 15 HA SER 15 -7.496 3.856 2.262 104 1HB SER 15 HB2 SER 15 -7.733 6.196 1.327 105 2HB SER 15 HB3 SER 15 -7.158 6.118 3.023 106 HG SER 15 HG SER 15 -5.505 6.448 0.747 107 H VAL 16 HN VAL 16 -4.542 3.321 0.654 108 HA VAL 16 HA VAL 16 -5.621 3.433 -2.046 109 HB VAL 16 HB VAL 16 -2.795 2.775 -1.078 110 1HG1 VAL 16 HG13 VAL 16 -3.961 3.436 -3.874 111 2HG1 VAL 16 HG11 VAL 16 -2.208 3.316 -3.468 112 3HG1 VAL 16 HG12 VAL 16 -3.248 1.859 -3.360 113 1HG2 VAL 16 HG23 VAL 16 -4.059 5.412 -2.078 114 2HG2 VAL 16 HG21 VAL 16 -3.427 5.086 -0.419 115 3HG2 VAL 16 HG22 VAL 16 -2.298 5.124 -1.813 116 H CYS 17 HN CYS 17 -4.710 1.076 0.524 117 HA CYS 17 HA CYS 17 -5.149 -1.249 -1.096 118 1HB CYS 17 HB2 CYS 17 -4.759 -0.570 1.879 119 2HB CYS 17 HB3 CYS 17 -5.269 -2.223 1.450 120 H GLN 18 HN GLN 18 -7.206 1.013 0.683 121 HA GLN 18 HA GLN 18 -9.339 -0.812 1.181 122 1HB GLN 18 HB2 GLN 18 -8.454 0.964 2.745 123 2HB GLN 18 HB3 GLN 18 -9.092 2.218 1.638 124 1HG GLN 18 HG2 GLN 18 -11.421 1.234 1.991 125 2HG GLN 18 HG3 GLN 18 -10.674 -0.018 3.062 126 1HE2 GLN 18 HE22 GLN 18 -10.941 2.096 5.900 127 2HE2 GLN 18 HE21 GLN 18 -11.011 0.510 5.208 128 H ARG 19 HN ARG 19 -8.487 1.793 -1.106 129 HA ARG 19 HA ARG 19 -11.096 1.967 -2.297 130 1HB ARG 19 HB2 ARG 19 -10.384 3.790 -3.496 131 2HB ARG 19 HB3 ARG 19 -9.580 3.898 -1.910 132 1HG ARG 19 HG2 ARG 19 -7.794 4.480 -3.171 133 2HG ARG 19 HG3 ARG 19 -7.541 2.709 -3.188 134 1HD ARG 19 HD2 ARG 19 -7.237 3.574 -5.479 135 2HD ARG 19 HD3 ARG 19 -8.810 2.651 -5.427 136 HE ARG 19 HE ARG 19 -9.169 5.504 -4.823 137 1HH1 ARG 19 HH12 ARG 19 -8.758 3.199 -7.525 138 2HH1 ARG 19 HH11 ARG 19 -9.603 4.188 -8.669 139 1HH2 ARG 19 HH22 ARG 19 -10.301 6.814 -6.381 140 2HH2 ARG 19 HH21 ARG 19 -10.488 6.263 -8.012 141 H LEU 20 HN LEU 20 -8.185 0.072 -2.872 142 HA LEU 20 HA LEU 20 -8.902 -0.654 -5.568 143 1HB LEU 20 HB2 LEU 20 -6.583 -0.084 -5.070 144 2HB LEU 20 HB3 LEU 20 -6.517 -1.320 -3.781 145 HG LEU 20 HG LEU 20 -6.787 -3.115 -5.409 146 1HD1 LEU 20 HD13 LEU 20 -6.780 -0.934 -7.612 147 2HD1 LEU 20 HD11 LEU 20 -6.644 -2.709 -7.899 148 3HD1 LEU 20 HD12 LEU 20 -8.159 -2.027 -7.213 149 1HD2 LEU 20 HD21 LEU 20 -4.524 -2.363 -4.853 150 2HD2 LEU 20 HD22 LEU 20 -4.598 -2.954 -6.554 151 3HD2 LEU 20 HD23 LEU 20 -4.548 -1.181 -6.222 152 H HIS 21 HN HIS 21 -8.457 -2.248 -2.309 153 HA HIS 21 HA HIS 21 -9.974 -4.581 -3.271 154 1HB HIS 21 HB2 HIS 21 -7.656 -4.401 -1.259 155 2HB HIS 21 HB3 HIS 21 -8.605 -5.890 -1.625 156 HD1 HIS 21 HD1 HIS 21 -8.248 -6.814 -4.183 157 HD2 HIS 21 HD2 HIS 21 -5.517 -3.897 -2.898 158 HE1 HIS 21 HE1 HIS 21 -6.199 -6.912 -5.707 159 H ASN 22 HN ASN 22 -9.136 -4.575 -0.036 160 HA ASN 22 HA ASN 22 -11.106 -3.060 1.212 161 1HB ASN 22 HB2 ASN 22 -12.662 -4.983 1.998 162 2HB ASN 22 HB3 ASN 22 -12.917 -4.345 0.359 163 1HD2 ASN 22 HD22 ASN 22 -12.515 -7.421 -1.297 164 2HD2 ASN 22 HD21 ASN 22 -12.971 -5.751 -1.351 165 H THR 23 HN THR 23 -8.671 -2.954 1.818 166 HA THR 23 HA THR 23 -8.260 -4.507 4.218 167 HB THR 23 HB THR 23 -7.108 -6.083 3.084 168 HG1 THR 23 HG1 THR 23 -4.928 -5.701 3.114 169 1HG2 THR 23 HG21 THR 23 -6.202 -4.056 0.963 170 2HG2 THR 23 HG22 THR 23 -5.669 -5.778 1.094 171 3HG2 THR 23 HG23 THR 23 -7.400 -5.401 0.786 172 H SER 24 HN SER 24 -6.540 -3.543 5.502 173 HA SER 24 HA SER 24 -6.160 -0.669 5.026 174 1HB SER 24 HB2 SER 24 -6.214 -0.402 7.546 175 2HB SER 24 HB3 SER 24 -7.787 -0.853 6.814 176 HG SER 24 HG SER 24 -7.310 -2.027 8.673 177 H ARG 25 HN ARG 25 -4.829 -3.853 5.465 178 HA ARG 25 HA ARG 25 -2.390 -2.966 6.717 179 1HB ARG 25 HB2 ARG 25 -1.782 -5.404 6.784 180 2HB ARG 25 HB3 ARG 25 -3.141 -4.869 7.803 181 1HG ARG 25 HG2 ARG 25 -3.692 -6.105 5.062 182 2HG ARG 25 HG3 ARG 25 -3.319 -7.126 6.482 183 1HD ARG 25 HD2 ARG 25 -5.230 -6.475 7.707 184 2HD ARG 25 HD3 ARG 25 -5.507 -4.997 6.697 185 HE ARG 25 HE ARG 25 -5.837 -6.804 4.748 186 1HH1 ARG 25 HH12 ARG 25 -7.170 -6.814 8.070 187 2HH1 ARG 25 HH11 ARG 25 -8.643 -7.604 7.610 188 1HH2 ARG 25 HH22 ARG 25 -7.772 -7.941 4.180 189 2HH2 ARG 25 HH21 ARG 25 -8.988 -8.252 5.374 190 H GLY 26 HN GLY 26 -0.879 -2.192 5.460 191 1HA GLY 26 HA1 GLY 26 0.186 -3.225 3.126 192 2HA GLY 26 HA2 GLY 26 -1.167 -2.091 2.699 193 H LYS 27 HN LYS 27 2.045 -2.120 2.865 194 HA LYS 27 HA LYS 27 2.435 0.447 4.219 195 1HB LYS 27 HB2 LYS 27 4.396 -1.952 4.204 196 2HB LYS 27 HB3 LYS 27 4.538 -0.407 5.118 197 1HG LYS 27 HG2 LYS 27 2.442 -1.124 6.416 198 2HG LYS 27 HG3 LYS 27 2.530 -2.702 5.559 199 1HD LYS 27 HD2 LYS 27 4.842 -3.056 6.475 200 2HD LYS 27 HD3 LYS 27 4.697 -1.506 7.385 201 1HE LYS 27 HE2 LYS 27 2.697 -2.445 8.629 202 2HE LYS 27 HE3 LYS 27 2.885 -4.002 7.725 203 1HZ LYS 27 HZ1 LYS 27 5.094 -4.204 8.667 204 2HZ LYS 27 HZ2 LYS 27 4.885 -2.759 9.539 205 3HZ LYS 27 HZ3 LYS 27 3.899 -4.103 9.872 206 H CYS 28 HN CYS 28 5.325 0.146 3.302 207 HA CYS 28 HA CYS 28 5.222 -0.366 0.495 208 1HB CYS 28 HB2 CYS 28 5.999 1.943 -0.248 209 2HB CYS 28 HB3 CYS 28 4.321 1.838 0.308 210 H MET 29 HN MET 29 7.464 0.234 -0.480 211 HA MET 29 HA MET 29 9.440 -0.926 1.304 212 1HB MET 29 HB2 MET 29 8.605 -1.986 -0.884 213 2HB MET 29 HB3 MET 29 9.573 -0.762 -1.739 214 1HG MET 29 HG2 MET 29 11.607 -1.595 -0.412 215 2HG MET 29 HG3 MET 29 10.540 -2.799 0.380 216 1HE MET 29 HE3 MET 29 9.730 -4.926 -0.526 217 2HE MET 29 HE1 MET 29 8.674 -4.063 -1.695 218 3HE MET 29 HE2 MET 29 9.699 -5.427 -2.249 219 H ASN 30 HN ASN 30 11.047 0.385 -1.228 220 HA ASN 30 HA ASN 30 11.962 2.668 0.256 221 1HB ASN 30 HB2 ASN 30 13.685 2.917 -1.533 222 2HB ASN 30 HB3 ASN 30 13.680 1.360 -0.656 223 1HD2 ASN 30 HD22 ASN 30 14.391 0.464 -4.130 224 2HD2 ASN 30 HD21 ASN 30 15.132 1.333 -2.827 225 H LYS 31 HN LYS 31 10.163 2.148 -2.751 226 HA LYS 31 HA LYS 31 9.700 5.056 -3.013 227 1HB LYS 31 HB2 LYS 31 10.724 3.106 -5.148 228 2HB LYS 31 HB3 LYS 31 10.173 4.778 -5.489 229 1HG LYS 31 HG2 LYS 31 11.933 5.705 -4.019 230 2HG LYS 31 HG3 LYS 31 12.591 4.050 -3.760 231 1HD LYS 31 HD2 LYS 31 12.926 3.766 -6.189 232 2HD LYS 31 HD3 LYS 31 12.230 5.409 -6.487 233 1HE LYS 31 HE2 LYS 31 14.125 6.399 -5.058 234 2HE LYS 31 HE3 LYS 31 14.876 4.752 -5.012 235 1HZ LYS 31 HZ2 LYS 31 14.939 4.805 -7.431 236 2HZ LYS 31 HZ3 LYS 31 14.263 6.360 -7.436 237 3HZ LYS 31 HZ1 LYS 31 15.797 6.106 -6.749 238 H LYS 32 HN LYS 32 8.009 1.962 -2.914 239 HA LYS 32 HA LYS 32 5.906 3.117 -4.590 240 1HB LYS 32 HB2 LYS 32 5.641 1.330 -6.007 241 2HB LYS 32 HB3 LYS 32 7.354 1.826 -6.142 242 1HG LYS 32 HG2 LYS 32 7.972 -0.058 -4.519 243 2HG LYS 32 HG3 LYS 32 6.276 -0.654 -4.662 244 1HD LYS 32 HD2 LYS 32 6.559 -0.730 -7.158 245 2HD LYS 32 HD3 LYS 32 8.298 -0.344 -6.940 246 1HE LYS 32 HE2 LYS 32 6.817 -2.841 -5.815 247 2HE LYS 32 HE3 LYS 32 7.979 -2.826 -7.207 248 1HZ LYS 32 HZ1 LYS 32 9.694 -2.093 -5.689 249 2HZ LYS 32 HZ2 LYS 32 8.603 -2.112 -4.388 250 3HZ LYS 32 HZ3 LYS 32 9.002 -3.558 -5.180 251 1HN ABA 33 HN ABA 33 3.854 2.167 -4.251 252 HA ABA 33 HA ABA 33 3.316 1.479 -1.569 253 1HB ABA 33 HB3 ABA 33 1.622 1.697 -4.123 254 2HB ABA 33 HB2 ABA 33 2.057 3.045 -3.006 255 1HG ABA 33 HG1 ABA 33 0.408 0.710 -1.927 256 2HG ABA 33 HG2 ABA 33 0.701 2.371 -1.315 257 3HG ABA 33 HG3 ABA 33 -0.303 2.138 -2.780 258 H ARG 34 HN ARG 34 2.624 -0.463 -0.712 259 HA ARG 34 HA ARG 34 2.265 -2.819 -2.448 260 1HB ARG 34 HB2 ARG 34 3.953 -2.560 0.108 261 2HB ARG 34 HB3 ARG 34 3.169 -4.108 -0.319 262 1HG ARG 34 HG2 ARG 34 4.298 -3.794 -2.681 263 2HG ARG 34 HG3 ARG 34 5.378 -2.647 -1.824 264 1HD ARG 34 HD2 ARG 34 6.360 -4.953 -1.946 265 2HD ARG 34 HD3 ARG 34 6.017 -4.510 -0.213 266 HE ARG 34 HE ARG 34 3.665 -5.756 -1.113 267 1HH1 ARG 34 HH12 ARG 34 7.084 -6.786 -0.894 268 2HH1 ARG 34 HH11 ARG 34 6.689 -8.448 -0.604 269 1HH2 ARG 34 HH22 ARG 34 3.168 -7.963 -0.723 270 2HH2 ARG 34 HH21 ARG 34 4.430 -9.129 -0.503 271 H CYS 35 HN CYS 35 1.023 -4.519 -1.222 272 HA CYS 35 HA CYS 35 -0.569 -3.547 0.969 273 1HB CYS 35 HB2 CYS 35 -1.848 -3.489 -1.417 274 2HB CYS 35 HB3 CYS 35 -2.046 -5.232 -1.097 275 H TYR 36 HN TYR 36 -1.282 -5.383 2.235 276 HA TYR 36 HA TYR 36 0.623 -7.632 2.085 277 1HB TYR 36 HB2 TYR 36 0.475 -5.245 3.954 278 2HB TYR 36 HB3 TYR 36 0.943 -6.815 4.721 279 HD1 TYR 36 HD2 TYR 36 2.677 -8.186 3.103 280 HD2 TYR 36 HD1 TYR 36 2.283 -3.935 3.409 281 HE1 TYR 36 HE2 TYR 36 5.077 -7.919 2.508 282 HE2 TYR 36 HE1 TYR 36 4.643 -3.641 2.760 283 HH TYR 36 HH TYR 36 6.594 -4.671 2.253 284 H SER 37 HN SER 37 -1.825 -8.064 1.364 285 HA SER 37 HA SER 37 -2.420 -10.072 3.300 286 1HB SER 37 HB2 SER 37 -4.920 -9.723 3.312 287 2HB SER 37 HB3 SER 37 -4.021 -8.466 4.230 288 HG SER 37 HG SER 37 -4.944 -8.236 1.563 No H/Q in entry = 288 Start of MODEL 8 1 HA PCA 1 HA PGL 1 -3.560 -6.645 -2.986 2 1HB PCA 1 HB2 PGL 1 -2.125 -8.435 -1.265 3 2HB PCA 1 HB3 PGL 1 -3.898 -8.303 -1.452 4 1HG PCA 1 HG2 PGL 1 -2.048 -10.360 -2.708 5 2HG PCA 1 HG3 PGL 1 -3.776 -10.528 -2.151 6 HN PCA 1 HN PGL 1 -3.543 -7.719 -5.154 7 H PHE 2 HN PHE 2 -2.070 -6.051 -5.197 8 HA PHE 2 HA PHE 2 0.360 -5.037 -4.018 9 1HB PHE 2 HB2 PHE 2 0.236 -6.776 -6.591 10 2HB PHE 2 HB3 PHE 2 1.545 -5.571 -6.307 11 HD1 PHE 2 HD1 PHE 2 2.857 -5.719 -4.092 12 HD2 PHE 2 HD2 PHE 2 0.482 -8.944 -5.654 13 HE1 PHE 2 HE1 PHE 2 4.090 -7.319 -2.665 14 HE2 PHE 2 HE2 PHE 2 1.712 -10.543 -4.224 15 HZ PHE 2 HZ PHE 2 3.516 -9.733 -2.724 16 H THR 3 HN THR 3 0.611 -2.959 -4.658 17 HA THR 3 HA THR 3 -1.144 -1.896 -6.761 18 HB THR 3 HB THR 3 -1.818 -0.165 -5.602 19 HG1 THR 3 HG1 THR 3 0.255 0.084 -3.783 20 1HG2 THR 3 HG21 THR 3 -2.290 -2.166 -4.040 21 2HG2 THR 3 HG22 THR 3 -0.803 -1.742 -3.126 22 3HG2 THR 3 HG23 THR 3 -2.183 -0.600 -3.179 23 H ASN 4 HN ASN 4 -0.061 0.190 -7.764 24 HA ASN 4 HA ASN 4 2.846 0.114 -7.792 25 1HB ASN 4 HB2 ASN 4 2.830 0.258 -10.349 26 2HB ASN 4 HB3 ASN 4 2.449 -1.353 -9.686 27 1HD2 ASN 4 HD22 ASN 4 -0.845 -1.563 -11.020 28 2HD2 ASN 4 HD21 ASN 4 0.281 -2.208 -9.871 29 H VAL 5 HN VAL 5 1.176 1.683 -6.374 30 HA VAL 5 HA VAL 5 1.188 4.345 -7.599 31 HB VAL 5 HB VAL 5 0.108 3.059 -5.039 32 1HG1 VAL 5 HG13 VAL 5 0.217 6.078 -5.661 33 2HG1 VAL 5 HG11 VAL 5 -0.874 5.313 -4.446 34 3HG1 VAL 5 HG12 VAL 5 0.901 5.200 -4.227 35 1HG2 VAL 5 HG22 VAL 5 -1.227 4.483 -7.425 36 2HG2 VAL 5 HG23 VAL 5 -1.241 2.712 -7.076 37 3HG2 VAL 5 HG21 VAL 5 -2.076 3.850 -5.968 38 H SER 6 HN SER 6 2.444 6.059 -6.208 39 HA SER 6 HA SER 6 5.018 4.952 -5.349 40 1HB SER 6 HB2 SER 6 5.816 7.355 -5.470 41 2HB SER 6 HB3 SER 6 5.327 6.588 -7.010 42 HG SER 6 HG SER 6 3.694 8.298 -5.448 43 H CYS 7 HN CYS 7 5.875 5.232 -3.324 44 HA CYS 7 HA CYS 7 4.125 6.489 -1.242 45 1HB CYS 7 HB2 CYS 7 3.419 4.306 -1.204 46 2HB CYS 7 HB3 CYS 7 5.031 3.613 -1.185 47 H THR 8 HN THR 8 5.162 7.199 0.552 48 HA THR 8 HA THR 8 8.101 7.215 0.661 49 HB THR 8 HB THR 8 7.918 9.505 1.765 50 HG1 THR 8 HG1 THR 8 5.393 9.404 0.463 51 1HG2 THR 8 HG22 THR 8 8.805 9.094 -0.544 52 2HG2 THR 8 HG23 THR 8 7.142 9.263 -1.218 53 3HG2 THR 8 HG21 THR 8 7.938 10.666 -0.414 54 H THR 9 HN THR 9 5.020 7.661 2.517 55 HA THR 9 HA THR 9 6.342 6.694 4.970 56 HB THR 9 HB THR 9 4.454 7.914 6.152 57 HG1 THR 9 HG1 THR 9 3.096 8.112 4.316 58 1HG2 THR 9 HG21 THR 9 6.781 8.808 5.925 59 2HG2 THR 9 HG22 THR 9 6.322 9.612 4.374 60 3HG2 THR 9 HG23 THR 9 5.533 10.109 5.918 61 H SER 10 HN SER 10 5.388 5.078 6.212 62 HA SER 10 HA SER 10 3.285 3.480 4.979 63 1HB SER 10 HB2 SER 10 3.834 1.784 6.747 64 2HB SER 10 HB3 SER 10 5.166 2.193 5.620 65 HG SER 10 HG SER 10 4.846 3.266 8.216 66 H LYS 11 HN LYS 11 1.706 5.008 5.199 67 HA LYS 11 HA LYS 11 -0.087 4.937 7.293 68 1HB LYS 11 HB2 LYS 11 1.739 7.383 7.321 69 2HB LYS 11 HB3 LYS 11 -0.007 7.641 7.630 70 1HG LYS 11 HG2 LYS 11 0.134 7.015 9.733 71 2HG LYS 11 HG3 LYS 11 0.766 5.408 9.265 72 1HD LYS 11 HD2 LYS 11 3.100 6.416 9.153 73 2HD LYS 11 HD3 LYS 11 2.421 7.948 9.806 74 1HE LYS 11 HE2 LYS 11 1.669 6.736 11.882 75 2HE LYS 11 HE3 LYS 11 2.289 5.177 11.198 76 1HZ LYS 11 HZ3 LYS 11 4.492 6.126 11.174 77 2HZ LYS 11 HZ1 LYS 11 3.914 7.584 11.829 78 3HZ LYS 11 HZ2 LYS 11 3.822 6.150 12.735 79 H GLU 12 HN GLU 12 1.340 6.593 4.446 80 HA GLU 12 HA GLU 12 -0.858 7.645 3.257 81 1HB GLU 12 HB2 GLU 12 1.792 7.631 2.968 82 2HB GLU 12 HB3 GLU 12 1.506 6.498 1.656 83 1HG GLU 12 HG2 GLU 12 0.191 9.300 1.925 84 2HG GLU 12 HG3 GLU 12 1.723 8.980 1.040 85 1HN ABA 13 HN ABA 13 0.126 4.290 3.333 86 HA ABA 13 HA ABA 13 -1.043 3.543 0.800 87 1HB ABA 13 HB3 ABA 13 0.112 1.439 1.086 88 2HB ABA 13 HB2 ABA 13 0.401 1.765 2.840 89 1HG ABA 13 HG1 ABA 13 2.400 2.119 1.396 90 2HG ABA 13 HG2 ABA 13 1.573 3.468 0.541 91 3HG ABA 13 HG3 ABA 13 1.934 3.606 2.303 92 H TRP 14 HN TRP 14 -2.435 3.929 3.727 93 HA TRP 14 HA TRP 14 -4.147 1.632 3.952 94 1HB TRP 14 HB2 TRP 14 -3.748 4.321 5.338 95 2HB TRP 14 HB3 TRP 14 -5.281 3.415 5.624 96 HD1 TRP 14 HD1 TRP 14 -5.377 1.656 7.285 97 HE1 TRP 14 HE1 TRP 14 -3.749 0.102 8.443 98 HE3 TRP 14 HE3 TRP 14 -1.015 3.204 5.149 99 HZ2 TRP 14 HZ2 TRP 14 -0.938 -0.139 8.860 100 HZ3 TRP 14 HZ3 TRP 14 1.079 2.115 5.818 101 HH2 TRP 14 HH2 TRP 14 1.144 0.508 7.683 102 H SER 15 HN SER 15 -4.326 4.877 2.369 103 HA SER 15 HA SER 15 -7.099 4.506 1.638 104 1HB SER 15 HB2 SER 15 -6.862 6.812 0.654 105 2HB SER 15 HB3 SER 15 -6.519 6.712 2.410 106 HG SER 15 HG SER 15 -4.561 6.712 0.366 107 H VAL 16 HN VAL 16 -4.227 3.216 0.549 108 HA VAL 16 HA VAL 16 -5.023 3.244 -2.274 109 HB VAL 16 HB VAL 16 -2.398 2.244 -1.120 110 1HG1 VAL 16 HG11 VAL 16 -3.379 3.017 -3.964 111 2HG1 VAL 16 HG12 VAL 16 -1.688 2.586 -3.527 112 3HG1 VAL 16 HG13 VAL 16 -2.982 1.350 -3.412 113 1HG2 VAL 16 HG21 VAL 16 -3.197 5.013 -2.237 114 2HG2 VAL 16 HG22 VAL 16 -2.609 4.650 -0.570 115 3HG2 VAL 16 HG23 VAL 16 -1.506 4.455 -1.970 116 H CYS 17 HN CYS 17 -4.717 1.048 0.636 117 HA CYS 17 HA CYS 17 -5.230 -1.301 -0.987 118 1HB CYS 17 HB2 CYS 17 -4.760 -0.774 1.990 119 2HB CYS 17 HB3 CYS 17 -5.252 -2.387 1.404 120 H GLN 18 HN GLN 18 -7.216 1.049 0.754 121 HA GLN 18 HA GLN 18 -9.499 -0.743 0.970 122 1HB GLN 18 HB2 GLN 18 -9.228 2.248 1.576 123 2HB GLN 18 HB3 GLN 18 -10.708 1.241 1.863 124 1HG GLN 18 HG2 GLN 18 -9.527 -0.163 3.479 125 2HG GLN 18 HG3 GLN 18 -7.980 0.691 3.125 126 1HE2 GLN 18 HE22 GLN 18 -10.948 2.981 5.017 127 2HE2 GLN 18 HE21 GLN 18 -11.369 1.928 3.706 128 H ARG 19 HN ARG 19 -8.230 1.766 -1.139 129 HA ARG 19 HA ARG 19 -10.612 2.163 -2.700 130 1HB ARG 19 HB2 ARG 19 -7.796 3.228 -2.663 131 2HB ARG 19 HB3 ARG 19 -8.688 3.418 -4.194 132 1HG ARG 19 HG2 ARG 19 -10.341 4.213 -1.850 133 2HG ARG 19 HG3 ARG 19 -8.824 5.148 -2.019 134 1HD ARG 19 HD2 ARG 19 -10.712 6.245 -3.217 135 2HD ARG 19 HD3 ARG 19 -9.361 5.799 -4.325 136 HE ARG 19 HE ARG 19 -11.981 4.244 -3.999 137 1HH1 ARG 19 HH22 ARG 19 -9.271 5.269 -6.107 138 2HH1 ARG 19 HH21 ARG 19 -9.949 4.541 -7.526 139 1HH2 ARG 19 HH12 ARG 19 -12.850 3.296 -5.911 140 2HH2 ARG 19 HH11 ARG 19 -11.995 3.410 -7.414 141 H LEU 20 HN LEU 20 -7.740 0.046 -2.918 142 HA LEU 20 HA LEU 20 -8.314 -0.720 -5.641 143 1HB LEU 20 HB2 LEU 20 -5.997 -0.290 -4.959 144 2HB LEU 20 HB3 LEU 20 -6.116 -1.530 -3.675 145 HG LEU 20 HG LEU 20 -6.453 -3.280 -5.373 146 1HD1 LEU 20 HD12 LEU 20 -5.996 -1.065 -7.487 147 2HD1 LEU 20 HD13 LEU 20 -6.023 -2.837 -7.823 148 3HD1 LEU 20 HD11 LEU 20 -7.513 -2.012 -7.252 149 1HD2 LEU 20 HD22 LEU 20 -4.203 -2.838 -4.562 150 2HD2 LEU 20 HD23 LEU 20 -4.140 -3.327 -6.295 151 3HD2 LEU 20 HD21 LEU 20 -3.934 -1.591 -5.843 152 H HIS 21 HN HIS 21 -8.271 -2.206 -2.297 153 HA HIS 21 HA HIS 21 -9.922 -4.425 -3.306 154 1HB HIS 21 HB2 HIS 21 -7.642 -4.448 -1.233 155 2HB HIS 21 HB3 HIS 21 -8.761 -5.827 -1.560 156 HD1 HIS 21 HD1 HIS 21 -8.638 -6.745 -4.155 157 HD2 HIS 21 HD2 HIS 21 -5.423 -4.343 -2.918 158 HE1 HIS 21 HE1 HIS 21 -6.693 -7.125 -5.766 159 H ASN 22 HN ASN 22 -9.226 -4.452 -0.032 160 HA ASN 22 HA ASN 22 -11.015 -2.650 1.071 161 1HB ASN 22 HB2 ASN 22 -12.884 -4.305 1.816 162 2HB ASN 22 HB3 ASN 22 -12.953 -3.674 0.160 163 1HD2 ASN 22 HD22 ASN 22 -13.025 -6.821 -1.391 164 2HD2 ASN 22 HD21 ASN 22 -13.257 -5.107 -1.478 165 H THR 23 HN THR 23 -8.592 -2.940 1.859 166 HA THR 23 HA THR 23 -8.799 -4.343 4.373 167 HB THR 23 HB THR 23 -7.827 -6.030 2.716 168 HG1 THR 23 HG1 THR 23 -6.338 -6.719 4.199 169 1HG2 THR 23 HG21 THR 23 -6.254 -4.403 1.517 170 2HG2 THR 23 HG22 THR 23 -5.254 -4.351 3.031 171 3HG2 THR 23 HG23 THR 23 -5.460 -5.891 2.146 172 H SER 24 HN SER 24 -6.603 -3.817 5.581 173 HA SER 24 HA SER 24 -5.891 -1.006 5.082 174 1HB SER 24 HB2 SER 24 -6.222 -0.409 7.469 175 2HB SER 24 HB3 SER 24 -7.753 -0.846 6.642 176 HG SER 24 HG SER 24 -6.270 -2.323 8.528 177 H ARG 25 HN ARG 25 -4.869 -4.163 5.360 178 HA ARG 25 HA ARG 25 -2.361 -3.510 6.755 179 1HB ARG 25 HB2 ARG 25 -3.443 -6.195 5.742 180 2HB ARG 25 HB3 ARG 25 -1.809 -5.921 6.434 181 1HG ARG 25 HG2 ARG 25 -3.029 -6.835 8.187 182 2HG ARG 25 HG3 ARG 25 -2.830 -5.099 8.571 183 1HD ARG 25 HD2 ARG 25 -5.115 -5.963 9.191 184 2HD ARG 25 HD3 ARG 25 -5.223 -4.672 7.952 185 HE ARG 25 HE ARG 25 -5.743 -6.268 6.241 186 1HH1 ARG 25 HH22 ARG 25 -5.302 -7.887 9.401 187 2HH1 ARG 25 HH21 ARG 25 -5.999 -9.384 8.876 188 1HH2 ARG 25 HH12 ARG 25 -6.694 -8.269 5.575 189 2HH2 ARG 25 HH11 ARG 25 -6.800 -9.604 6.676 190 H GLY 26 HN GLY 26 -0.948 -2.506 5.535 191 1HA GLY 26 HA1 GLY 26 0.048 -3.351 3.102 192 2HA GLY 26 HA2 GLY 26 -1.244 -2.100 2.819 193 H LYS 27 HN LYS 27 1.918 -2.407 2.907 194 HA LYS 27 HA LYS 27 2.582 0.182 4.063 195 1HB LYS 27 HB2 LYS 27 3.013 -1.237 5.967 196 2HB LYS 27 HB3 LYS 27 3.570 -2.595 4.948 197 1HG LYS 27 HG2 LYS 27 5.690 -1.502 4.483 198 2HG LYS 27 HG3 LYS 27 5.165 0.007 5.304 199 1HD LYS 27 HD2 LYS 27 5.120 -1.163 7.485 200 2HD LYS 27 HD3 LYS 27 5.407 -2.741 6.677 201 1HE LYS 27 HE2 LYS 27 7.500 -1.910 7.731 202 2HE LYS 27 HE3 LYS 27 7.675 -2.007 5.934 203 1HZ LYS 27 HZ3 LYS 27 7.265 0.360 5.824 204 2HZ LYS 27 HZ1 LYS 27 7.118 0.449 7.513 205 3HZ LYS 27 HZ2 LYS 27 8.597 -0.004 6.813 206 H CYS 28 HN CYS 28 4.669 0.819 3.149 207 HA CYS 28 HA CYS 28 5.173 -0.417 0.509 208 1HB CYS 28 HB2 CYS 28 5.926 1.852 -0.244 209 2HB CYS 28 HB3 CYS 28 4.243 1.805 0.327 210 H MET 29 HN MET 29 7.403 0.095 -0.330 211 HA MET 29 HA MET 29 9.402 -0.752 1.599 212 1HB MET 29 HB2 MET 29 8.755 -1.956 -0.615 213 2HB MET 29 HB3 MET 29 9.700 -0.699 -1.442 214 1HG MET 29 HG2 MET 29 11.648 -1.382 0.183 215 2HG MET 29 HG3 MET 29 10.574 -2.713 0.730 216 1HE MET 29 HE3 MET 29 13.497 -3.020 -0.272 217 2HE MET 29 HE1 MET 29 12.446 -4.379 0.259 218 3HE MET 29 HE2 MET 29 13.371 -4.506 -1.277 219 H ASN 30 HN ASN 30 11.061 0.548 -0.905 220 HA ASN 30 HA ASN 30 11.702 2.978 0.474 221 1HB ASN 30 HB2 ASN 30 13.529 3.236 -1.198 222 2HB ASN 30 HB3 ASN 30 13.563 1.712 -0.269 223 1HD2 ASN 30 HD22 ASN 30 14.497 0.894 -3.766 224 2HD2 ASN 30 HD21 ASN 30 15.104 1.892 -2.485 225 H LYS 31 HN LYS 31 9.990 2.144 -2.494 226 HA LYS 31 HA LYS 31 9.711 5.014 -3.196 227 1HB LYS 31 HB2 LYS 31 10.397 2.619 -4.970 228 2HB LYS 31 HB3 LYS 31 9.947 4.233 -5.619 229 1HG LYS 31 HG2 LYS 31 11.840 5.312 -4.583 230 2HG LYS 31 HG3 LYS 31 12.338 3.793 -3.760 231 1HD LYS 31 HD2 LYS 31 12.653 2.675 -5.971 232 2HD LYS 31 HD3 LYS 31 12.280 4.230 -6.804 233 1HE LYS 31 HE2 LYS 31 14.276 5.304 -5.722 234 2HE LYS 31 HE3 LYS 31 14.611 3.780 -4.805 235 1HZ LYS 31 HZ2 LYS 31 14.930 2.652 -6.898 236 2HZ LYS 31 HZ3 LYS 31 14.628 4.081 -7.762 237 3HZ LYS 31 HZ1 LYS 31 15.982 3.974 -6.744 238 H LYS 32 HN LYS 32 7.897 1.878 -2.941 239 HA LYS 32 HA LYS 32 5.719 3.138 -4.439 240 1HB LYS 32 HB2 LYS 32 5.407 1.392 -5.949 241 2HB LYS 32 HB3 LYS 32 7.072 2.020 -6.134 242 1HG LYS 32 HG2 LYS 32 7.823 0.105 -4.526 243 2HG LYS 32 HG3 LYS 32 6.204 -0.631 -4.866 244 1HD LYS 32 HD2 LYS 32 6.720 -0.611 -7.294 245 2HD LYS 32 HD3 LYS 32 8.303 0.177 -6.948 246 1HE LYS 32 HE2 LYS 32 8.972 -1.846 -5.542 247 2HE LYS 32 HE3 LYS 32 7.421 -2.652 -6.013 248 1HZ LYS 32 HZ3 LYS 32 8.133 -2.511 -8.316 249 2HZ LYS 32 HZ1 LYS 32 9.594 -1.781 -7.846 250 3HZ LYS 32 HZ2 LYS 32 9.246 -3.369 -7.362 251 1HN ABA 33 HN ABA 33 3.730 2.292 -4.048 252 HA ABA 33 HA ABA 33 3.279 1.318 -1.432 253 1HB ABA 33 HB3 ABA 33 1.442 2.127 -3.735 254 2HB ABA 33 HB2 ABA 33 2.108 3.203 -2.480 255 1HG ABA 33 HG1 ABA 33 -0.043 2.715 -1.654 256 2HG ABA 33 HG2 ABA 33 0.079 0.942 -2.027 257 3HG ABA 33 HG3 ABA 33 1.115 1.664 -0.740 258 H ARG 34 HN ARG 34 2.632 -0.645 -0.794 259 HA ARG 34 HA ARG 34 2.042 -2.767 -2.736 260 1HB ARG 34 HB2 ARG 34 4.094 -2.743 -0.457 261 2HB ARG 34 HB3 ARG 34 3.420 -4.276 -1.119 262 1HG ARG 34 HG2 ARG 34 4.331 -3.819 -3.330 263 2HG ARG 34 HG3 ARG 34 4.809 -2.157 -2.860 264 1HD ARG 34 HD2 ARG 34 6.791 -3.565 -2.932 265 2HD ARG 34 HD3 ARG 34 6.465 -3.027 -1.224 266 HE ARG 34 HE ARG 34 5.170 -5.555 -1.580 267 1HH1 ARG 34 HH22 ARG 34 8.480 -4.236 -1.599 268 2HH1 ARG 34 HH21 ARG 34 9.221 -5.687 -1.017 269 1HH2 ARG 34 HH12 ARG 34 6.181 -7.514 -0.789 270 2HH2 ARG 34 HH11 ARG 34 7.896 -7.571 -0.552 271 H CYS 35 HN CYS 35 1.247 -4.705 -1.116 272 HA CYS 35 HA CYS 35 -0.393 -3.678 0.986 273 1HB CYS 35 HB2 CYS 35 -1.661 -3.476 -1.365 274 2HB CYS 35 HB3 CYS 35 -1.905 -5.224 -1.168 275 H TYR 36 HN TYR 36 -1.179 -5.460 2.253 276 HA TYR 36 HA TYR 36 0.547 -7.850 2.088 277 1HB TYR 36 HB2 TYR 36 0.525 -5.483 4.024 278 2HB TYR 36 HB3 TYR 36 1.013 -7.089 4.692 279 HD1 TYR 36 HD2 TYR 36 2.692 -8.322 2.696 280 HD2 TYR 36 HD1 TYR 36 2.383 -4.184 3.811 281 HE1 TYR 36 HE2 TYR 36 5.036 -7.957 2.014 282 HE2 TYR 36 HE1 TYR 36 4.721 -3.817 3.142 283 HH TYR 36 HH TYR 36 6.605 -4.736 2.354 284 H SER 37 HN SER 37 -1.819 -8.387 1.425 285 HA SER 37 HA SER 37 -3.397 -9.046 3.827 286 1HB SER 37 HB2 SER 37 -4.550 -7.767 1.966 287 2HB SER 37 HB3 SER 37 -4.230 -9.156 0.870 288 HG SER 37 HG SER 37 -5.655 -9.208 3.335 No H/Q in entry = 288 Start of MODEL 9 1 HA PCA 1 HA PGL 1 -3.803 -7.310 -6.293 2 1HB PCA 1 HB2 PGL 1 -2.620 -8.838 -3.895 3 2HB PCA 1 HB3 PGL 1 -4.334 -8.382 -4.204 4 1HG PCA 1 HG2 PGL 1 -3.225 -10.937 -4.686 5 2HG PCA 1 HG3 PGL 1 -4.612 -10.276 -5.662 6 HN PCA 1 HN PGL 1 -1.809 -8.314 -7.533 7 H PHE 2 HN PHE 2 -1.517 -6.313 -7.371 8 HA PHE 2 HA PHE 2 0.033 -5.031 -5.214 9 1HB PHE 2 HB2 PHE 2 0.916 -5.872 -8.057 10 2HB PHE 2 HB3 PHE 2 1.940 -5.016 -6.836 11 HD1 PHE 2 HD1 PHE 2 2.032 -6.189 -4.461 12 HD2 PHE 2 HD2 PHE 2 1.025 -8.217 -8.109 13 HE1 PHE 2 HE1 PHE 2 2.662 -8.346 -3.430 14 HE2 PHE 2 HE2 PHE 2 1.644 -10.378 -7.076 15 HZ PHE 2 HZ PHE 2 2.466 -10.447 -4.736 16 H THR 3 HN THR 3 0.551 -2.895 -5.465 17 HA THR 3 HA THR 3 -1.024 -1.295 -7.377 18 HB THR 3 HB THR 3 -0.722 0.529 -5.580 19 HG1 THR 3 HG1 THR 3 -0.110 -0.086 -3.649 20 1HG2 THR 3 HG21 THR 3 -2.410 -1.979 -4.916 21 2HG2 THR 3 HG22 THR 3 -2.630 -0.342 -4.200 22 3HG2 THR 3 HG23 THR 3 -2.904 -0.600 -5.968 23 H ASN 4 HN ASN 4 0.069 0.566 -8.257 24 HA ASN 4 HA ASN 4 3.003 0.597 -8.101 25 1HB ASN 4 HB2 ASN 4 3.088 1.076 -10.575 26 2HB ASN 4 HB3 ASN 4 2.633 -0.596 -10.151 27 1HD2 ASN 4 HD22 ASN 4 -0.631 -0.516 -11.574 28 2HD2 ASN 4 HD21 ASN 4 0.439 -1.330 -10.481 29 H VAL 5 HN VAL 5 1.514 1.961 -6.433 30 HA VAL 5 HA VAL 5 1.379 4.766 -7.306 31 HB VAL 5 HB VAL 5 0.263 3.136 -4.961 32 1HG1 VAL 5 HG11 VAL 5 0.282 6.211 -5.282 33 2HG1 VAL 5 HG12 VAL 5 -0.794 5.288 -4.165 34 3HG1 VAL 5 HG13 VAL 5 0.985 5.232 -3.925 35 1HG2 VAL 5 HG21 VAL 5 -1.013 4.755 -7.261 36 2HG2 VAL 5 HG22 VAL 5 -1.010 2.963 -7.051 37 3HG2 VAL 5 HG23 VAL 5 -1.911 4.004 -5.894 38 H SER 6 HN SER 6 2.662 6.290 -5.872 39 HA SER 6 HA SER 6 5.167 5.061 -5.001 40 1HB SER 6 HB2 SER 6 6.053 7.431 -5.017 41 2HB SER 6 HB3 SER 6 5.562 6.722 -6.582 42 HG SER 6 HG SER 6 4.830 8.819 -6.350 43 H CYS 7 HN CYS 7 5.939 5.080 -2.983 44 HA CYS 7 HA CYS 7 4.455 6.516 -0.836 45 1HB CYS 7 HB2 CYS 7 3.268 4.582 -0.834 46 2HB CYS 7 HB3 CYS 7 4.658 3.532 -1.007 47 H THR 8 HN THR 8 5.642 6.943 0.939 48 HA THR 8 HA THR 8 8.452 6.142 1.139 49 HB THR 8 HB THR 8 9.023 8.470 2.026 50 HG1 THR 8 HG1 THR 8 6.859 9.225 2.097 51 1HG2 THR 8 HG23 THR 8 9.810 7.527 -0.167 52 2HG2 THR 8 HG21 THR 8 8.355 8.215 -0.981 53 3HG2 THR 8 HG22 THR 8 9.564 9.311 -0.218 54 H THR 9 HN THR 9 5.562 7.671 2.659 55 HA THR 9 HA THR 9 6.306 6.646 5.298 56 HB THR 9 HB THR 9 4.293 8.141 5.998 57 HG1 THR 9 HG1 THR 9 3.983 9.845 4.550 58 1HG2 THR 9 HG23 THR 9 6.680 8.617 6.451 59 2HG2 THR 9 HG21 THR 9 6.870 9.367 4.817 60 3HG2 THR 9 HG22 THR 9 5.770 10.117 6.039 61 H SER 10 HN SER 10 5.323 4.955 6.186 62 HA SER 10 HA SER 10 3.320 3.480 4.716 63 1HB SER 10 HB2 SER 10 3.876 1.670 6.434 64 2HB SER 10 HB3 SER 10 5.226 2.213 5.387 65 HG SER 10 HG SER 10 4.733 3.134 8.013 66 H LYS 11 HN LYS 11 1.682 5.092 5.065 67 HA LYS 11 HA LYS 11 -0.246 4.524 6.920 68 1HB LYS 11 HB2 LYS 11 1.683 6.483 8.019 69 2HB LYS 11 HB3 LYS 11 0.057 7.210 7.889 70 1HG LYS 11 HG2 LYS 11 -0.958 5.355 9.163 71 2HG LYS 11 HG3 LYS 11 0.623 4.515 9.228 72 1HD LYS 11 HD2 LYS 11 0.330 5.460 11.346 73 2HD LYS 11 HD3 LYS 11 1.570 6.481 10.554 74 1HE LYS 11 HE2 LYS 11 -1.446 7.220 10.738 75 2HE LYS 11 HE3 LYS 11 -0.213 7.700 11.971 76 1HZ LYS 11 HZ2 LYS 11 0.989 8.862 10.254 77 2HZ LYS 11 HZ3 LYS 11 -0.189 8.452 9.102 78 3HZ LYS 11 HZ1 LYS 11 -0.599 9.441 10.421 79 H GLU 12 HN GLU 12 1.346 6.862 4.707 80 HA GLU 12 HA GLU 12 -0.725 8.358 3.872 81 1HB GLU 12 HB2 GLU 12 1.899 8.293 3.551 82 2HB GLU 12 HB3 GLU 12 1.578 7.480 2.024 83 1HG GLU 12 HG2 GLU 12 0.420 10.219 2.907 84 2HG GLU 12 HG3 GLU 12 1.923 10.008 1.942 85 1HN ABA 13 HN ABA 13 0.269 5.143 2.651 86 HA ABA 13 HA ABA 13 -1.583 5.232 0.377 87 1HB ABA 13 HB3 ABA 13 0.793 4.991 -0.124 88 2HB ABA 13 HB2 ABA 13 -0.105 3.534 -0.584 89 1HG ABA 13 HG1 ABA 13 1.626 3.916 1.952 90 2HG ABA 13 HG2 ABA 13 0.776 2.369 1.520 91 3HG ABA 13 HG3 ABA 13 2.075 3.030 0.454 92 H TRP 14 HN TRP 14 -2.361 4.602 3.249 93 HA TRP 14 HA TRP 14 -3.150 1.823 3.197 94 1HB TRP 14 HB2 TRP 14 -3.435 4.087 5.249 95 2HB TRP 14 HB3 TRP 14 -4.204 2.479 5.487 96 HD1 TRP 14 HD1 TRP 14 -0.480 2.914 4.196 97 HE1 TRP 14 HE1 TRP 14 0.875 1.300 5.571 98 HE3 TRP 14 HE3 TRP 14 -4.024 1.740 7.694 99 HZ2 TRP 14 HZ2 TRP 14 0.536 -0.293 7.929 100 HZ3 TRP 14 HZ3 TRP 14 -3.465 0.080 9.438 101 HH2 TRP 14 HH2 TRP 14 -1.222 -0.963 9.509 102 H SER 15 HN SER 15 -4.546 4.862 2.130 103 HA SER 15 HA SER 15 -7.267 3.895 2.079 104 1HB SER 15 HB2 SER 15 -7.732 6.188 1.101 105 2HB SER 15 HB3 SER 15 -7.046 6.172 2.759 106 HG SER 15 HG SER 15 -5.592 6.584 0.365 107 H VAL 16 HN VAL 16 -4.478 3.320 0.342 108 HA VAL 16 HA VAL 16 -5.715 3.258 -2.325 109 HB VAL 16 HB VAL 16 -2.829 2.643 -1.484 110 1HG1 VAL 16 HG12 VAL 16 -4.135 3.147 -4.251 111 2HG1 VAL 16 HG13 VAL 16 -2.370 2.962 -3.928 112 3HG1 VAL 16 HG11 VAL 16 -3.472 1.573 -3.671 113 1HG2 VAL 16 HG23 VAL 16 -3.433 5.032 -0.981 114 2HG2 VAL 16 HG21 VAL 16 -2.318 4.906 -2.382 115 3HG2 VAL 16 HG22 VAL 16 -4.073 5.217 -2.659 116 H CYS 17 HN CYS 17 -4.279 1.045 0.179 117 HA CYS 17 HA CYS 17 -5.048 -1.320 -1.204 118 1HB CYS 17 HB2 CYS 17 -3.815 -0.595 1.446 119 2HB CYS 17 HB3 CYS 17 -4.574 -2.201 1.367 120 H GLN 18 HN GLN 18 -7.033 0.914 0.502 121 HA GLN 18 HA GLN 18 -8.985 -0.981 1.407 122 1HB GLN 18 HB2 GLN 18 -8.153 1.195 2.515 123 2HB GLN 18 HB3 GLN 18 -9.100 2.106 1.321 124 1HG GLN 18 HG2 GLN 18 -10.152 -0.090 3.211 125 2HG GLN 18 HG3 GLN 18 -10.125 1.669 3.627 126 1HE2 GLN 18 HE22 GLN 18 -12.776 2.567 1.264 127 2HE2 GLN 18 HE21 GLN 18 -11.228 3.118 1.817 128 H ARG 19 HN ARG 19 -8.727 1.722 -0.883 129 HA ARG 19 HA ARG 19 -11.248 1.413 -2.127 130 1HB ARG 19 HB2 ARG 19 -8.791 3.128 -2.695 131 2HB ARG 19 HB3 ARG 19 -10.285 3.281 -3.675 132 1HG ARG 19 HG2 ARG 19 -10.817 3.405 -0.733 133 2HG ARG 19 HG3 ARG 19 -9.701 4.669 -1.334 134 1HD ARG 19 HD2 ARG 19 -12.049 5.516 -1.428 135 2HD ARG 19 HD3 ARG 19 -11.297 5.380 -3.060 136 HE ARG 19 HE ARG 19 -12.747 3.620 -3.639 137 1HH1 ARG 19 HH12 ARG 19 -13.208 4.370 -0.167 138 2HH1 ARG 19 HH11 ARG 19 -14.636 3.401 -0.022 139 1HH2 ARG 19 HH22 ARG 19 -14.671 2.327 -3.401 140 2HH2 ARG 19 HH21 ARG 19 -15.469 2.235 -1.866 141 H LEU 20 HN LEU 20 -8.193 -0.122 -2.816 142 HA LEU 20 HA LEU 20 -8.839 -0.815 -5.581 143 1HB LEU 20 HB2 LEU 20 -6.458 -1.027 -3.741 144 2HB LEU 20 HB3 LEU 20 -6.582 -2.300 -4.984 145 HG LEU 20 HG LEU 20 -5.147 -0.403 -5.514 146 1HD1 LEU 20 HD13 LEU 20 -5.966 -2.003 -7.214 147 2HD1 LEU 20 HD11 LEU 20 -7.416 -0.973 -7.527 148 3HD1 LEU 20 HD12 LEU 20 -5.768 -0.359 -7.929 149 1HD2 LEU 20 HD22 LEU 20 -6.524 1.550 -4.763 150 2HD2 LEU 20 HD23 LEU 20 -6.020 1.696 -6.482 151 3HD2 LEU 20 HD21 LEU 20 -7.710 1.226 -6.081 152 H HIS 21 HN HIS 21 -7.901 -2.543 -2.559 153 HA HIS 21 HA HIS 21 -9.390 -4.914 -3.389 154 1HB HIS 21 HB2 HIS 21 -7.244 -4.508 -1.226 155 2HB HIS 21 HB3 HIS 21 -7.972 -6.084 -1.732 156 HD1 HIS 21 HD1 HIS 21 -7.439 -6.703 -4.385 157 HD2 HIS 21 HD2 HIS 21 -5.173 -3.564 -2.770 158 HE1 HIS 21 HE1 HIS 21 -5.464 -6.266 -5.942 159 H ASN 22 HN ASN 22 -8.724 -4.668 -0.086 160 HA ASN 22 HA ASN 22 -10.858 -3.416 1.055 161 1HB ASN 22 HB2 ASN 22 -12.444 -5.318 1.701 162 2HB ASN 22 HB3 ASN 22 -12.572 -4.708 0.038 163 1HD2 ASN 22 HD22 ASN 22 -12.971 -8.238 -0.530 164 2HD2 ASN 22 HD21 ASN 22 -13.826 -6.821 -0.022 165 H THR 23 HN THR 23 -8.563 -3.220 1.972 166 HA THR 23 HA THR 23 -8.537 -4.765 4.401 167 HB THR 23 HB THR 23 -7.094 -6.065 2.751 168 HG1 THR 23 HG1 THR 23 -6.862 -6.131 5.008 169 1HG2 THR 23 HG22 THR 23 -6.020 -4.102 1.564 170 2HG2 THR 23 HG23 THR 23 -5.138 -3.699 3.097 171 3HG2 THR 23 HG21 THR 23 -4.813 -5.242 2.249 172 H SER 24 HN SER 24 -6.390 -3.642 5.594 173 HA SER 24 HA SER 24 -6.591 -0.734 5.156 174 1HB SER 24 HB2 SER 24 -6.636 -0.232 7.562 175 2HB SER 24 HB3 SER 24 -8.118 -1.071 6.997 176 HG SER 24 HG SER 24 -5.989 -2.102 8.532 177 H ARG 25 HN ARG 25 -4.751 -3.621 6.120 178 HA ARG 25 HA ARG 25 -2.354 -2.081 6.638 179 1HB ARG 25 HB2 ARG 25 -1.377 -4.443 7.113 180 2HB ARG 25 HB3 ARG 25 -2.447 -3.652 8.292 181 1HG ARG 25 HG2 ARG 25 -3.623 -5.626 6.270 182 2HG ARG 25 HG3 ARG 25 -2.747 -6.174 7.730 183 1HD ARG 25 HD2 ARG 25 -4.508 -5.866 9.066 184 2HD ARG 25 HD3 ARG 25 -4.563 -4.099 8.615 185 HE ARG 25 HE ARG 25 -5.790 -5.156 6.441 186 1HH1 ARG 25 HH22 ARG 25 -6.353 -5.851 9.909 187 2HH1 ARG 25 HH21 ARG 25 -8.036 -6.203 9.697 188 1HH2 ARG 25 HH12 ARG 25 -8.040 -5.638 6.186 189 2HH2 ARG 25 HH11 ARG 25 -9.009 -6.080 7.552 190 H GLY 26 HN GLY 26 -0.920 -1.751 5.197 191 1HA GLY 26 HA1 GLY 26 -0.093 -3.167 3.006 192 2HA GLY 26 HA2 GLY 26 -1.528 -2.174 2.488 193 H LYS 27 HN LYS 27 1.823 -2.193 3.145 194 HA LYS 27 HA LYS 27 2.056 0.653 3.807 195 1HB LYS 27 HB2 LYS 27 3.992 -1.698 4.315 196 2HB LYS 27 HB3 LYS 27 4.218 0.005 4.852 197 1HG LYS 27 HG2 LYS 27 2.189 -0.213 6.296 198 2HG LYS 27 HG3 LYS 27 2.019 -1.933 5.768 199 1HD LYS 27 HD2 LYS 27 4.235 -2.483 6.730 200 2HD LYS 27 HD3 LYS 27 4.498 -0.761 7.173 201 1HE LYS 27 HE2 LYS 27 3.818 -2.115 9.163 202 2HE LYS 27 HE3 LYS 27 2.589 -0.843 8.786 203 1HZ LYS 27 HZ3 LYS 27 2.427 -3.715 8.032 204 2HZ LYS 27 HZ1 LYS 27 1.586 -2.948 9.294 205 3HZ LYS 27 HZ2 LYS 27 1.274 -2.519 7.681 206 H CYS 28 HN CYS 28 5.071 -0.013 3.166 207 HA CYS 28 HA CYS 28 5.059 -0.459 0.344 208 1HB CYS 28 HB2 CYS 28 6.075 1.820 -0.255 209 2HB CYS 28 HB3 CYS 28 4.379 1.816 0.240 210 H MET 29 HN MET 29 7.328 -0.017 -0.553 211 HA MET 29 HA MET 29 9.258 -1.296 1.194 212 1HB MET 29 HB2 MET 29 8.398 -2.228 -1.061 213 2HB MET 29 HB3 MET 29 9.427 -1.007 -1.841 214 1HG MET 29 HG2 MET 29 11.409 -2.007 -0.526 215 2HG MET 29 HG3 MET 29 10.271 -3.195 0.181 216 1HE MET 29 HE3 MET 29 11.578 -5.185 -0.409 217 2HE MET 29 HE1 MET 29 12.317 -5.543 -2.006 218 3HE MET 29 HE2 MET 29 12.874 -4.121 -1.057 219 H ASN 30 HN ASN 30 10.907 0.054 -1.282 220 HA ASN 30 HA ASN 30 11.905 2.266 0.251 221 1HB ASN 30 HB2 ASN 30 13.602 2.469 -1.632 222 2HB ASN 30 HB3 ASN 30 13.582 0.963 -0.676 223 1HD2 ASN 30 HD22 ASN 30 12.927 0.802 -4.729 224 2HD2 ASN 30 HD21 ASN 30 13.171 2.304 -3.900 225 H LYS 31 HN LYS 31 10.049 1.905 -2.741 226 HA LYS 31 HA LYS 31 9.685 4.851 -2.892 227 1HB LYS 31 HB2 LYS 31 10.556 2.934 -5.100 228 2HB LYS 31 HB3 LYS 31 9.975 4.591 -5.429 229 1HG LYS 31 HG2 LYS 31 11.800 5.615 -4.182 230 2HG LYS 31 HG3 LYS 31 12.429 4.004 -3.703 231 1HD LYS 31 HD2 LYS 31 13.799 4.751 -5.499 232 2HD LYS 31 HD3 LYS 31 12.762 3.409 -6.105 233 1HE LYS 31 HE2 LYS 31 11.260 5.108 -7.239 234 2HE LYS 31 HE3 LYS 31 12.300 6.444 -6.590 235 1HZ LYS 31 HZ1 LYS 31 13.196 4.261 -8.396 236 2HZ LYS 31 HZ2 LYS 31 12.808 5.850 -8.859 237 3HZ LYS 31 HZ3 LYS 31 14.135 5.562 -7.835 238 H LYS 32 HN LYS 32 7.946 1.740 -2.968 239 HA LYS 32 HA LYS 32 5.731 3.114 -4.293 240 1HB LYS 32 HB2 LYS 32 5.327 1.571 -5.927 241 2HB LYS 32 HB3 LYS 32 7.048 2.016 -6.101 242 1HG LYS 32 HG2 LYS 32 7.691 -0.081 -4.834 243 2HG LYS 32 HG3 LYS 32 5.944 -0.573 -4.859 244 1HD LYS 32 HD2 LYS 32 5.927 -0.456 -7.326 245 2HD LYS 32 HD3 LYS 32 7.675 -0.023 -7.319 246 1HE LYS 32 HE2 LYS 32 7.393 -2.466 -7.824 247 2HE LYS 32 HE3 LYS 32 8.224 -2.246 -6.230 248 1HZ LYS 32 HZ3 LYS 32 6.095 -2.592 -5.153 249 2HZ LYS 32 HZ1 LYS 32 5.339 -2.829 -6.658 250 3HZ LYS 32 HZ2 LYS 32 6.537 -3.914 -6.126 251 1HN ABA 33 HN ABA 33 3.708 2.203 -3.900 252 HA ABA 33 HA ABA 33 3.239 1.143 -1.379 253 1HB ABA 33 HB3 ABA 33 1.405 1.574 -3.795 254 2HB ABA 33 HB2 ABA 33 1.869 2.802 -2.579 255 1HG ABA 33 HG1 ABA 33 -0.331 1.993 -1.990 256 2HG ABA 33 HG2 ABA 33 0.213 0.274 -1.962 257 3HG ABA 33 HG3 ABA 33 0.880 1.437 -0.765 258 H ARG 34 HN ARG 34 2.491 -0.927 -0.760 259 HA ARG 34 HA ARG 34 1.957 -2.934 -2.782 260 1HB ARG 34 HB2 ARG 34 4.473 -3.001 -1.918 261 2HB ARG 34 HB3 ARG 34 3.778 -3.795 -0.475 262 1HG ARG 34 HG2 ARG 34 2.863 -5.613 -1.932 263 2HG ARG 34 HG3 ARG 34 3.203 -4.619 -3.389 264 1HD ARG 34 HD2 ARG 34 4.860 -6.317 -3.378 265 2HD ARG 34 HD3 ARG 34 5.706 -4.797 -2.886 266 HE ARG 34 HE ARG 34 5.469 -5.567 -0.473 267 1HH1 ARG 34 HH12 ARG 34 5.454 -8.036 -3.074 268 2HH1 ARG 34 HH11 ARG 34 6.055 -9.293 -2.044 269 1HH2 ARG 34 HH22 ARG 34 6.273 -7.278 0.862 270 2HH2 ARG 34 HH21 ARG 34 6.522 -8.861 0.201 271 H CYS 35 HN CYS 35 1.399 -5.025 -0.873 272 HA CYS 35 HA CYS 35 -0.586 -3.860 0.870 273 1HB CYS 35 HB2 CYS 35 -1.352 -4.370 -1.760 274 2HB CYS 35 HB3 CYS 35 -1.744 -5.929 -1.022 275 H TYR 36 HN TYR 36 -1.286 -5.312 2.354 276 HA TYR 36 HA TYR 36 0.391 -7.692 2.804 277 1HB TYR 36 HB2 TYR 36 0.357 -4.994 4.280 278 2HB TYR 36 HB3 TYR 36 0.882 -6.476 5.177 279 HD1 TYR 36 HD1 TYR 36 2.553 -7.939 3.294 280 HD2 TYR 36 HD2 TYR 36 2.177 -3.709 3.911 281 HE1 TYR 36 HE1 TYR 36 4.833 -7.612 2.427 282 HE2 TYR 36 HE2 TYR 36 4.442 -3.359 3.014 283 HH TYR 36 HH TYR 36 6.453 -6.122 1.883 284 H SER 37 HN SER 37 -2.003 -8.180 2.143 285 HA SER 37 HA SER 37 -3.874 -7.962 4.369 286 1HB SER 37 HB2 SER 37 -4.635 -7.514 2.006 287 2HB SER 37 HB3 SER 37 -4.246 -9.219 1.587 288 HG SER 37 HG SER 37 -6.416 -8.893 2.127 No H/Q in entry = 288 Start of MODEL 10 1 HA PCA 1 HA PGL 1 -3.044 -6.603 -3.583 2 1HB PCA 1 HB2 PGL 1 -1.059 -8.938 -3.816 3 2HB PCA 1 HB3 PGL 1 -2.029 -8.415 -2.386 4 1HG PCA 1 HG2 PGL 1 -2.698 -10.562 -4.094 5 2HG PCA 1 HG3 PGL 1 -3.954 -9.586 -3.204 6 HN PCA 1 HN PGL 1 -3.376 -7.022 -6.089 7 H PHE 2 HN PHE 2 -2.065 -6.011 -6.466 8 HA PHE 2 HA PHE 2 0.688 -5.116 -5.913 9 1HB PHE 2 HB2 PHE 2 -0.546 -6.093 -8.579 10 2HB PHE 2 HB3 PHE 2 1.156 -5.537 -8.315 11 HD1 PHE 2 HD2 PHE 2 2.451 -6.809 -6.369 12 HD2 PHE 2 HD1 PHE 2 -1.006 -8.370 -8.398 13 HE1 PHE 2 HE2 PHE 2 3.039 -9.092 -5.623 14 HE2 PHE 2 HE1 PHE 2 -0.408 -10.651 -7.658 15 HZ PHE 2 HZ PHE 2 1.602 -11.015 -6.251 16 H THR 3 HN THR 3 0.856 -2.998 -5.862 17 HA THR 3 HA THR 3 -0.972 -1.252 -7.373 18 HB THR 3 HB THR 3 -0.584 0.356 -5.329 19 HG1 THR 3 HG1 THR 3 0.241 -0.494 -3.649 20 1HG2 THR 3 HG21 THR 3 -2.414 -2.123 -5.078 21 2HG2 THR 3 HG22 THR 3 -2.576 -0.575 -4.171 22 3HG2 THR 3 HG23 THR 3 -2.789 -0.594 -5.960 23 H ASN 4 HN ASN 4 0.020 0.654 -8.161 24 HA ASN 4 HA ASN 4 2.950 0.793 -8.057 25 1HB ASN 4 HB2 ASN 4 2.946 1.331 -10.542 26 2HB ASN 4 HB3 ASN 4 2.594 -0.365 -10.118 27 1HD2 ASN 4 HD22 ASN 4 -0.180 1.811 -12.228 28 2HD2 ASN 4 HD21 ASN 4 1.334 2.491 -11.732 29 H VAL 5 HN VAL 5 1.492 2.091 -6.324 30 HA VAL 5 HA VAL 5 1.324 4.909 -7.160 31 HB VAL 5 HB VAL 5 0.261 3.232 -4.830 32 1HG1 VAL 5 HG11 VAL 5 0.419 6.316 -4.940 33 2HG1 VAL 5 HG12 VAL 5 -0.684 5.380 -3.865 34 3HG1 VAL 5 HG13 VAL 5 1.088 5.206 -3.670 35 1HG2 VAL 5 HG23 VAL 5 -1.019 5.079 -6.952 36 2HG2 VAL 5 HG21 VAL 5 -1.086 3.274 -6.907 37 3HG2 VAL 5 HG22 VAL 5 -1.913 4.243 -5.632 38 H SER 6 HN SER 6 2.620 6.422 -5.725 39 HA SER 6 HA SER 6 5.150 5.197 -4.922 40 1HB SER 6 HB2 SER 6 6.021 7.575 -4.876 41 2HB SER 6 HB3 SER 6 5.522 6.916 -6.460 42 HG SER 6 HG SER 6 3.537 8.003 -6.208 43 H CYS 7 HN CYS 7 5.910 5.140 -2.911 44 HA CYS 7 HA CYS 7 4.398 6.455 -0.707 45 1HB CYS 7 HB2 CYS 7 3.239 4.498 -0.864 46 2HB CYS 7 HB3 CYS 7 4.654 3.468 -1.022 47 H THR 8 HN THR 8 5.538 6.791 1.106 48 HA THR 8 HA THR 8 8.347 6.000 1.338 49 HB THR 8 HB THR 8 8.855 8.256 2.424 50 HG1 THR 8 HG1 THR 8 6.665 8.955 2.509 51 1HG2 THR 8 HG21 THR 8 9.704 7.541 0.167 52 2HG2 THR 8 HG22 THR 8 8.232 8.244 -0.602 53 3HG2 THR 8 HG23 THR 8 9.393 9.314 0.266 54 H THR 9 HN THR 9 5.373 7.319 2.896 55 HA THR 9 HA THR 9 6.106 6.096 5.462 56 HB THR 9 HB THR 9 4.183 7.566 6.320 57 HG1 THR 9 HG1 THR 9 4.621 8.755 3.770 58 1HG2 THR 9 HG23 THR 9 6.605 8.041 6.642 59 2HG2 THR 9 HG21 THR 9 6.662 8.909 5.061 60 3HG2 THR 9 HG22 THR 9 5.639 9.544 6.408 61 H SER 10 HN SER 10 4.988 4.404 6.287 62 HA SER 10 HA SER 10 2.881 3.148 4.754 63 1HB SER 10 HB2 SER 10 3.154 1.266 6.424 64 2HB SER 10 HB3 SER 10 4.610 1.678 5.461 65 HG SER 10 HG SER 10 4.092 2.564 8.097 66 H LYS 11 HN LYS 11 1.385 4.863 5.002 67 HA LYS 11 HA LYS 11 -0.562 4.545 6.974 68 1HB LYS 11 HB2 LYS 11 0.923 5.863 8.443 69 2HB LYS 11 HB3 LYS 11 1.199 7.090 7.173 70 1HG LYS 11 HG2 LYS 11 -1.666 6.569 8.043 71 2HG LYS 11 HG3 LYS 11 -0.584 7.334 9.249 72 1HD LYS 11 HD2 LYS 11 -0.372 9.324 8.102 73 2HD LYS 11 HD3 LYS 11 -0.520 8.559 6.491 74 1HE LYS 11 HE2 LYS 11 -2.482 10.017 6.951 75 2HE LYS 11 HE3 LYS 11 -2.965 8.285 6.740 76 1HZ LYS 11 HZ1 LYS 11 -2.617 9.697 9.335 77 2HZ LYS 11 HZ2 LYS 11 -4.087 9.332 8.566 78 3HZ LYS 11 HZ3 LYS 11 -3.086 8.078 9.121 79 H GLU 12 HN GLU 12 1.100 6.696 4.609 80 HA GLU 12 HA GLU 12 -0.869 8.170 3.621 81 1HB GLU 12 HB2 GLU 12 1.689 8.133 3.475 82 2HB GLU 12 HB3 GLU 12 1.572 7.110 2.041 83 1HG GLU 12 HG2 GLU 12 0.210 9.875 2.364 84 2HG GLU 12 HG3 GLU 12 1.901 9.669 1.777 85 1HN ABA 13 HN ABA 13 0.123 4.974 2.426 86 HA ABA 13 HA ABA 13 -1.656 5.071 0.085 87 1HB ABA 13 HB3 ABA 13 0.740 4.875 -0.306 88 2HB ABA 13 HB2 ABA 13 -0.134 3.422 -0.838 89 1HG ABA 13 HG1 ABA 13 0.644 2.249 1.322 90 2HG ABA 13 HG2 ABA 13 1.993 2.867 0.293 91 3HG ABA 13 HG3 ABA 13 1.513 3.773 1.770 92 H TRP 14 HN TRP 14 -2.529 4.394 2.938 93 HA TRP 14 HA TRP 14 -3.277 1.606 2.786 94 1HB TRP 14 HB2 TRP 14 -3.814 3.765 4.887 95 2HB TRP 14 HB3 TRP 14 -4.420 2.077 5.008 96 HD1 TRP 14 HD1 TRP 14 -0.813 2.237 3.629 97 HE1 TRP 14 HE1 TRP 14 0.658 1.178 5.333 98 HE3 TRP 14 HE3 TRP 14 -4.118 2.160 7.540 99 HZ2 TRP 14 HZ2 TRP 14 0.523 0.361 8.070 100 HZ3 TRP 14 HZ3 TRP 14 -3.378 1.156 9.680 101 HH2 TRP 14 HH2 TRP 14 -1.104 0.200 9.902 102 H SER 15 HN SER 15 -4.757 4.770 1.957 103 HA SER 15 HA SER 15 -7.400 3.679 1.613 104 1HB SER 15 HB2 SER 15 -7.988 6.054 0.988 105 2HB SER 15 HB3 SER 15 -7.334 5.836 2.643 106 HG SER 15 HG SER 15 -5.317 6.497 1.877 107 H VAL 16 HN VAL 16 -4.644 3.236 0.001 108 HA VAL 16 HA VAL 16 -5.753 3.316 -2.724 109 HB VAL 16 HB VAL 16 -2.986 2.471 -1.716 110 1HG1 VAL 16 HG11 VAL 16 -4.076 2.985 -4.570 111 2HG1 VAL 16 HG12 VAL 16 -2.360 2.634 -4.129 112 3HG1 VAL 16 HG13 VAL 16 -3.610 1.374 -3.901 113 1HG2 VAL 16 HG23 VAL 16 -3.423 4.910 -1.317 114 2HG2 VAL 16 HG21 VAL 16 -2.247 4.663 -2.648 115 3HG2 VAL 16 HG22 VAL 16 -3.956 5.095 -3.030 116 H CYS 17 HN CYS 17 -4.639 0.994 -0.141 117 HA CYS 17 HA CYS 17 -5.690 -1.241 -1.641 118 1HB CYS 17 HB2 CYS 17 -4.490 -1.027 1.151 119 2HB CYS 17 HB3 CYS 17 -5.172 -2.544 0.490 120 H GLN 18 HN GLN 18 -7.450 1.121 0.038 121 HA GLN 18 HA GLN 18 -9.510 -0.720 1.002 122 1HB GLN 18 HB2 GLN 18 -9.354 2.332 0.941 123 2HB GLN 18 HB3 GLN 18 -10.795 1.395 1.518 124 1HG GLN 18 HG2 GLN 18 -9.589 0.359 3.294 125 2HG GLN 18 HG3 GLN 18 -8.018 1.021 2.710 126 1HE2 GLN 18 HE22 GLN 18 -8.439 3.712 5.008 127 2HE2 GLN 18 HE21 GLN 18 -7.447 2.428 4.400 128 H ARG 19 HN ARG 19 -8.957 1.723 -1.551 129 HA ARG 19 HA ARG 19 -11.539 1.443 -2.752 130 1HB ARG 19 HB2 ARG 19 -9.199 3.108 -3.653 131 2HB ARG 19 HB3 ARG 19 -10.883 3.117 -4.302 132 1HG ARG 19 HG2 ARG 19 -11.448 3.401 -1.620 133 2HG ARG 19 HG3 ARG 19 -9.814 4.126 -1.672 134 1HD ARG 19 HD2 ARG 19 -11.304 5.955 -2.068 135 2HD ARG 19 HD3 ARG 19 -10.691 5.482 -3.731 136 HE ARG 19 HE ARG 19 -13.166 4.078 -2.964 137 1HH1 ARG 19 HH12 ARG 19 -11.941 7.164 -4.299 138 2HH1 ARG 19 HH11 ARG 19 -13.454 7.603 -5.019 139 1HH2 ARG 19 HH22 ARG 19 -15.177 4.684 -3.932 140 2HH2 ARG 19 HH21 ARG 19 -15.322 6.172 -4.806 141 H LEU 20 HN LEU 20 -8.447 -0.113 -3.166 142 HA LEU 20 HA LEU 20 -8.986 -1.226 -5.808 143 1HB LEU 20 HB2 LEU 20 -6.645 -1.044 -3.915 144 2HB LEU 20 HB3 LEU 20 -6.692 -2.511 -4.935 145 HG LEU 20 HG LEU 20 -5.303 -0.731 -5.787 146 1HD1 LEU 20 HD13 LEU 20 -6.169 -2.540 -7.244 147 2HD1 LEU 20 HD11 LEU 20 -7.615 -1.546 -7.665 148 3HD1 LEU 20 HD12 LEU 20 -5.972 -1.007 -8.174 149 1HD2 LEU 20 HD23 LEU 20 -6.650 1.319 -5.271 150 2HD2 LEU 20 HD21 LEU 20 -6.197 1.230 -7.008 151 3HD2 LEU 20 HD22 LEU 20 -7.875 0.829 -6.499 152 H HIS 21 HN HIS 21 -7.980 -2.562 -2.588 153 HA HIS 21 HA HIS 21 -9.521 -4.997 -3.096 154 1HB HIS 21 HB2 HIS 21 -7.195 -4.425 -1.165 155 2HB HIS 21 HB3 HIS 21 -7.940 -6.035 -1.510 156 HD1 HIS 21 HD1 HIS 21 -7.604 -6.759 -4.209 157 HD2 HIS 21 HD2 HIS 21 -5.207 -3.608 -2.829 158 HE1 HIS 21 HE1 HIS 21 -5.733 -6.376 -5.908 159 H ASN 22 HN ASN 22 -8.562 -4.543 0.079 160 HA ASN 22 HA ASN 22 -10.367 -2.927 1.278 161 1HB ASN 22 HB2 ASN 22 -12.029 -4.530 2.405 162 2HB ASN 22 HB3 ASN 22 -12.361 -4.086 0.720 163 1HD2 ASN 22 HD22 ASN 22 -12.324 -7.384 -0.562 164 2HD2 ASN 22 HD21 ASN 22 -12.473 -5.688 -0.884 165 H THR 23 HN THR 23 -8.305 -2.571 2.287 166 HA THR 23 HA THR 23 -7.828 -4.452 4.497 167 HB THR 23 HB THR 23 -5.471 -4.463 4.374 168 HG1 THR 23 HG1 THR 23 -4.334 -3.519 2.721 169 1HG2 THR 23 HG21 THR 23 -6.644 -6.171 2.930 170 2HG2 THR 23 HG22 THR 23 -6.458 -5.064 1.510 171 3HG2 THR 23 HG23 THR 23 -5.004 -5.729 2.331 172 H SER 24 HN SER 24 -6.220 -3.270 6.098 173 HA SER 24 HA SER 24 -6.107 -0.426 5.845 174 1HB SER 24 HB2 SER 24 -6.783 0.116 8.178 175 2HB SER 24 HB3 SER 24 -8.144 -0.387 7.128 176 HG SER 24 HG SER 24 -6.836 -1.929 9.107 177 H ARG 25 HN ARG 25 -4.522 -2.894 5.502 178 HA ARG 25 HA ARG 25 -2.326 -2.279 7.295 179 1HB ARG 25 HB2 ARG 25 -1.741 -4.796 7.275 180 2HB ARG 25 HB3 ARG 25 -2.940 -4.200 8.450 181 1HG ARG 25 HG2 ARG 25 -3.956 -5.307 5.805 182 2HG ARG 25 HG3 ARG 25 -3.359 -6.431 7.073 183 1HD ARG 25 HD2 ARG 25 -4.990 -5.743 8.687 184 2HD ARG 25 HD3 ARG 25 -5.427 -4.270 7.727 185 HE ARG 25 HE ARG 25 -5.847 -6.712 6.160 186 1HH1 ARG 25 HH22 ARG 25 -7.311 -4.751 8.768 187 2HH1 ARG 25 HH21 ARG 25 -8.935 -5.228 8.394 188 1HH2 ARG 25 HH12 ARG 25 -8.038 -7.327 5.669 189 2HH2 ARG 25 HH11 ARG 25 -9.351 -6.708 6.614 190 H GLY 26 HN GLY 26 -0.560 -1.940 6.101 191 1HA GLY 26 HA1 GLY 26 -0.021 -3.032 3.563 192 2HA GLY 26 HA2 GLY 26 -0.697 -1.342 3.503 193 H LYS 27 HN LYS 27 2.068 -2.198 2.868 194 HA LYS 27 HA LYS 27 3.392 -0.186 4.463 195 1HB LYS 27 HB2 LYS 27 4.771 -2.923 4.049 196 2HB LYS 27 HB3 LYS 27 5.470 -1.448 4.802 197 1HG LYS 27 HG2 LYS 27 3.812 -1.626 6.661 198 2HG LYS 27 HG3 LYS 27 3.172 -3.141 5.922 199 1HD LYS 27 HD2 LYS 27 5.422 -4.207 6.163 200 2HD LYS 27 HD3 LYS 27 6.039 -2.708 6.951 201 1HE LYS 27 HE2 LYS 27 4.359 -2.974 8.803 202 2HE LYS 27 HE3 LYS 27 3.706 -4.463 8.002 203 1HZ LYS 27 HZ3 LYS 27 5.865 -5.483 8.269 204 2HZ LYS 27 HZ1 LYS 27 6.472 -4.089 9.030 205 3HZ LYS 27 HZ2 LYS 27 5.224 -4.981 9.760 206 H CYS 28 HN CYS 28 5.583 0.212 3.214 207 HA CYS 28 HA CYS 28 5.440 -0.595 0.398 208 1HB CYS 28 HB2 CYS 28 5.984 1.782 -0.309 209 2HB CYS 28 HB3 CYS 28 4.362 1.548 0.384 210 H MET 29 HN MET 29 7.579 0.171 -0.665 211 HA MET 29 HA MET 29 9.668 -0.989 0.998 212 1HB MET 29 HB2 MET 29 8.632 -1.933 -1.255 213 2HB MET 29 HB3 MET 29 9.824 -0.870 -2.023 214 1HG MET 29 HG2 MET 29 11.527 -2.001 -0.330 215 2HG MET 29 HG3 MET 29 10.180 -3.143 0.030 216 1HE MET 29 HE3 MET 29 12.240 -4.834 -0.483 217 2HE MET 29 HE1 MET 29 13.051 -4.990 -2.080 218 3HE MET 29 HE2 MET 29 13.296 -3.510 -1.090 219 H ASN 30 HN ASN 30 11.168 0.323 -1.618 220 HA ASN 30 HA ASN 30 12.220 2.533 -0.126 221 1HB ASN 30 HB2 ASN 30 13.872 2.740 -1.985 222 2HB ASN 30 HB3 ASN 30 13.814 1.143 -1.192 223 1HD2 ASN 30 HD22 ASN 30 13.263 1.408 -5.219 224 2HD2 ASN 30 HD21 ASN 30 13.618 2.785 -4.231 225 H LYS 31 HN LYS 31 10.148 2.160 -2.970 226 HA LYS 31 HA LYS 31 9.704 5.081 -3.065 227 1HB LYS 31 HB2 LYS 31 10.467 3.188 -5.329 228 2HB LYS 31 HB3 LYS 31 9.700 4.763 -5.663 229 1HG LYS 31 HG2 LYS 31 11.473 6.025 -4.648 230 2HG LYS 31 HG3 LYS 31 12.356 4.535 -4.168 231 1HD LYS 31 HD2 LYS 31 12.746 3.898 -6.462 232 2HD LYS 31 HD3 LYS 31 11.589 5.129 -7.076 233 1HE LYS 31 HE2 LYS 31 13.950 5.869 -7.461 234 2HE LYS 31 HE3 LYS 31 13.070 6.988 -6.345 235 1HZ LYS 31 HZ1 LYS 31 14.132 5.894 -4.494 236 2HZ LYS 31 HZ2 LYS 31 14.967 4.845 -5.537 237 3HZ LYS 31 HZ3 LYS 31 15.275 6.515 -5.586 238 H LYS 32 HN LYS 32 8.033 1.869 -3.085 239 HA LYS 32 HA LYS 32 5.717 3.213 -4.256 240 1HB LYS 32 HB2 LYS 32 5.344 1.744 -5.981 241 2HB LYS 32 HB3 LYS 32 7.008 2.356 -6.171 242 1HG LYS 32 HG2 LYS 32 7.869 0.222 -5.066 243 2HG LYS 32 HG3 LYS 32 6.175 -0.407 -5.115 244 1HD LYS 32 HD2 LYS 32 6.108 -0.080 -7.575 245 2HD LYS 32 HD3 LYS 32 7.809 0.502 -7.544 246 1HE LYS 32 HE2 LYS 32 7.720 -1.893 -8.264 247 2HE LYS 32 HE3 LYS 32 8.570 -1.756 -6.672 248 1HZ LYS 32 HZ1 LYS 32 5.730 -2.535 -7.091 249 2HZ LYS 32 HZ2 LYS 32 7.025 -3.569 -6.727 250 3HZ LYS 32 HZ3 LYS 32 6.522 -2.409 -5.592 251 1HN ABA 33 HN ABA 33 3.781 2.179 -3.957 252 HA ABA 33 HA ABA 33 3.302 1.116 -1.468 253 1HB ABA 33 HB3 ABA 33 1.496 1.345 -3.931 254 2HB ABA 33 HB2 ABA 33 1.885 2.648 -2.764 255 1HG ABA 33 HG1 ABA 33 0.940 1.284 -0.904 256 2HG ABA 33 HG2 ABA 33 -0.279 1.780 -2.146 257 3HG ABA 33 HG3 ABA 33 0.320 0.078 -2.080 258 H ARG 34 HN ARG 34 2.829 -0.917 -0.727 259 HA ARG 34 HA ARG 34 2.325 -3.134 -2.592 260 1HB ARG 34 HB2 ARG 34 4.344 -2.990 -0.362 261 2HB ARG 34 HB3 ARG 34 3.313 -4.455 -0.342 262 1HG ARG 34 HG2 ARG 34 3.836 -4.930 -2.704 263 2HG ARG 34 HG3 ARG 34 4.996 -3.551 -2.731 264 1HD ARG 34 HD2 ARG 34 6.423 -4.663 -1.004 265 2HD ARG 34 HD3 ARG 34 5.165 -5.935 -0.760 266 HE ARG 34 HE ARG 34 5.797 -7.020 -2.722 267 1HH1 ARG 34 HH22 ARG 34 7.457 -3.845 -2.652 268 2HH1 ARG 34 HH21 ARG 34 8.467 -4.211 -4.011 269 1HH2 ARG 34 HH12 ARG 34 7.153 -7.469 -4.531 270 2HH2 ARG 34 HH11 ARG 34 8.293 -6.292 -5.092 271 H CYS 35 HN CYS 35 1.286 -4.931 -1.006 272 HA CYS 35 HA CYS 35 -0.789 -3.695 0.598 273 1HB CYS 35 HB2 CYS 35 -1.341 -3.861 -2.019 274 2HB CYS 35 HB3 CYS 35 -1.647 -5.576 -1.683 275 H TYR 36 HN TYR 36 -1.446 -5.047 2.083 276 HA TYR 36 HA TYR 36 -0.079 -7.667 2.386 277 1HB TYR 36 HB2 TYR 36 0.152 -5.111 4.079 278 2HB TYR 36 HB3 TYR 36 0.473 -6.715 4.839 279 HD1 TYR 36 HD2 TYR 36 2.290 -8.194 3.788 280 HD2 TYR 36 HD1 TYR 36 1.763 -4.069 2.778 281 HE1 TYR 36 HE2 TYR 36 4.658 -8.068 3.041 282 HE2 TYR 36 HE1 TYR 36 4.133 -3.891 2.141 283 HH TYR 36 HH TYR 36 6.301 -6.769 2.262 284 H SER 37 HN SER 37 -2.149 -8.535 2.007 285 HA SER 37 HA SER 37 -4.325 -7.841 3.816 286 1HB SER 37 HB2 SER 37 -5.657 -9.471 2.481 287 2HB SER 37 HB3 SER 37 -4.939 -8.148 1.490 288 HG SER 37 HG SER 37 -4.700 -10.185 0.552 No H/Q in entry = 288 Start of MODEL 11 1 HA PCA 1 HA PGL 1 -4.135 -7.567 -3.644 2 1HB PCA 1 HB2 PGL 1 -2.096 -9.845 -4.000 3 2HB PCA 1 HB3 PGL 1 -3.401 -9.685 -2.761 4 1HG PCA 1 HG2 PGL 1 -3.623 -11.232 -5.096 5 2HG PCA 1 HG3 PGL 1 -5.066 -10.400 -4.352 6 HN PCA 1 HN PGL 1 -3.669 -7.240 -6.153 7 H PHE 2 HN PHE 2 -2.209 -6.333 -5.861 8 HA PHE 2 HA PHE 2 -0.394 -5.103 -3.976 9 1HB PHE 2 HB2 PHE 2 0.443 -6.703 -6.488 10 2HB PHE 2 HB3 PHE 2 1.440 -5.323 -5.914 11 HD1 PHE 2 HD2 PHE 2 1.921 -5.294 -3.296 12 HD2 PHE 2 HD1 PHE 2 1.049 -8.808 -5.615 13 HE1 PHE 2 HE2 PHE 2 3.041 -6.691 -1.594 14 HE2 PHE 2 HE1 PHE 2 2.180 -10.205 -3.916 15 HZ PHE 2 HZ PHE 2 3.174 -9.150 -1.901 16 H THR 3 HN THR 3 0.465 -3.150 -4.857 17 HA THR 3 HA THR 3 -1.169 -1.824 -6.910 18 HB THR 3 HB THR 3 -0.651 0.252 -5.344 19 HG1 THR 3 HG1 THR 3 0.044 -0.189 -3.468 20 1HG2 THR 3 HG22 THR 3 -2.717 -1.893 -4.537 21 2HG2 THR 3 HG23 THR 3 -2.701 -0.177 -3.990 22 3HG2 THR 3 HG21 THR 3 -2.931 -0.558 -5.739 23 H ASN 4 HN ASN 4 0.125 0.226 -7.668 24 HA ASN 4 HA ASN 4 2.994 0.009 -7.483 25 1HB ASN 4 HB2 ASN 4 3.231 0.112 -10.023 26 2HB ASN 4 HB3 ASN 4 2.788 -1.473 -9.343 27 1HD2 ASN 4 HD22 ASN 4 -0.311 -1.785 -11.034 28 2HD2 ASN 4 HD21 ASN 4 0.761 -2.417 -9.829 29 H VAL 5 HN VAL 5 1.683 1.794 -6.137 30 HA VAL 5 HA VAL 5 1.667 4.305 -7.668 31 HB VAL 5 HB VAL 5 0.991 4.158 -4.707 32 1HG1 VAL 5 HG11 VAL 5 -0.118 5.721 -7.154 33 2HG1 VAL 5 HG12 VAL 5 -0.628 5.932 -5.438 34 3HG1 VAL 5 HG13 VAL 5 1.032 6.393 -5.941 35 1HG2 VAL 5 HG23 VAL 5 -0.765 3.094 -6.992 36 2HG2 VAL 5 HG21 VAL 5 -0.223 2.260 -5.470 37 3HG2 VAL 5 HG22 VAL 5 -1.375 3.639 -5.391 38 H SER 6 HN SER 6 2.650 6.097 -5.804 39 HA SER 6 HA SER 6 5.360 5.151 -5.124 40 1HB SER 6 HB2 SER 6 5.998 7.611 -5.092 41 2HB SER 6 HB3 SER 6 5.637 6.878 -6.680 42 HG SER 6 HG SER 6 3.828 8.412 -5.125 43 H CYS 7 HN CYS 7 5.980 5.089 -3.120 44 HA CYS 7 HA CYS 7 4.438 6.531 -1.000 45 1HB CYS 7 HB2 CYS 7 3.332 4.544 -0.995 46 2HB CYS 7 HB3 CYS 7 4.778 3.550 -1.083 47 H THR 8 HN THR 8 5.615 7.001 0.817 48 HA THR 8 HA THR 8 8.471 6.336 0.948 49 HB THR 8 HB THR 8 8.938 8.674 1.863 50 HG1 THR 8 HG1 THR 8 6.524 9.181 0.447 51 1HG2 THR 8 HG21 THR 8 9.740 7.816 -0.349 52 2HG2 THR 8 HG22 THR 8 8.226 8.405 -1.133 53 3HG2 THR 8 HG23 THR 8 9.372 9.578 -0.387 54 H THR 9 HN THR 9 5.541 7.665 2.572 55 HA THR 9 HA THR 9 6.426 6.595 5.162 56 HB THR 9 HB THR 9 4.490 8.072 6.031 57 HG1 THR 9 HG1 THR 9 4.079 9.832 4.671 58 1HG2 THR 9 HG23 THR 9 6.913 8.555 6.312 59 2HG2 THR 9 HG21 THR 9 6.953 9.373 4.702 60 3HG2 THR 9 HG22 THR 9 5.951 10.056 6.041 61 H SER 10 HN SER 10 5.411 4.876 6.043 62 HA SER 10 HA SER 10 3.228 3.579 4.636 63 1HB SER 10 HB2 SER 10 4.874 2.661 7.067 64 2HB SER 10 HB3 SER 10 3.669 1.670 6.150 65 HG SER 10 HG SER 10 6.020 2.869 5.123 66 H LYS 11 HN LYS 11 1.693 5.223 5.053 67 HA LYS 11 HA LYS 11 0.018 4.966 7.280 68 1HB LYS 11 HB2 LYS 11 1.849 6.379 8.372 69 2HB LYS 11 HB3 LYS 11 1.607 7.629 7.120 70 1HG LYS 11 HG2 LYS 11 -0.815 7.841 7.927 71 2HG LYS 11 HG3 LYS 11 -0.447 6.650 9.218 72 1HD LYS 11 HD2 LYS 11 0.938 9.397 8.855 73 2HD LYS 11 HD3 LYS 11 -0.474 9.062 9.906 74 1HE LYS 11 HE2 LYS 11 1.360 9.073 11.401 75 2HE LYS 11 HE3 LYS 11 0.984 7.320 11.165 76 1HZ LYS 11 HZ1 LYS 11 3.137 8.872 9.813 77 2HZ LYS 11 HZ2 LYS 11 3.332 7.790 11.107 78 3HZ LYS 11 HZ3 LYS 11 2.809 7.220 9.594 79 H GLU 12 HN GLU 12 1.389 7.056 4.693 80 HA GLU 12 HA GLU 12 -0.641 8.438 3.729 81 1HB GLU 12 HB2 GLU 12 1.888 8.423 3.396 82 2HB GLU 12 HB3 GLU 12 1.716 7.176 2.162 83 1HG GLU 12 HG2 GLU 12 0.254 9.899 2.031 84 2HG GLU 12 HG3 GLU 12 1.971 9.704 1.527 85 1HN ABA 13 HN ABA 13 0.351 5.181 2.608 86 HA ABA 13 HA ABA 13 -1.601 5.187 0.423 87 1HB ABA 13 HB3 ABA 13 0.766 5.011 -0.120 88 2HB ABA 13 HB2 ABA 13 -0.129 3.559 -0.602 89 1HG ABA 13 HG1 ABA 13 0.856 2.322 1.413 90 2HG ABA 13 HG2 ABA 13 2.092 3.080 0.333 91 3HG ABA 13 HG3 ABA 13 1.671 3.869 1.898 92 H TRP 14 HN TRP 14 -2.315 4.543 3.293 93 HA TRP 14 HA TRP 14 -3.008 1.741 3.275 94 1HB TRP 14 HB2 TRP 14 -3.317 4.005 5.318 95 2HB TRP 14 HB3 TRP 14 -4.023 2.375 5.588 96 HD1 TRP 14 HD1 TRP 14 -0.335 3.109 4.285 97 HE1 TRP 14 HE1 TRP 14 1.105 1.449 5.538 98 HE3 TRP 14 HE3 TRP 14 -3.781 1.409 7.659 99 HZ2 TRP 14 HZ2 TRP 14 0.973 -0.127 7.903 100 HZ3 TRP 14 HZ3 TRP 14 -3.059 -0.209 9.378 101 HH2 TRP 14 HH2 TRP 14 -0.724 -1.020 9.449 102 H SER 15 HN SER 15 -4.580 4.759 2.319 103 HA SER 15 HA SER 15 -7.249 3.661 2.347 104 1HB SER 15 HB2 SER 15 -7.897 5.961 1.552 105 2HB SER 15 HB3 SER 15 -7.054 5.931 3.135 106 HG SER 15 HG SER 15 -6.305 7.551 1.761 107 H VAL 16 HN VAL 16 -4.536 3.365 0.456 108 HA VAL 16 HA VAL 16 -5.879 3.264 -2.150 109 HB VAL 16 HB VAL 16 -2.933 2.795 -1.438 110 1HG1 VAL 16 HG13 VAL 16 -4.428 3.293 -4.107 111 2HG1 VAL 16 HG11 VAL 16 -2.641 3.259 -3.892 112 3HG1 VAL 16 HG12 VAL 16 -3.596 1.765 -3.626 113 1HG2 VAL 16 HG23 VAL 16 -4.410 5.335 -2.382 114 2HG2 VAL 16 HG21 VAL 16 -3.575 5.105 -0.798 115 3HG2 VAL 16 HG22 VAL 16 -2.623 5.128 -2.322 116 H CYS 17 HN CYS 17 -4.493 1.109 0.385 117 HA CYS 17 HA CYS 17 -5.060 -1.291 -1.015 118 1HB CYS 17 HB2 CYS 17 -4.311 -0.475 1.810 119 2HB CYS 17 HB3 CYS 17 -4.914 -2.140 1.582 120 H GLN 18 HN GLN 18 -7.175 0.957 0.631 121 HA GLN 18 HA GLN 18 -9.189 -0.918 1.379 122 1HB GLN 18 HB2 GLN 18 -8.395 1.167 2.600 123 2HB GLN 18 HB3 GLN 18 -9.204 2.174 1.381 124 1HG GLN 18 HG2 GLN 18 -10.574 -0.053 3.012 125 2HG GLN 18 HG3 GLN 18 -10.381 1.635 3.629 126 1HE2 GLN 18 HE22 GLN 18 -13.598 0.782 1.336 127 2HE2 GLN 18 HE21 GLN 18 -12.603 -0.399 2.122 128 H ARG 19 HN ARG 19 -8.880 1.824 -0.876 129 HA ARG 19 HA ARG 19 -11.409 1.456 -2.126 130 1HB ARG 19 HB2 ARG 19 -9.155 3.390 -2.723 131 2HB ARG 19 HB3 ARG 19 -10.777 3.401 -3.513 132 1HG ARG 19 HG2 ARG 19 -11.834 3.491 -1.213 133 2HG ARG 19 HG3 ARG 19 -10.210 3.802 -0.516 134 1HD ARG 19 HD2 ARG 19 -11.576 5.469 -2.730 135 2HD ARG 19 HD3 ARG 19 -11.618 5.892 -0.969 136 HE ARG 19 HE ARG 19 -9.120 5.744 -2.730 137 1HH1 ARG 19 HH12 ARG 19 -10.747 7.101 0.160 138 2HH1 ARG 19 HH11 ARG 19 -9.416 8.131 0.572 139 1HH2 ARG 19 HH22 ARG 19 -7.363 7.129 -2.145 140 2HH2 ARG 19 HH21 ARG 19 -7.479 8.146 -0.746 141 H LEU 20 HN LEU 20 -8.379 -0.050 -2.769 142 HA LEU 20 HA LEU 20 -8.933 -0.691 -5.570 143 1HB LEU 20 HB2 LEU 20 -6.638 -0.982 -3.646 144 2HB LEU 20 HB3 LEU 20 -6.754 -2.261 -4.888 145 HG LEU 20 HG LEU 20 -5.237 -0.417 -5.390 146 1HD1 LEU 20 HD11 LEU 20 -6.057 -2.002 -7.110 147 2HD1 LEU 20 HD12 LEU 20 -7.459 -0.927 -7.470 148 3HD1 LEU 20 HD13 LEU 20 -5.781 -0.369 -7.824 149 1HD2 LEU 20 HD23 LEU 20 -6.594 1.582 -4.681 150 2HD2 LEU 20 HD21 LEU 20 -6.005 1.710 -6.376 151 3HD2 LEU 20 HD22 LEU 20 -7.725 1.293 -6.055 152 H HIS 21 HN HIS 21 -8.143 -2.477 -2.543 153 HA HIS 21 HA HIS 21 -9.665 -4.800 -3.431 154 1HB HIS 21 HB2 HIS 21 -7.587 -4.462 -1.189 155 2HB HIS 21 HB3 HIS 21 -8.308 -6.014 -1.763 156 HD1 HIS 21 HD1 HIS 21 -7.609 -6.593 -4.393 157 HD2 HIS 21 HD2 HIS 21 -5.447 -3.489 -2.582 158 HE1 HIS 21 HE1 HIS 21 -5.525 -6.148 -5.803 159 H ASN 22 HN ASN 22 -9.085 -4.624 -0.123 160 HA ASN 22 HA ASN 22 -11.165 -3.176 0.935 161 1HB ASN 22 HB2 ASN 22 -12.845 -4.922 1.671 162 2HB ASN 22 HB3 ASN 22 -12.902 -4.550 -0.061 163 1HD2 ASN 22 HD22 ASN 22 -11.994 -7.833 -1.195 164 2HD2 ASN 22 HD21 ASN 22 -12.041 -6.155 -1.624 165 H THR 23 HN THR 23 -8.755 -3.080 1.796 166 HA THR 23 HA THR 23 -8.736 -4.603 4.256 167 HB THR 23 HB THR 23 -7.532 -6.004 2.482 168 HG1 THR 23 HG1 THR 23 -7.314 -6.274 4.671 169 1HG2 THR 23 HG21 THR 23 -6.246 -4.123 1.368 170 2HG2 THR 23 HG22 THR 23 -5.284 -3.934 2.891 171 3HG2 THR 23 HG23 THR 23 -5.196 -5.458 1.964 172 H SER 24 HN SER 24 -6.483 -3.774 5.395 173 HA SER 24 HA SER 24 -6.132 -0.939 4.984 174 1HB SER 24 HB2 SER 24 -6.684 -0.331 7.375 175 2HB SER 24 HB3 SER 24 -8.111 -0.795 6.396 176 HG SER 24 HG SER 24 -8.124 -1.733 8.430 177 H ARG 25 HN ARG 25 -4.762 -3.700 4.904 178 HA ARG 25 HA ARG 25 -2.410 -2.940 6.524 179 1HB ARG 25 HB2 ARG 25 -3.257 -5.803 5.709 180 2HB ARG 25 HB3 ARG 25 -1.719 -5.322 6.496 181 1HG ARG 25 HG2 ARG 25 -2.943 -6.273 8.201 182 2HG ARG 25 HG3 ARG 25 -3.041 -4.510 8.504 183 1HD ARG 25 HD2 ARG 25 -5.220 -5.738 8.952 184 2HD ARG 25 HD3 ARG 25 -5.392 -4.481 7.680 185 HE ARG 25 HE ARG 25 -5.598 -6.122 5.988 186 1HH1 ARG 25 HH22 ARG 25 -4.935 -7.735 9.120 187 2HH1 ARG 25 HH21 ARG 25 -5.343 -9.313 8.534 188 1HH2 ARG 25 HH12 ARG 25 -6.172 -8.235 5.251 189 2HH2 ARG 25 HH11 ARG 25 -6.056 -9.601 6.308 190 H GLY 26 HN GLY 26 -0.808 -2.402 5.306 191 1HA GLY 26 HA1 GLY 26 0.235 -3.376 3.053 192 2HA GLY 26 HA2 GLY 26 -1.113 -2.328 2.444 193 H LYS 27 HN LYS 27 2.077 -2.285 2.927 194 HA LYS 27 HA LYS 27 2.305 0.391 4.129 195 1HB LYS 27 HB2 LYS 27 4.239 -2.024 4.200 196 2HB LYS 27 HB3 LYS 27 4.574 -0.394 4.896 197 1HG LYS 27 HG2 LYS 27 2.664 -0.658 6.440 198 2HG LYS 27 HG3 LYS 27 2.397 -2.337 5.828 199 1HD LYS 27 HD2 LYS 27 4.411 -3.148 6.772 200 2HD LYS 27 HD3 LYS 27 5.164 -1.518 6.826 201 1HE LYS 27 HE2 LYS 27 4.590 -2.357 9.124 202 2HE LYS 27 HE3 LYS 27 3.744 -0.811 8.705 203 1HZ LYS 27 HZ1 LYS 27 1.783 -2.086 8.181 204 2HZ LYS 27 HZ2 LYS 27 2.565 -3.539 8.586 205 3HZ LYS 27 HZ3 LYS 27 2.294 -2.357 9.778 206 H CYS 28 HN CYS 28 5.231 0.071 3.275 207 HA CYS 28 HA CYS 28 5.209 -0.415 0.480 208 1HB CYS 28 HB2 CYS 28 6.050 1.888 -0.232 209 2HB CYS 28 HB3 CYS 28 4.365 1.830 0.312 210 H MET 29 HN MET 29 7.446 0.134 -0.427 211 HA MET 29 HA MET 29 9.441 -0.969 1.362 212 1HB MET 29 HB2 MET 29 8.683 -1.900 -0.949 213 2HB MET 29 HB3 MET 29 9.646 -0.595 -1.670 214 1HG MET 29 HG2 MET 29 11.620 -1.531 -0.218 215 2HG MET 29 HG3 MET 29 10.506 -2.868 0.233 216 1HE MET 29 HE3 MET 29 13.443 -3.021 -1.072 217 2HE MET 29 HE1 MET 29 12.474 -4.442 -0.548 218 3HE MET 29 HE2 MET 29 13.226 -4.419 -2.180 219 H ASN 30 HN ASN 30 11.151 0.518 -0.977 220 HA ASN 30 HA ASN 30 11.685 2.908 0.547 221 1HB ASN 30 HB2 ASN 30 13.548 3.222 -1.238 222 2HB ASN 30 HB3 ASN 30 13.660 1.922 -0.027 223 1HD2 ASN 30 HD22 ASN 30 13.863 -0.713 -2.332 224 2HD2 ASN 30 HD21 ASN 30 13.989 -0.148 -0.700 225 H LYS 31 HN LYS 31 10.136 2.163 -2.557 226 HA LYS 31 HA LYS 31 9.699 5.055 -3.012 227 1HB LYS 31 HB2 LYS 31 10.625 2.934 -5.008 228 2HB LYS 31 HB3 LYS 31 10.113 4.596 -5.460 229 1HG LYS 31 HG2 LYS 31 11.941 5.564 -4.066 230 2HG LYS 31 HG3 LYS 31 12.488 3.907 -3.662 231 1HD LYS 31 HD2 LYS 31 13.864 4.073 -5.416 232 2HD LYS 31 HD3 LYS 31 12.418 3.723 -6.419 233 1HE LYS 31 HE2 LYS 31 13.578 6.521 -5.716 234 2HE LYS 31 HE3 LYS 31 13.699 5.683 -7.314 235 1HZ LYS 31 HZ3 LYS 31 11.297 5.793 -7.480 236 2HZ LYS 31 HZ1 LYS 31 11.204 6.597 -5.986 237 3HZ LYS 31 HZ2 LYS 31 11.987 7.334 -7.301 238 H LYS 32 HN LYS 32 7.998 1.909 -2.881 239 HA LYS 32 HA LYS 32 5.848 3.117 -4.460 240 1HB LYS 32 HB2 LYS 32 5.623 1.362 -5.965 241 2HB LYS 32 HB3 LYS 32 7.272 2.025 -6.109 242 1HG LYS 32 HG2 LYS 32 8.116 0.114 -4.615 243 2HG LYS 32 HG3 LYS 32 6.495 -0.653 -4.804 244 1HD LYS 32 HD2 LYS 32 6.792 -0.537 -7.306 245 2HD LYS 32 HD3 LYS 32 8.431 0.156 -7.048 246 1HE LYS 32 HE2 LYS 32 9.081 -1.968 -5.771 247 2HE LYS 32 HE3 LYS 32 7.454 -2.659 -6.176 248 1HZ LYS 32 HZ3 LYS 32 8.012 -2.420 -8.509 249 2HZ LYS 32 HZ1 LYS 32 9.546 -1.813 -8.107 250 3HZ LYS 32 HZ2 LYS 32 9.127 -3.403 -7.687 251 1HN ABA 33 HN ABA 33 3.776 2.122 -4.198 252 HA ABA 33 HA ABA 33 3.299 1.310 -1.548 253 1HB ABA 33 HB3 ABA 33 1.414 1.611 -3.926 254 2HB ABA 33 HB2 ABA 33 1.915 2.880 -2.753 255 1HG ABA 33 HG1 ABA 33 -0.272 2.086 -2.086 256 2HG ABA 33 HG2 ABA 33 0.286 0.378 -1.978 257 3HG ABA 33 HG3 ABA 33 0.982 1.587 -0.878 258 H ARG 34 HN ARG 34 2.700 -0.622 -0.734 259 HA ARG 34 HA ARG 34 2.611 -3.063 -2.384 260 1HB ARG 34 HB2 ARG 34 4.041 -2.414 0.239 261 2HB ARG 34 HB3 ARG 34 3.340 -4.054 0.054 262 1HG ARG 34 HG2 ARG 34 5.650 -4.128 -0.478 263 2HG ARG 34 HG3 ARG 34 4.628 -4.554 -1.893 264 1HD ARG 34 HD2 ARG 34 5.147 -2.322 -2.951 265 2HD ARG 34 HD3 ARG 34 6.042 -1.833 -1.459 266 HE ARG 34 HE ARG 34 7.870 -3.093 -2.147 267 1HH1 ARG 34 HH22 ARG 34 5.045 -4.201 -4.051 268 2HH1 ARG 34 HH21 ARG 34 5.987 -5.232 -5.077 269 1HH2 ARG 34 HH12 ARG 34 9.099 -4.484 -3.536 270 2HH2 ARG 34 HH11 ARG 34 8.308 -5.393 -4.780 271 H CYS 35 HN CYS 35 1.267 -4.755 -1.150 272 HA CYS 35 HA CYS 35 -0.613 -3.684 0.711 273 1HB CYS 35 HB2 CYS 35 -1.510 -3.330 -1.755 274 2HB CYS 35 HB3 CYS 35 -1.869 -5.074 -1.722 275 H TYR 36 HN TYR 36 -1.139 -5.099 2.098 276 HA TYR 36 HA TYR 36 0.195 -7.749 1.984 277 1HB TYR 36 HB2 TYR 36 0.459 -5.392 3.952 278 2HB TYR 36 HB3 TYR 36 0.985 -7.046 4.428 279 HD1 TYR 36 HD1 TYR 36 2.377 -8.101 2.091 280 HD2 TYR 36 HD2 TYR 36 2.346 -4.121 3.703 281 HE1 TYR 36 HE1 TYR 36 4.680 -7.752 1.275 282 HE2 TYR 36 HE2 TYR 36 4.669 -3.778 2.928 283 HH TYR 36 HH TYR 36 6.451 -6.375 1.191 284 H SER 37 HN SER 37 -2.279 -8.061 1.509 285 HA SER 37 HA SER 37 -3.958 -8.026 3.865 286 1HB SER 37 HB2 SER 37 -5.643 -9.162 2.401 287 2HB SER 37 HB3 SER 37 -5.084 -7.564 1.793 288 HG SER 37 HG SER 37 -5.178 -9.139 0.186 No H/Q in entry = 288 Start of MODEL 12 1 HA PCA 1 HA PGL 1 -4.643 -7.407 -5.793 2 1HB PCA 1 HB2 PGL 1 -2.914 -9.368 -4.562 3 2HB PCA 1 HB3 PGL 1 -4.545 -9.635 -5.260 4 1HG PCA 1 HG2 PGL 1 -1.852 -10.228 -6.524 5 2HG PCA 1 HG3 PGL 1 -3.457 -11.062 -6.747 6 HN PCA 1 HN PGL 1 -3.742 -7.160 -8.027 7 H PHE 2 HN PHE 2 -1.816 -6.474 -7.264 8 HA PHE 2 HA PHE 2 -0.571 -5.296 -4.863 9 1HB PHE 2 HB2 PHE 2 0.676 -6.004 -7.607 10 2HB PHE 2 HB3 PHE 2 1.541 -5.252 -6.207 11 HD1 PHE 2 HD1 PHE 2 1.304 -6.570 -3.909 12 HD2 PHE 2 HD2 PHE 2 0.771 -8.324 -7.801 13 HE1 PHE 2 HE1 PHE 2 1.715 -8.812 -2.958 14 HE2 PHE 2 HE2 PHE 2 1.192 -10.564 -6.846 15 HZ PHE 2 HZ PHE 2 1.650 -10.816 -4.420 16 H THR 3 HN THR 3 0.358 -3.145 -5.207 17 HA THR 3 HA THR 3 -1.208 -1.465 -7.046 18 HB THR 3 HB THR 3 -0.731 0.298 -5.194 19 HG1 THR 3 HG1 THR 3 0.513 -0.505 -3.756 20 1HG2 THR 3 HG21 THR 3 -2.609 -2.112 -4.701 21 2HG2 THR 3 HG22 THR 3 -2.663 -0.557 -3.801 22 3HG2 THR 3 HG23 THR 3 -2.966 -0.574 -5.584 23 H ASN 4 HN ASN 4 -0.002 0.419 -7.876 24 HA ASN 4 HA ASN 4 2.906 0.235 -7.776 25 1HB ASN 4 HB2 ASN 4 3.027 0.425 -10.290 26 2HB ASN 4 HB3 ASN 4 2.471 -1.159 -9.689 27 1HD2 ASN 4 HD22 ASN 4 0.129 0.960 -12.277 28 2HD2 ASN 4 HD21 ASN 4 1.708 1.485 -11.793 29 H VAL 5 HN VAL 5 1.486 1.921 -6.284 30 HA VAL 5 HA VAL 5 1.538 4.545 -7.576 31 HB VAL 5 HB VAL 5 0.975 4.049 -4.623 32 1HG1 VAL 5 HG13 VAL 5 -0.108 6.022 -6.768 33 2HG1 VAL 5 HG11 VAL 5 -0.625 5.958 -5.043 34 3HG1 VAL 5 HG12 VAL 5 1.047 6.449 -5.451 35 1HG2 VAL 5 HG23 VAL 5 -0.881 3.428 -6.994 36 2HG2 VAL 5 HG21 VAL 5 -0.362 2.342 -5.634 37 3HG2 VAL 5 HG22 VAL 5 -1.443 3.744 -5.315 38 H SER 6 HN SER 6 2.616 6.129 -5.556 39 HA SER 6 HA SER 6 5.342 5.096 -5.079 40 1HB SER 6 HB2 SER 6 6.099 7.526 -5.041 41 2HB SER 6 HB3 SER 6 5.680 6.809 -6.622 42 HG SER 6 HG SER 6 4.820 8.874 -6.342 43 H CYS 7 HN CYS 7 6.043 5.013 -3.062 44 HA CYS 7 HA CYS 7 4.527 6.446 -0.913 45 1HB CYS 7 HB2 CYS 7 3.323 4.512 -0.966 46 2HB CYS 7 HB3 CYS 7 4.729 3.461 -1.080 47 H THR 8 HN THR 8 5.695 6.844 0.890 48 HA THR 8 HA THR 8 8.501 6.010 1.087 49 HB THR 8 HB THR 8 9.060 8.316 2.041 50 HG1 THR 8 HG1 THR 8 7.816 9.983 1.208 51 1HG2 THR 8 HG22 THR 8 9.860 7.427 -0.174 52 2HG2 THR 8 HG23 THR 8 8.399 8.114 -0.973 53 3HG2 THR 8 HG21 THR 8 9.598 9.209 -0.194 54 H THR 9 HN THR 9 5.605 7.481 2.655 55 HA THR 9 HA THR 9 6.419 6.447 5.273 56 HB THR 9 HB THR 9 4.521 7.959 6.103 57 HG1 THR 9 HG1 THR 9 4.868 8.981 3.472 58 1HG2 THR 9 HG22 THR 9 6.948 8.460 6.307 59 2HG2 THR 9 HG23 THR 9 6.949 9.202 4.659 60 3HG2 THR 9 HG21 THR 9 5.979 9.945 5.989 61 H SER 10 HN SER 10 5.382 4.829 6.271 62 HA SER 10 HA SER 10 3.298 3.367 4.895 63 1HB SER 10 HB2 SER 10 3.802 1.608 6.660 64 2HB SER 10 HB3 SER 10 5.161 2.057 5.579 65 HG SER 10 HG SER 10 4.747 3.033 8.201 66 H LYS 11 HN LYS 11 1.745 5.110 5.209 67 HA LYS 11 HA LYS 11 -0.062 4.735 7.280 68 1HB LYS 11 HB2 LYS 11 1.845 6.201 8.406 69 2HB LYS 11 HB3 LYS 11 1.200 7.551 7.464 70 1HG LYS 11 HG2 LYS 11 -0.393 5.687 9.343 71 2HG LYS 11 HG3 LYS 11 0.435 7.171 9.924 72 1HD LYS 11 HD2 LYS 11 -1.917 7.183 7.914 73 2HD LYS 11 HD3 LYS 11 -2.046 7.340 9.685 74 1HE LYS 11 HE2 LYS 11 -2.186 9.566 8.802 75 2HE LYS 11 HE3 LYS 11 -0.573 9.417 9.606 76 1HZ LYS 11 HZ3 LYS 11 0.387 9.060 7.413 77 2HZ LYS 11 HZ1 LYS 11 -1.138 9.247 6.689 78 3HZ LYS 11 HZ2 LYS 11 -0.425 10.547 7.519 79 H GLU 12 HN GLU 12 1.406 6.882 4.793 80 HA GLU 12 HA GLU 12 -0.640 8.299 3.873 81 1HB GLU 12 HB2 GLU 12 1.955 8.189 3.498 82 2HB GLU 12 HB3 GLU 12 1.607 7.250 2.049 83 1HG GLU 12 HG2 GLU 12 0.453 10.053 2.714 84 2HG GLU 12 HG3 GLU 12 1.976 9.780 1.796 85 1HN ABA 13 HN ABA 13 0.285 5.037 2.673 86 HA ABA 13 HA ABA 13 -1.698 5.135 0.507 87 1HB ABA 13 HB3 ABA 13 0.610 4.936 -0.168 88 2HB ABA 13 HB2 ABA 13 -0.291 3.460 -0.562 89 1HG ABA 13 HG1 ABA 13 1.996 3.060 0.271 90 2HG ABA 13 HG2 ABA 13 1.613 3.841 1.849 91 3HG ABA 13 HG3 ABA 13 0.801 2.284 1.397 92 H TRP 14 HN TRP 14 -2.552 4.598 3.251 93 HA TRP 14 HA TRP 14 -3.255 1.800 3.339 94 1HB TRP 14 HB2 TRP 14 -3.709 4.154 5.230 95 2HB TRP 14 HB3 TRP 14 -4.459 2.544 5.511 96 HD1 TRP 14 HD1 TRP 14 -0.680 3.204 4.472 97 HE1 TRP 14 HE1 TRP 14 0.694 1.691 5.933 98 HE3 TRP 14 HE3 TRP 14 -4.386 1.612 7.622 99 HZ2 TRP 14 HZ2 TRP 14 0.325 0.039 8.241 100 HZ3 TRP 14 HZ3 TRP 14 -3.814 -0.004 9.399 101 HH2 TRP 14 HH2 TRP 14 -1.498 -0.824 9.665 102 H SER 15 HN SER 15 -4.743 4.781 2.111 103 HA SER 15 HA SER 15 -7.391 3.640 1.943 104 1HB SER 15 HB2 SER 15 -8.006 5.878 0.977 105 2HB SER 15 HB3 SER 15 -7.311 5.945 2.629 106 HG SER 15 HG SER 15 -6.485 7.517 1.238 107 H VAL 16 HN VAL 16 -4.541 3.232 0.335 108 HA VAL 16 HA VAL 16 -5.632 2.993 -2.374 109 HB VAL 16 HB VAL 16 -2.799 2.503 -1.321 110 1HG1 VAL 16 HG12 VAL 16 -3.343 1.309 -3.496 111 2HG1 VAL 16 HG13 VAL 16 -3.890 2.874 -4.199 112 3HG1 VAL 16 HG11 VAL 16 -2.165 2.633 -3.707 113 1HG2 VAL 16 HG22 VAL 16 -4.074 4.982 -2.655 114 2HG2 VAL 16 HG23 VAL 16 -3.433 4.878 -0.970 115 3HG2 VAL 16 HG21 VAL 16 -2.312 4.738 -2.365 116 H CYS 17 HN CYS 17 -4.547 0.995 0.421 117 HA CYS 17 HA CYS 17 -5.185 -1.493 -0.819 118 1HB CYS 17 HB2 CYS 17 -4.865 -0.556 2.099 119 2HB CYS 17 HB3 CYS 17 -5.223 -2.265 1.706 120 H GLN 18 HN GLN 18 -7.253 1.063 0.486 121 HA GLN 18 HA GLN 18 -9.336 -0.708 1.335 122 1HB GLN 18 HB2 GLN 18 -8.482 1.464 2.431 123 2HB GLN 18 HB3 GLN 18 -9.431 2.347 1.202 124 1HG GLN 18 HG2 GLN 18 -11.483 1.009 1.962 125 2HG GLN 18 HG3 GLN 18 -10.428 0.186 3.177 126 1HE2 GLN 18 HE22 GLN 18 -9.920 3.284 5.147 127 2HE2 GLN 18 HE21 GLN 18 -9.024 1.949 4.500 128 H ARG 19 HN ARG 19 -8.735 1.652 -1.313 129 HA ARG 19 HA ARG 19 -11.396 1.409 -2.392 130 1HB ARG 19 HB2 ARG 19 -9.050 3.144 -3.181 131 2HB ARG 19 HB3 ARG 19 -10.691 3.186 -3.938 132 1HG ARG 19 HG2 ARG 19 -11.665 3.565 -1.612 133 2HG ARG 19 HG3 ARG 19 -9.993 3.774 -1.002 134 1HD ARG 19 HD2 ARG 19 -11.312 5.405 -3.258 135 2HD ARG 19 HD3 ARG 19 -11.170 5.944 -1.527 136 HE ARG 19 HE ARG 19 -8.770 5.297 -3.321 137 1HH1 ARG 19 HH22 ARG 19 -10.304 7.484 -0.942 138 2HH1 ARG 19 HH21 ARG 19 -8.928 8.530 -0.832 139 1HH2 ARG 19 HH12 ARG 19 -6.948 6.698 -3.149 140 2HH2 ARG 19 HH11 ARG 19 -6.995 8.077 -2.104 141 H LEU 20 HN LEU 20 -8.366 -0.217 -2.946 142 HA LEU 20 HA LEU 20 -8.860 -0.867 -5.750 143 1HB LEU 20 HB2 LEU 20 -6.626 -1.225 -3.734 144 2HB LEU 20 HB3 LEU 20 -6.657 -2.366 -5.114 145 HG LEU 20 HG LEU 20 -5.148 -0.428 -5.313 146 1HD1 LEU 20 HD13 LEU 20 -5.800 -1.853 -7.239 147 2HD1 LEU 20 HD11 LEU 20 -7.223 -0.791 -7.564 148 3HD1 LEU 20 HD12 LEU 20 -5.551 -0.145 -7.761 149 1HD2 LEU 20 HD21 LEU 20 -6.632 1.443 -4.508 150 2HD2 LEU 20 HD22 LEU 20 -5.920 1.758 -6.133 151 3HD2 LEU 20 HD23 LEU 20 -7.642 1.250 -5.989 152 H HIS 21 HN HIS 21 -8.099 -2.686 -2.709 153 HA HIS 21 HA HIS 21 -9.929 -4.840 -3.506 154 1HB HIS 21 HB2 HIS 21 -8.424 -5.980 -1.526 155 2HB HIS 21 HB3 HIS 21 -8.060 -6.036 -3.276 156 HD1 HIS 21 HD1 HIS 21 -6.841 -4.449 -0.120 157 HD2 HIS 21 HD2 HIS 21 -5.782 -4.506 -4.179 158 HE1 HIS 21 HE1 HIS 21 -4.564 -3.390 -0.393 159 H ASN 22 HN ASN 22 -9.048 -4.671 -0.179 160 HA ASN 22 HA ASN 22 -10.870 -2.853 0.812 161 1HB ASN 22 HB2 ASN 22 -12.772 -4.430 1.668 162 2HB ASN 22 HB3 ASN 22 -12.837 -3.857 -0.005 163 1HD2 ASN 22 HD22 ASN 22 -13.137 -7.066 -1.376 164 2HD2 ASN 22 HD21 ASN 22 -13.388 -5.356 -1.492 165 H THR 23 HN THR 23 -8.616 -2.939 1.842 166 HA THR 23 HA THR 23 -8.995 -4.218 4.378 167 HB THR 23 HB THR 23 -7.882 -6.019 3.059 168 HG1 THR 23 HG1 THR 23 -7.737 -5.846 5.277 169 1HG2 THR 23 HG21 THR 23 -5.460 -4.099 3.037 170 2HG2 THR 23 HG22 THR 23 -5.431 -5.855 2.683 171 3HG2 THR 23 HG23 THR 23 -6.367 -4.737 1.601 172 H SER 24 HN SER 24 -6.410 -3.576 5.422 173 HA SER 24 HA SER 24 -6.324 -0.655 5.180 174 1HB SER 24 HB2 SER 24 -6.605 -2.245 7.815 175 2HB SER 24 HB3 SER 24 -6.247 -0.476 7.689 176 HG SER 24 HG SER 24 -8.224 -0.261 6.599 177 H ARG 25 HN ARG 25 -4.828 -3.839 6.005 178 HA ARG 25 HA ARG 25 -2.385 -2.563 6.840 179 1HB ARG 25 HB2 ARG 25 -1.584 -4.903 7.338 180 2HB ARG 25 HB3 ARG 25 -2.896 -4.236 8.334 181 1HG ARG 25 HG2 ARG 25 -3.689 -5.945 5.944 182 2HG ARG 25 HG3 ARG 25 -2.983 -6.733 7.395 183 1HD ARG 25 HD2 ARG 25 -4.673 -5.872 8.876 184 2HD ARG 25 HD3 ARG 25 -5.315 -4.744 7.605 185 HE ARG 25 HE ARG 25 -5.723 -6.975 6.251 186 1HH1 ARG 25 HH22 ARG 25 -6.343 -6.439 9.741 187 2HH1 ARG 25 HH21 ARG 25 -7.761 -7.435 9.773 188 1HH2 ARG 25 HH12 ARG 25 -7.583 -8.374 6.351 189 2HH2 ARG 25 HH11 ARG 25 -8.471 -8.544 7.829 190 H GLY 26 HN GLY 26 -0.672 -2.403 5.690 191 1HA GLY 26 HA1 GLY 26 0.378 -3.496 3.491 192 2HA GLY 26 HA2 GLY 26 -1.014 -2.513 2.868 193 H LYS 27 HN LYS 27 2.094 -2.243 2.910 194 HA LYS 27 HA LYS 27 2.296 0.484 3.979 195 1HB LYS 27 HB2 LYS 27 4.372 -1.771 4.416 196 2HB LYS 27 HB3 LYS 27 4.506 -0.055 4.944 197 1HG LYS 27 HG2 LYS 27 2.449 -0.433 6.390 198 2HG LYS 27 HG3 LYS 27 2.549 -2.184 5.959 199 1HD LYS 27 HD2 LYS 27 4.809 -2.330 6.968 200 2HD LYS 27 HD3 LYS 27 4.791 -0.561 7.308 201 1HE LYS 27 HE2 LYS 27 2.829 -0.844 8.837 202 2HE LYS 27 HE3 LYS 27 2.825 -2.627 8.519 203 1HZ LYS 27 HZ1 LYS 27 5.052 -2.725 9.435 204 2HZ LYS 27 HZ2 LYS 27 5.031 -1.055 9.746 205 3HZ LYS 27 HZ3 LYS 27 3.943 -2.081 10.550 206 H CYS 28 HN CYS 28 5.289 -0.059 3.175 207 HA CYS 28 HA CYS 28 5.148 -0.522 0.350 208 1HB CYS 28 HB2 CYS 28 6.046 1.804 -0.277 209 2HB CYS 28 HB3 CYS 28 4.360 1.709 0.246 210 H MET 29 HN MET 29 7.415 0.086 -0.603 211 HA MET 29 HA MET 29 9.469 -1.037 1.107 212 1HB MET 29 HB2 MET 29 8.745 -1.896 -1.223 213 2HB MET 29 HB3 MET 29 9.607 -0.498 -1.905 214 1HG MET 29 HG2 MET 29 11.666 -1.370 -0.508 215 2HG MET 29 HG3 MET 29 10.667 -2.813 -0.157 216 1HE MET 29 HE2 MET 29 9.687 -4.427 -2.012 217 2HE MET 29 HE3 MET 29 9.064 -3.120 -3.080 218 3HE MET 29 HE1 MET 29 10.126 -4.397 -3.754 219 H ASN 30 HN ASN 30 11.102 0.631 -1.154 220 HA ASN 30 HA ASN 30 11.544 2.965 0.477 221 1HB ASN 30 HB2 ASN 30 13.420 3.466 -1.158 222 2HB ASN 30 HB3 ASN 30 13.532 1.965 -0.202 223 1HD2 ASN 30 HD22 ASN 30 13.420 1.748 -4.307 224 2HD2 ASN 30 HD21 ASN 30 13.271 3.262 -3.478 225 H LYS 31 HN LYS 31 10.022 2.300 -2.656 226 HA LYS 31 HA LYS 31 9.336 5.141 -2.969 227 1HB LYS 31 HB2 LYS 31 10.917 3.359 -4.870 228 2HB LYS 31 HB3 LYS 31 10.053 4.777 -5.509 229 1HG LYS 31 HG2 LYS 31 12.196 4.870 -3.361 230 2HG LYS 31 HG3 LYS 31 12.444 5.235 -5.105 231 1HD LYS 31 HD2 LYS 31 10.557 6.835 -3.249 232 2HD LYS 31 HD3 LYS 31 12.292 7.195 -3.495 233 1HE LYS 31 HE2 LYS 31 11.106 8.711 -4.925 234 2HE LYS 31 HE3 LYS 31 11.874 7.475 -5.999 235 1HZ LYS 31 HZ1 LYS 31 9.029 7.537 -5.119 236 2HZ LYS 31 HZ2 LYS 31 9.632 7.982 -6.643 237 3HZ LYS 31 HZ3 LYS 31 9.739 6.368 -6.126 238 H LYS 32 HN LYS 32 7.899 1.962 -2.979 239 HA LYS 32 HA LYS 32 5.773 3.138 -4.581 240 1HB LYS 32 HB2 LYS 32 5.503 1.467 -6.104 241 2HB LYS 32 HB3 LYS 32 7.217 1.945 -6.230 242 1HG LYS 32 HG2 LYS 32 7.880 -0.078 -4.841 243 2HG LYS 32 HG3 LYS 32 6.154 -0.587 -4.830 244 1HD LYS 32 HD2 LYS 32 6.266 -0.357 -7.418 245 2HD LYS 32 HD3 LYS 32 8.054 -0.315 -7.210 246 1HE LYS 32 HE2 LYS 32 7.258 -2.640 -7.770 247 2HE LYS 32 HE3 LYS 32 7.909 -2.626 -6.085 248 1HZ LYS 32 HZ1 LYS 32 5.042 -2.343 -6.830 249 2HZ LYS 32 HZ2 LYS 32 5.781 -3.781 -6.304 250 3HZ LYS 32 HZ3 LYS 32 5.677 -2.441 -5.264 251 1HN ABA 33 HN ABA 33 3.696 2.141 -4.311 252 HA ABA 33 HA ABA 33 3.247 1.350 -1.631 253 1HB ABA 33 HB3 ABA 33 1.381 1.691 -4.016 254 2HB ABA 33 HB2 ABA 33 1.874 2.936 -2.813 255 1HG ABA 33 HG1 ABA 33 0.179 0.446 -2.164 256 2HG ABA 33 HG2 ABA 33 0.896 1.572 -0.979 257 3HG ABA 33 HG3 ABA 33 -0.314 2.179 -2.181 258 H ARG 34 HN ARG 34 2.587 -0.623 -0.855 259 HA ARG 34 HA ARG 34 2.238 -2.943 -2.616 260 1HB ARG 34 HB2 ARG 34 4.046 -2.636 -0.141 261 2HB ARG 34 HB3 ARG 34 3.415 -4.245 -0.617 262 1HG ARG 34 HG2 ARG 34 5.102 -2.456 -2.462 263 2HG ARG 34 HG3 ARG 34 5.775 -3.722 -1.391 264 1HD ARG 34 HD2 ARG 34 3.695 -4.261 -3.628 265 2HD ARG 34 HD3 ARG 34 5.467 -4.498 -3.799 266 HE ARG 34 HE ARG 34 3.594 -6.000 -1.929 267 1HH1 ARG 34 HH12 ARG 34 6.801 -5.856 -3.547 268 2HH1 ARG 34 HH11 ARG 34 7.283 -7.413 -2.962 269 1HH2 ARG 34 HH22 ARG 34 4.295 -8.063 -1.166 270 2HH2 ARG 34 HH21 ARG 34 5.855 -8.673 -1.604 271 H CYS 35 HN CYS 35 1.233 -4.727 -1.002 272 HA CYS 35 HA CYS 35 -0.225 -3.598 1.110 273 1HB CYS 35 HB2 CYS 35 -1.760 -3.230 -0.976 274 2HB CYS 35 HB3 CYS 35 -2.084 -4.974 -0.908 275 H TYR 36 HN TYR 36 -0.738 -5.110 2.576 276 HA TYR 36 HA TYR 36 0.702 -7.677 2.331 277 1HB TYR 36 HB2 TYR 36 0.922 -5.299 4.263 278 2HB TYR 36 HB3 TYR 36 1.561 -6.904 4.767 279 HD1 TYR 36 HD1 TYR 36 2.923 -7.834 2.245 280 HD2 TYR 36 HD2 TYR 36 2.722 -3.943 4.059 281 HE1 TYR 36 HE1 TYR 36 5.029 -7.205 1.135 282 HE2 TYR 36 HE2 TYR 36 4.822 -3.307 2.944 283 HH TYR 36 HH TYR 36 6.551 -5.582 0.763 284 H SER 37 HN SER 37 -1.670 -8.161 1.932 285 HA SER 37 HA SER 37 -3.582 -7.747 3.958 286 1HB SER 37 HB2 SER 37 -3.613 -9.697 1.582 287 2HB SER 37 HB3 SER 37 -5.041 -9.190 2.565 288 HG SER 37 HG SER 37 -4.601 -7.056 1.887 No H/Q in entry = 288 Start of MODEL 13 1 HA PCA 1 HA PGL 1 -4.185 -7.936 -4.304 2 1HB PCA 1 HB2 PGL 1 -1.674 -9.701 -4.527 3 2HB PCA 1 HB3 PGL 1 -3.136 -9.941 -3.497 4 1HG PCA 1 HG2 PGL 1 -2.632 -11.263 -5.935 5 2HG PCA 1 HG3 PGL 1 -4.321 -10.923 -5.340 6 HN PCA 1 HN PGL 1 -3.639 -7.344 -6.734 7 H PHE 2 HN PHE 2 -2.210 -6.369 -6.364 8 HA PHE 2 HA PHE 2 -0.230 -5.380 -4.417 9 1HB PHE 2 HB2 PHE 2 0.136 -5.914 -7.456 10 2HB PHE 2 HB3 PHE 2 1.402 -5.349 -6.299 11 HD1 PHE 2 HD1 PHE 2 1.670 -6.959 -4.146 12 HD2 PHE 2 HD2 PHE 2 0.073 -8.166 -7.954 13 HE1 PHE 2 HE1 PHE 2 2.165 -9.321 -3.610 14 HE2 PHE 2 HE2 PHE 2 0.579 -10.524 -7.418 15 HZ PHE 2 HZ PHE 2 1.623 -11.108 -5.244 16 H THR 3 HN THR 3 0.564 -3.211 -4.907 17 HA THR 3 HA THR 3 -1.067 -1.577 -6.721 18 HB THR 3 HB THR 3 -0.557 0.349 -5.077 19 HG1 THR 3 HG1 THR 3 0.206 -0.109 -3.247 20 1HG2 THR 3 HG23 THR 3 -2.519 -1.899 -4.292 21 2HG2 THR 3 HG21 THR 3 -2.530 -0.229 -3.635 22 3HG2 THR 3 HG22 THR 3 -2.820 -0.489 -5.394 23 H ASN 4 HN ASN 4 0.237 0.260 -7.554 24 HA ASN 4 HA ASN 4 3.117 -0.039 -7.458 25 1HB ASN 4 HB2 ASN 4 3.230 -0.077 -10.010 26 2HB ASN 4 HB3 ASN 4 2.700 -1.602 -9.258 27 1HD2 ASN 4 HD22 ASN 4 -0.583 -1.637 -10.668 28 2HD2 ASN 4 HD21 ASN 4 0.439 -2.259 -9.416 29 H VAL 5 HN VAL 5 1.739 1.812 -6.157 30 HA VAL 5 HA VAL 5 1.828 4.281 -7.735 31 HB VAL 5 HB VAL 5 1.239 4.199 -4.749 32 1HG1 VAL 5 HG13 VAL 5 0.128 5.807 -7.156 33 2HG1 VAL 5 HG11 VAL 5 -0.350 6.013 -5.429 34 3HG1 VAL 5 HG12 VAL 5 1.316 6.420 -5.940 35 1HG2 VAL 5 HG21 VAL 5 -0.645 3.185 -6.962 36 2HG2 VAL 5 HG22 VAL 5 -0.072 2.335 -5.464 37 3HG2 VAL 5 HG23 VAL 5 -1.171 3.754 -5.341 38 H SER 6 HN SER 6 2.928 6.087 -5.953 39 HA SER 6 HA SER 6 5.596 5.035 -5.240 40 1HB SER 6 HB2 SER 6 6.387 7.454 -5.416 41 2HB SER 6 HB3 SER 6 6.035 6.575 -6.931 42 HG SER 6 HG SER 6 3.996 7.599 -6.962 43 H CYS 7 HN CYS 7 6.181 5.133 -3.192 44 HA CYS 7 HA CYS 7 4.241 6.319 -1.271 45 1HB CYS 7 HB2 CYS 7 4.702 4.812 0.344 46 2HB CYS 7 HB3 CYS 7 4.651 3.885 -1.143 47 H THR 8 HN THR 8 5.121 7.185 0.776 48 HA THR 8 HA THR 8 7.871 8.169 0.728 49 HB THR 8 HB THR 8 7.116 10.255 1.975 50 HG1 THR 8 HG1 THR 8 4.653 9.582 0.725 51 1HG2 THR 8 HG23 THR 8 7.987 10.254 -0.368 52 2HG2 THR 8 HG21 THR 8 6.315 10.002 -0.997 53 3HG2 THR 8 HG22 THR 8 6.731 11.516 -0.113 54 H THR 9 HN THR 9 4.832 7.620 2.589 55 HA THR 9 HA THR 9 6.398 6.595 4.868 56 HB THR 9 HB THR 9 4.522 7.474 6.326 57 HG1 THR 9 HG1 THR 9 3.334 9.171 5.453 58 1HG2 THR 9 HG22 THR 9 6.758 8.582 6.105 59 2HG2 THR 9 HG23 THR 9 6.125 9.587 4.746 60 3HG2 THR 9 HG21 THR 9 5.422 9.756 6.397 61 H SER 10 HN SER 10 5.367 4.983 6.121 62 HA SER 10 HA SER 10 3.264 3.396 4.870 63 1HB SER 10 HB2 SER 10 3.732 1.740 6.724 64 2HB SER 10 HB3 SER 10 5.067 2.020 5.559 65 HG SER 10 HG SER 10 6.003 3.431 7.044 66 H LYS 11 HN LYS 11 1.684 4.977 5.046 67 HA LYS 11 HA LYS 11 -0.042 4.723 7.172 68 1HB LYS 11 HB2 LYS 11 1.532 6.533 8.260 69 2HB LYS 11 HB3 LYS 11 0.902 7.653 7.022 70 1HG LYS 11 HG2 LYS 11 -1.494 6.776 7.924 71 2HG LYS 11 HG3 LYS 11 -0.539 6.237 9.337 72 1HD LYS 11 HD2 LYS 11 -0.745 9.107 8.206 73 2HD LYS 11 HD3 LYS 11 -1.654 8.454 9.614 74 1HE LYS 11 HE2 LYS 11 0.523 8.114 10.858 75 2HE LYS 11 HE3 LYS 11 1.416 8.850 9.461 76 1HZ LYS 11 HZ2 LYS 11 0.090 10.844 9.763 77 2HZ LYS 11 HZ3 LYS 11 -0.699 10.150 11.095 78 3HZ LYS 11 HZ1 LYS 11 0.970 10.455 11.163 79 H GLU 12 HN GLU 12 1.213 6.634 4.411 80 HA GLU 12 HA GLU 12 -0.932 7.672 3.240 81 1HB GLU 12 HB2 GLU 12 1.661 7.745 2.922 82 2HB GLU 12 HB3 GLU 12 1.481 6.409 1.782 83 1HG GLU 12 HG2 GLU 12 -0.181 7.901 0.451 84 2HG GLU 12 HG3 GLU 12 0.191 9.210 1.641 85 1HN ABA 13 HN ABA 13 0.047 4.342 3.200 86 HA ABA 13 HA ABA 13 -1.072 3.637 0.647 87 1HB ABA 13 HB3 ABA 13 0.120 1.562 0.943 88 2HB ABA 13 HB2 ABA 13 0.326 1.843 2.713 89 1HG ABA 13 HG1 ABA 13 1.629 3.588 0.518 90 2HG ABA 13 HG2 ABA 13 1.875 3.722 2.311 91 3HG ABA 13 HG3 ABA 13 2.384 2.234 1.434 92 H TRP 14 HN TRP 14 -2.502 3.897 3.606 93 HA TRP 14 HA TRP 14 -4.039 1.479 3.806 94 1HB TRP 14 HB2 TRP 14 -3.629 4.082 5.316 95 2HB TRP 14 HB3 TRP 14 -5.172 3.222 5.625 96 HD1 TRP 14 HD1 TRP 14 -5.258 1.286 7.122 97 HE1 TRP 14 HE1 TRP 14 -3.613 -0.278 8.239 98 HE3 TRP 14 HE3 TRP 14 -0.951 3.042 5.045 99 HZ2 TRP 14 HZ2 TRP 14 -0.767 -0.516 8.549 100 HZ3 TRP 14 HZ3 TRP 14 1.189 2.026 5.702 101 HH2 TRP 14 HH2 TRP 14 1.298 0.317 7.473 102 H SER 15 HN SER 15 -4.532 4.701 2.320 103 HA SER 15 HA SER 15 -7.344 4.189 1.840 104 1HB SER 15 HB2 SER 15 -7.291 6.492 0.799 105 2HB SER 15 HB3 SER 15 -6.838 6.432 2.532 106 HG SER 15 HG SER 15 -5.471 7.733 1.309 107 H VAL 16 HN VAL 16 -4.354 3.266 0.447 108 HA VAL 16 HA VAL 16 -5.329 3.310 -2.297 109 HB VAL 16 HB VAL 16 -2.617 2.361 -1.241 110 1HG1 VAL 16 HG11 VAL 16 -3.294 1.642 -3.607 111 2HG1 VAL 16 HG12 VAL 16 -3.561 3.370 -4.021 112 3HG1 VAL 16 HG13 VAL 16 -1.914 2.785 -3.574 113 1HG2 VAL 16 HG22 VAL 16 -3.528 5.171 -2.148 114 2HG2 VAL 16 HG23 VAL 16 -2.929 4.706 -0.509 115 3HG2 VAL 16 HG21 VAL 16 -1.818 4.652 -1.916 116 H CYS 17 HN CYS 17 -4.726 1.036 0.462 117 HA CYS 17 HA CYS 17 -5.209 -1.316 -1.160 118 1HB CYS 17 HB2 CYS 17 -4.619 -0.653 1.777 119 2HB CYS 17 HB3 CYS 17 -5.192 -2.293 1.374 120 H GLN 18 HN GLN 18 -7.162 1.047 0.546 121 HA GLN 18 HA GLN 18 -9.332 -0.700 1.176 122 1HB GLN 18 HB2 GLN 18 -8.386 1.119 2.612 123 2HB GLN 18 HB3 GLN 18 -8.988 2.345 1.447 124 1HG GLN 18 HG2 GLN 18 -11.346 1.428 1.883 125 2HG GLN 18 HG3 GLN 18 -10.606 0.276 3.074 126 1HE2 GLN 18 HE22 GLN 18 -9.575 3.040 5.346 127 2HE2 GLN 18 HE21 GLN 18 -8.912 1.612 4.626 128 H ARG 19 HN ARG 19 -8.433 1.771 -1.255 129 HA ARG 19 HA ARG 19 -11.065 1.926 -2.394 130 1HB ARG 19 HB2 ARG 19 -10.530 3.832 -3.307 131 2HB ARG 19 HB3 ARG 19 -9.255 3.779 -2.070 132 1HG ARG 19 HG2 ARG 19 -8.165 4.606 -3.901 133 2HG ARG 19 HG3 ARG 19 -7.636 2.898 -3.863 134 1HD ARG 19 HD2 ARG 19 -8.107 3.801 -6.213 135 2HD ARG 19 HD3 ARG 19 -9.132 2.390 -5.786 136 HE ARG 19 HE ARG 19 -11.064 3.720 -5.628 137 1HH1 ARG 19 HH12 ARG 19 -8.260 5.802 -6.405 138 2HH1 ARG 19 HH11 ARG 19 -9.241 7.139 -6.908 139 1HH2 ARG 19 HH22 ARG 19 -12.342 5.520 -6.307 140 2HH2 ARG 19 HH21 ARG 19 -11.583 6.977 -6.851 141 H LEU 20 HN LEU 20 -8.167 0.026 -2.991 142 HA LEU 20 HA LEU 20 -8.959 -0.770 -5.650 143 1HB LEU 20 HB2 LEU 20 -6.617 -0.213 -5.208 144 2HB LEU 20 HB3 LEU 20 -6.551 -1.402 -3.874 145 HG LEU 20 HG LEU 20 -6.856 -3.253 -5.433 146 1HD1 LEU 20 HD12 LEU 20 -8.222 -2.213 -7.258 147 2HD1 LEU 20 HD13 LEU 20 -6.828 -1.165 -7.722 148 3HD1 LEU 20 HD11 LEU 20 -6.730 -2.954 -7.931 149 1HD2 LEU 20 HD21 LEU 20 -4.574 -2.512 -4.907 150 2HD2 LEU 20 HD22 LEU 20 -4.668 -3.185 -6.576 151 3HD2 LEU 20 HD23 LEU 20 -4.579 -1.402 -6.334 152 H HIS 21 HN HIS 21 -8.589 -2.189 -2.306 153 HA HIS 21 HA HIS 21 -10.124 -4.549 -3.172 154 1HB HIS 21 HB2 HIS 21 -7.777 -4.362 -1.197 155 2HB HIS 21 HB3 HIS 21 -8.774 -5.835 -1.502 156 HD1 HIS 21 HD1 HIS 21 -8.488 -6.832 -4.046 157 HD2 HIS 21 HD2 HIS 21 -5.644 -3.972 -2.878 158 HE1 HIS 21 HE1 HIS 21 -6.468 -7.034 -5.599 159 H ASN 22 HN ASN 22 -9.251 -4.444 0.047 160 HA ASN 22 HA ASN 22 -11.033 -2.735 1.258 161 1HB ASN 22 HB2 ASN 22 -12.807 -4.277 2.164 162 2HB ASN 22 HB3 ASN 22 -12.983 -3.936 0.428 163 1HD2 ASN 22 HD22 ASN 22 -12.398 -7.322 -0.682 164 2HD2 ASN 22 HD21 ASN 22 -12.238 -5.661 -1.148 165 H THR 23 HN THR 23 -8.653 -2.775 1.896 166 HA THR 23 HA THR 23 -8.325 -4.418 4.258 167 HB THR 23 HB THR 23 -7.302 -6.032 3.091 168 HG1 THR 23 HG1 THR 23 -5.176 -4.199 3.336 169 1HG2 THR 23 HG22 THR 23 -6.199 -4.032 1.040 170 2HG2 THR 23 HG23 THR 23 -5.839 -5.799 1.120 171 3HG2 THR 23 HG21 THR 23 -7.522 -5.243 0.814 172 H SER 24 HN SER 24 -6.593 -3.708 5.582 173 HA SER 24 HA SER 24 -5.735 -0.953 5.354 174 1HB SER 24 HB2 SER 24 -6.544 -0.488 7.728 175 2HB SER 24 HB3 SER 24 -7.831 -0.573 6.488 176 HG SER 24 HG SER 24 -8.363 -1.690 8.355 177 H ARG 25 HN ARG 25 -4.554 -3.608 4.937 178 HA ARG 25 HA ARG 25 -2.388 -3.350 6.826 179 1HB ARG 25 HB2 ARG 25 -1.956 -5.845 6.722 180 2HB ARG 25 HB3 ARG 25 -3.230 -5.289 7.838 181 1HG ARG 25 HG2 ARG 25 -3.972 -6.320 5.063 182 2HG ARG 25 HG3 ARG 25 -3.633 -7.433 6.416 183 1HD ARG 25 HD2 ARG 25 -5.444 -6.742 7.736 184 2HD ARG 25 HD3 ARG 25 -5.618 -5.164 6.869 185 HE ARG 25 HE ARG 25 -6.181 -6.793 4.796 186 1HH1 ARG 25 HH12 ARG 25 -7.444 -6.808 8.152 187 2HH1 ARG 25 HH11 ARG 25 -9.013 -7.376 7.685 188 1HH2 ARG 25 HH22 ARG 25 -8.252 -7.636 4.225 189 2HH2 ARG 25 HH21 ARG 25 -9.479 -7.852 5.431 190 H GLY 26 HN GLY 26 -0.898 -2.543 5.501 191 1HA GLY 26 HA1 GLY 26 0.028 -3.529 3.131 192 2HA GLY 26 HA2 GLY 26 -1.322 -2.367 2.746 193 H LYS 27 HN LYS 27 1.896 -2.428 2.832 194 HA LYS 27 HA LYS 27 2.335 0.093 4.278 195 1HB LYS 27 HB2 LYS 27 4.199 -2.371 4.197 196 2HB LYS 27 HB3 LYS 27 4.518 -0.809 5.038 197 1HG LYS 27 HG2 LYS 27 2.635 -1.263 6.592 198 2HG LYS 27 HG3 LYS 27 2.287 -2.811 5.741 199 1HD LYS 27 HD2 LYS 27 4.574 -3.641 6.274 200 2HD LYS 27 HD3 LYS 27 4.918 -2.118 7.174 201 1HE LYS 27 HE2 LYS 27 3.063 -2.648 8.794 202 2HE LYS 27 HE3 LYS 27 2.688 -4.161 7.869 203 1HZ LYS 27 HZ1 LYS 27 4.904 -4.941 8.349 204 2HZ LYS 27 HZ2 LYS 27 5.262 -3.526 9.217 205 3HZ LYS 27 HZ3 LYS 27 4.057 -4.584 9.778 206 H CYS 28 HN CYS 28 5.239 -0.364 3.301 207 HA CYS 28 HA CYS 28 5.025 -0.329 0.455 208 1HB CYS 28 HB2 CYS 28 4.916 2.024 0.085 209 2HB CYS 28 HB3 CYS 28 4.370 2.092 1.743 210 H MET 29 HN MET 29 7.306 0.486 -0.403 211 HA MET 29 HA MET 29 9.265 -1.124 1.078 212 1HB MET 29 HB2 MET 29 8.295 -1.851 -1.232 213 2HB MET 29 HB3 MET 29 9.311 -0.566 -1.931 214 1HG MET 29 HG2 MET 29 11.305 -1.715 -0.700 215 2HG MET 29 HG3 MET 29 10.140 -2.975 -0.184 216 1HE MET 29 HE2 MET 29 11.868 -4.670 -1.107 217 2HE MET 29 HE3 MET 29 12.506 -4.708 -2.786 218 3HE MET 29 HE1 MET 29 12.929 -3.344 -1.696 219 H ASN 30 HN ASN 30 11.071 0.250 -1.155 220 HA ASN 30 HA ASN 30 11.848 2.525 0.421 221 1HB ASN 30 HB2 ASN 30 13.749 2.688 -1.322 222 2HB ASN 30 HB3 ASN 30 13.685 1.288 -0.224 223 1HD2 ASN 30 HD22 ASN 30 13.701 -1.111 -2.777 224 2HD2 ASN 30 HD21 ASN 30 13.976 -0.683 -1.119 225 H LYS 31 HN LYS 31 10.209 2.040 -2.683 226 HA LYS 31 HA LYS 31 9.964 4.969 -3.031 227 1HB LYS 31 HB2 LYS 31 10.763 2.840 -5.092 228 2HB LYS 31 HB3 LYS 31 10.269 4.508 -5.533 229 1HG LYS 31 HG2 LYS 31 12.134 5.503 -4.361 230 2HG LYS 31 HG3 LYS 31 12.656 3.905 -3.737 231 1HD LYS 31 HD2 LYS 31 14.121 4.438 -5.499 232 2HD LYS 31 HD3 LYS 31 13.080 3.104 -6.087 233 1HE LYS 31 HE2 LYS 31 12.605 6.098 -6.778 234 2HE LYS 31 HE3 LYS 31 13.650 4.998 -7.762 235 1HZ LYS 31 HZ3 LYS 31 11.762 3.582 -8.130 236 2HZ LYS 31 HZ1 LYS 31 10.764 4.601 -7.209 237 3HZ LYS 31 HZ2 LYS 31 11.455 5.168 -8.653 238 H LYS 32 HN LYS 32 8.062 2.035 -2.697 239 HA LYS 32 HA LYS 32 6.012 3.135 -4.457 240 1HB LYS 32 HB2 LYS 32 5.702 1.251 -5.762 241 2HB LYS 32 HB3 LYS 32 7.400 1.763 -5.939 242 1HG LYS 32 HG2 LYS 32 8.011 -0.033 -4.151 243 2HG LYS 32 HG3 LYS 32 6.348 -0.690 -4.410 244 1HD LYS 32 HD2 LYS 32 6.837 -0.890 -6.856 245 2HD LYS 32 HD3 LYS 32 8.482 -0.222 -6.566 246 1HE LYS 32 HE2 LYS 32 9.013 -2.185 -5.055 247 2HE LYS 32 HE3 LYS 32 7.379 -2.884 -5.401 248 1HZ LYS 32 HZ2 LYS 32 7.990 -2.963 -7.735 249 2HZ LYS 32 HZ3 LYS 32 9.529 -2.334 -7.380 250 3HZ LYS 32 HZ1 LYS 32 9.070 -3.851 -6.769 251 1HN ABA 33 HN ABA 33 3.929 2.108 -4.167 252 HA ABA 33 HA ABA 33 3.429 1.535 -1.377 253 1HB ABA 33 HB3 ABA 33 1.686 2.199 -3.816 254 2HB ABA 33 HB2 ABA 33 2.266 3.332 -2.539 255 1HG ABA 33 HG1 ABA 33 0.016 2.879 -1.969 256 2HG ABA 33 HG2 ABA 33 0.213 1.087 -2.137 257 3HG ABA 33 HG3 ABA 33 1.088 1.967 -0.832 258 H ARG 34 HN ARG 34 2.437 -0.398 -0.690 259 HA ARG 34 HA ARG 34 2.075 -2.547 -2.639 260 1HB ARG 34 HB2 ARG 34 4.454 -2.428 -1.201 261 2HB ARG 34 HB3 ARG 34 3.462 -3.437 -0.118 262 1HG ARG 34 HG2 ARG 34 2.844 -4.771 -2.334 263 2HG ARG 34 HG3 ARG 34 4.223 -3.884 -3.066 264 1HD ARG 34 HD2 ARG 34 4.299 -5.802 -0.631 265 2HD ARG 34 HD3 ARG 34 4.930 -6.128 -2.308 266 HE ARG 34 HE ARG 34 6.108 -3.712 -1.083 267 1HH1 ARG 34 HH22 ARG 34 6.311 -7.268 -1.239 268 2HH1 ARG 34 HH21 ARG 34 7.912 -7.353 -0.581 269 1HH2 ARG 34 HH12 ARG 34 8.259 -3.833 -0.172 270 2HH2 ARG 34 HH11 ARG 34 9.034 -5.368 0.033 271 H CYS 35 HN CYS 35 1.250 -4.542 -1.094 272 HA CYS 35 HA CYS 35 -0.626 -3.613 0.856 273 1HB CYS 35 HB2 CYS 35 -1.659 -3.547 -1.644 274 2HB CYS 35 HB3 CYS 35 -1.858 -5.296 -1.382 275 H TYR 36 HN TYR 36 -1.409 -5.447 2.062 276 HA TYR 36 HA TYR 36 0.340 -7.812 1.946 277 1HB TYR 36 HB2 TYR 36 0.342 -5.529 3.965 278 2HB TYR 36 HB3 TYR 36 0.711 -7.189 4.586 279 HD1 TYR 36 HD2 TYR 36 2.380 -8.532 2.914 280 HD2 TYR 36 HD1 TYR 36 2.247 -4.289 3.517 281 HE1 TYR 36 HE2 TYR 36 4.797 -8.382 2.382 282 HE2 TYR 36 HE1 TYR 36 4.655 -4.119 2.937 283 HH TYR 36 HH TYR 36 6.532 -5.241 2.481 284 H SER 37 HN SER 37 -2.026 -8.112 1.144 285 HA SER 37 HA SER 37 -3.651 -9.478 1.273 286 1HB SER 37 HB2 SER 37 -2.425 -10.543 3.874 287 2HB SER 37 HB3 SER 37 -3.700 -11.365 2.895 288 HG SER 37 HG SER 37 -1.607 -12.090 2.451 No H/Q in entry = 288 Start of MODEL 14 1 HA PCA 1 HA PGL 1 4.374 -4.509 -5.268 2 1HB PCA 1 HB2 PGL 1 4.501 -5.633 -8.020 3 2HB PCA 1 HB3 PGL 1 5.465 -4.317 -7.269 4 1HG PCA 1 HG2 PGL 1 6.242 -7.139 -7.751 5 2HG PCA 1 HG3 PGL 1 7.276 -5.755 -7.176 6 HN PCA 1 HN PGL 1 4.811 -6.613 -4.073 7 H PHE 2 HN PHE 2 2.260 -4.412 -4.678 8 HA PHE 2 HA PHE 2 0.332 -6.337 -5.769 9 1HB PHE 2 HB2 PHE 2 0.386 -4.873 -3.073 10 2HB PHE 2 HB3 PHE 2 -1.078 -5.719 -3.700 11 HD1 PHE 2 HD2 PHE 2 2.420 -6.224 -2.491 12 HD2 PHE 2 HD1 PHE 2 -1.241 -8.092 -3.746 13 HE1 PHE 2 HE2 PHE 2 3.217 -8.386 -1.597 14 HE2 PHE 2 HE1 PHE 2 -0.445 -10.254 -2.847 15 HZ PHE 2 HZ PHE 2 1.785 -10.406 -1.770 16 H THR 3 HN THR 3 1.315 -3.127 -5.276 17 HA THR 3 HA THR 3 -0.769 -2.142 -7.101 18 HB THR 3 HB THR 3 -1.353 -0.244 -6.017 19 HG1 THR 3 HG1 THR 3 0.505 -0.321 -3.962 20 1HG2 THR 3 HG21 THR 3 -2.152 -2.275 -4.664 21 2HG2 THR 3 HG22 THR 3 -0.730 -2.060 -3.576 22 3HG2 THR 3 HG23 THR 3 -1.979 -0.776 -3.671 23 H ASN 4 HN ASN 4 0.207 0.277 -7.838 24 HA ASN 4 HA ASN 4 3.077 0.220 -8.081 25 1HB ASN 4 HB2 ASN 4 2.962 0.534 -10.602 26 2HB ASN 4 HB3 ASN 4 2.595 -1.119 -10.043 27 1HD2 ASN 4 HD22 ASN 4 -0.140 0.919 -12.298 28 2HD2 ASN 4 HD21 ASN 4 1.424 1.560 -11.917 29 H VAL 5 HN VAL 5 1.604 1.754 -6.425 30 HA VAL 5 HA VAL 5 1.474 4.415 -7.681 31 HB VAL 5 HB VAL 5 0.722 3.841 -4.787 32 1HG1 VAL 5 HG12 VAL 5 -0.250 5.823 -6.966 33 2HG1 VAL 5 HG13 VAL 5 -0.925 5.681 -5.300 34 3HG1 VAL 5 HG11 VAL 5 0.760 6.241 -5.530 35 1HG2 VAL 5 HG21 VAL 5 -0.943 3.224 -7.303 36 2HG2 VAL 5 HG22 VAL 5 -0.461 2.103 -5.965 37 3HG2 VAL 5 HG23 VAL 5 -1.622 3.433 -5.649 38 H SER 6 HN SER 6 2.328 6.000 -5.578 39 HA SER 6 HA SER 6 5.085 5.127 -4.984 40 1HB SER 6 HB2 SER 6 5.658 7.603 -4.853 41 2HB SER 6 HB3 SER 6 5.338 6.916 -6.472 42 HG SER 6 HG SER 6 4.324 8.904 -6.145 43 H CYS 7 HN CYS 7 5.697 5.033 -2.974 44 HA CYS 7 HA CYS 7 4.061 6.343 -0.836 45 1HB CYS 7 HB2 CYS 7 3.106 4.283 -0.801 46 2HB CYS 7 HB3 CYS 7 4.598 3.396 -0.987 47 H THR 8 HN THR 8 5.162 6.875 0.992 48 HA THR 8 HA THR 8 8.098 6.728 1.012 49 HB THR 8 HB THR 8 8.070 9.008 2.143 50 HG1 THR 8 HG1 THR 8 6.317 10.307 1.570 51 1HG2 THR 8 HG23 THR 8 8.850 8.592 -0.207 52 2HG2 THR 8 HG21 THR 8 7.174 8.866 -0.815 53 3HG2 THR 8 HG22 THR 8 8.074 10.206 -0.016 54 H THR 9 HN THR 9 5.085 7.307 2.937 55 HA THR 9 HA THR 9 6.332 6.008 5.279 56 HB THR 9 HB THR 9 4.666 7.384 6.632 57 HG1 THR 9 HG1 THR 9 4.007 9.285 5.620 58 1HG2 THR 9 HG22 THR 9 7.111 7.863 6.483 59 2HG2 THR 9 HG23 THR 9 6.826 8.895 5.028 60 3HG2 THR 9 HG21 THR 9 6.122 9.365 6.621 61 H SER 10 HN SER 10 5.152 4.532 6.435 62 HA SER 10 HA SER 10 3.016 3.153 5.045 63 1HB SER 10 HB2 SER 10 3.445 1.353 6.784 64 2HB SER 10 HB3 SER 10 4.834 1.765 5.726 65 HG SER 10 HG SER 10 4.431 2.745 8.346 66 H LYS 11 HN LYS 11 1.588 4.977 5.376 67 HA LYS 11 HA LYS 11 -0.309 4.705 7.389 68 1HB LYS 11 HB2 LYS 11 1.796 6.835 7.821 69 2HB LYS 11 HB3 LYS 11 0.119 7.427 8.003 70 1HG LYS 11 HG2 LYS 11 1.016 4.965 9.575 71 2HG LYS 11 HG3 LYS 11 1.428 6.632 10.077 72 1HD LYS 11 HD2 LYS 11 -0.521 6.000 11.293 73 2HD LYS 11 HD3 LYS 11 -0.970 7.273 10.114 74 1HE LYS 11 HE2 LYS 11 -2.749 5.553 10.284 75 2HE LYS 11 HE3 LYS 11 -2.024 5.494 8.632 76 1HZ LYS 11 HZ1 LYS 11 -0.671 3.632 9.372 77 2HZ LYS 11 HZ2 LYS 11 -1.392 3.691 10.910 78 3HZ LYS 11 HZ3 LYS 11 -2.333 3.319 9.546 79 H GLU 12 HN GLU 12 1.361 6.762 4.943 80 HA GLU 12 HA GLU 12 -0.712 8.294 4.118 81 1HB GLU 12 HB2 GLU 12 1.912 8.259 3.888 82 2HB GLU 12 HB3 GLU 12 1.641 7.547 2.293 83 1HG GLU 12 HG2 GLU 12 0.457 10.210 3.367 84 2HG GLU 12 HG3 GLU 12 1.964 10.076 2.393 85 1HN ABA 13 HN ABA 13 0.347 5.141 2.765 86 HA ABA 13 HA ABA 13 -1.497 5.323 0.485 87 1HB ABA 13 HB3 ABA 13 0.903 4.945 0.082 88 2HB ABA 13 HB2 ABA 13 -0.133 3.644 -0.534 89 1HG ABA 13 HG1 ABA 13 1.939 2.807 0.502 90 2HG ABA 13 HG2 ABA 13 1.521 3.578 2.082 91 3HG ABA 13 HG3 ABA 13 0.541 2.189 1.444 92 H TRP 14 HN TRP 14 -2.434 4.745 3.271 93 HA TRP 14 HA TRP 14 -3.277 1.982 3.197 94 1HB TRP 14 HB2 TRP 14 -3.579 4.242 5.257 95 2HB TRP 14 HB3 TRP 14 -4.347 2.631 5.470 96 HD1 TRP 14 HD1 TRP 14 -0.607 3.042 4.212 97 HE1 TRP 14 HE1 TRP 14 0.724 1.424 5.593 98 HE3 TRP 14 HE3 TRP 14 -4.139 1.988 7.765 99 HZ2 TRP 14 HZ2 TRP 14 0.391 -0.133 7.958 100 HZ3 TRP 14 HZ3 TRP 14 -3.581 0.343 9.527 101 HH2 TRP 14 HH2 TRP 14 -1.365 -0.765 9.555 102 H SER 15 HN SER 15 -4.693 5.145 2.319 103 HA SER 15 HA SER 15 -7.324 4.003 1.928 104 1HB SER 15 HB2 SER 15 -7.932 6.349 1.225 105 2HB SER 15 HB3 SER 15 -7.314 6.206 2.901 106 HG SER 15 HG SER 15 -5.281 6.860 2.136 107 H VAL 16 HN VAL 16 -4.564 3.453 0.417 108 HA VAL 16 HA VAL 16 -5.552 3.613 -2.349 109 HB VAL 16 HB VAL 16 -2.835 2.752 -1.232 110 1HG1 VAL 16 HG13 VAL 16 -3.828 3.056 -4.148 111 2HG1 VAL 16 HG11 VAL 16 -2.110 2.848 -3.631 112 3HG1 VAL 16 HG12 VAL 16 -3.281 1.526 -3.349 113 1HG2 VAL 16 HG21 VAL 16 -3.757 5.304 -2.709 114 2HG2 VAL 16 HG22 VAL 16 -3.253 5.205 -0.982 115 3HG2 VAL 16 HG23 VAL 16 -2.055 4.891 -2.284 116 H CYS 17 HN CYS 17 -4.364 1.195 0.103 117 HA CYS 17 HA CYS 17 -5.189 -1.029 -1.436 118 1HB CYS 17 HB2 CYS 17 -4.166 -0.516 1.375 119 2HB CYS 17 HB3 CYS 17 -4.908 -2.109 1.108 120 H GLN 18 HN GLN 18 -7.227 1.052 0.505 121 HA GLN 18 HA GLN 18 -9.187 -0.985 1.162 122 1HB GLN 18 HB2 GLN 18 -9.209 2.062 1.503 123 2HB GLN 18 HB3 GLN 18 -10.543 0.955 2.031 124 1HG GLN 18 HG2 GLN 18 -9.049 -0.206 3.592 125 2HG GLN 18 HG3 GLN 18 -7.658 0.793 3.039 126 1HE2 GLN 18 HE22 GLN 18 -10.745 2.588 5.266 127 2HE2 GLN 18 HE21 GLN 18 -11.083 1.233 4.241 128 H ARG 19 HN ARG 19 -8.736 1.707 -1.116 129 HA ARG 19 HA ARG 19 -11.322 1.438 -2.373 130 1HB ARG 19 HB2 ARG 19 -8.964 3.212 -3.122 131 2HB ARG 19 HB3 ARG 19 -10.634 3.273 -3.809 132 1HG ARG 19 HG2 ARG 19 -11.462 3.559 -1.371 133 2HG ARG 19 HG3 ARG 19 -9.757 3.917 -0.939 134 1HD ARG 19 HD2 ARG 19 -11.504 5.376 -3.031 135 2HD ARG 19 HD3 ARG 19 -11.074 6.005 -1.373 136 HE ARG 19 HE ARG 19 -8.651 5.341 -2.823 137 1HH1 ARG 19 HH11 ARG 19 -10.289 9.014 -3.571 138 2HH1 ARG 19 HH12 ARG 19 -11.265 7.782 -2.840 139 1HH2 ARG 19 HH22 ARG 19 -7.365 7.006 -3.817 140 2HH2 ARG 19 HH21 ARG 19 -8.048 8.567 -4.132 141 H LEU 20 HN LEU 20 -8.295 -0.135 -2.711 142 HA LEU 20 HA LEU 20 -8.549 -0.934 -5.478 143 1HB LEU 20 HB2 LEU 20 -6.463 -0.764 -3.365 144 2HB LEU 20 HB3 LEU 20 -6.394 -2.331 -4.208 145 HG LEU 20 HG LEU 20 -6.304 -1.327 -6.323 146 1HD1 LEU 20 HD13 LEU 20 -7.456 0.887 -6.058 147 2HD1 LEU 20 HD11 LEU 20 -6.121 1.464 -4.994 148 3HD1 LEU 20 HD12 LEU 20 -5.806 1.113 -6.729 149 1HD2 LEU 20 HD22 LEU 20 -4.233 -1.891 -5.151 150 2HD2 LEU 20 HD23 LEU 20 -3.954 -0.456 -6.209 151 3HD2 LEU 20 HD21 LEU 20 -4.149 -0.239 -4.427 152 H HIS 21 HN HIS 21 -8.040 -2.597 -2.338 153 HA HIS 21 HA HIS 21 -9.612 -4.911 -3.233 154 1HB HIS 21 HB2 HIS 21 -7.342 -4.630 -1.177 155 2HB HIS 21 HB3 HIS 21 -8.216 -6.162 -1.564 156 HD1 HIS 21 HD1 HIS 21 -7.762 -7.094 -4.072 157 HD2 HIS 21 HD2 HIS 21 -5.322 -3.872 -2.943 158 HE1 HIS 21 HE1 HIS 21 -5.809 -6.957 -5.714 159 H ASN 22 HN ASN 22 -8.827 -4.788 0.044 160 HA ASN 22 HA ASN 22 -10.824 -3.217 1.179 161 1HB ASN 22 HB2 ASN 22 -12.389 -5.091 2.078 162 2HB ASN 22 HB3 ASN 22 -12.611 -4.550 0.399 163 1HD2 ASN 22 HD22 ASN 22 -12.874 -7.952 -0.469 164 2HD2 ASN 22 HD21 ASN 22 -13.671 -6.430 -0.253 165 H THR 23 HN THR 23 -8.351 -3.118 1.808 166 HA THR 23 HA THR 23 -8.039 -4.457 4.349 167 HB THR 23 HB THR 23 -6.964 -6.176 3.264 168 HG1 THR 23 HG1 THR 23 -4.901 -4.279 3.582 169 1HG2 THR 23 HG21 THR 23 -5.784 -4.178 1.247 170 2HG2 THR 23 HG22 THR 23 -5.387 -5.940 1.376 171 3HG2 THR 23 HG23 THR 23 -7.055 -5.437 0.941 172 H SER 24 HN SER 24 -6.541 -3.316 5.672 173 HA SER 24 HA SER 24 -6.102 -0.514 4.856 174 1HB SER 24 HB2 SER 24 -6.704 -1.674 7.648 175 2HB SER 24 HB3 SER 24 -6.289 0.050 7.291 176 HG SER 24 HG SER 24 -8.124 0.101 5.957 177 H ARG 25 HN ARG 25 -4.794 -3.593 5.708 178 HA ARG 25 HA ARG 25 -2.310 -2.587 6.790 179 1HB ARG 25 HB2 ARG 25 -1.723 -5.011 7.115 180 2HB ARG 25 HB3 ARG 25 -3.040 -4.351 8.118 181 1HG ARG 25 HG2 ARG 25 -3.658 -5.913 5.566 182 2HG ARG 25 HG3 ARG 25 -3.298 -6.736 7.107 183 1HD ARG 25 HD2 ARG 25 -5.216 -6.000 8.207 184 2HD ARG 25 HD3 ARG 25 -5.430 -4.563 7.128 185 HE ARG 25 HE ARG 25 -5.859 -6.389 5.247 186 1HH1 ARG 25 HH22 ARG 25 -7.095 -6.410 8.609 187 2HH1 ARG 25 HH21 ARG 25 -8.585 -7.190 8.188 188 1HH2 ARG 25 HH12 ARG 25 -7.803 -7.531 4.737 189 2HH2 ARG 25 HH11 ARG 25 -8.990 -7.834 5.961 190 H GLY 26 HN GLY 26 -0.862 -1.958 5.340 191 1HA GLY 26 HA1 GLY 26 0.035 -3.263 3.075 192 2HA GLY 26 HA2 GLY 26 -1.376 -2.220 2.596 193 H LYS 27 HN LYS 27 1.946 -2.331 3.038 194 HA LYS 27 HA LYS 27 2.279 0.434 3.977 195 1HB LYS 27 HB2 LYS 27 4.253 -1.926 4.190 196 2HB LYS 27 HB3 LYS 27 4.375 -0.313 4.980 197 1HG LYS 27 HG2 LYS 27 2.304 -0.934 6.345 198 2HG LYS 27 HG3 LYS 27 2.325 -2.539 5.530 199 1HD LYS 27 HD2 LYS 27 4.867 -2.594 6.370 200 2HD LYS 27 HD3 LYS 27 4.265 -1.418 7.588 201 1HE LYS 27 HE2 LYS 27 3.190 -4.279 7.030 202 2HE LYS 27 HE3 LYS 27 4.154 -3.755 8.469 203 1HZ LYS 27 HZ1 LYS 27 1.444 -2.781 7.727 204 2HZ LYS 27 HZ2 LYS 27 1.813 -3.923 8.930 205 3HZ LYS 27 HZ3 LYS 27 2.340 -2.316 9.095 206 H CYS 28 HN CYS 28 5.256 -0.164 3.171 207 HA CYS 28 HA CYS 28 5.147 -0.540 0.344 208 1HB CYS 28 HB2 CYS 28 6.224 1.745 -0.220 209 2HB CYS 28 HB3 CYS 28 4.503 1.676 0.185 210 H MET 29 HN MET 29 7.381 -0.119 -0.643 211 HA MET 29 HA MET 29 9.401 -1.355 1.013 212 1HB MET 29 HB2 MET 29 8.556 -2.206 -1.294 213 2HB MET 29 HB3 MET 29 9.532 -0.903 -2.003 214 1HG MET 29 HG2 MET 29 11.462 -1.941 -0.454 215 2HG MET 29 HG3 MET 29 10.348 -3.329 -0.291 216 1HE MET 29 HE1 MET 29 8.962 -3.571 -3.145 217 2HE MET 29 HE2 MET 29 10.093 -4.594 -4.091 218 3HE MET 29 HE3 MET 29 9.738 -5.007 -2.383 219 H ASN 30 HN ASN 30 10.959 0.206 -1.434 220 HA ASN 30 HA ASN 30 11.850 2.383 0.219 221 1HB ASN 30 HB2 ASN 30 13.526 2.798 -1.653 222 2HB ASN 30 HB3 ASN 30 13.614 1.246 -0.779 223 1HD2 ASN 30 HD22 ASN 30 12.967 1.240 -4.831 224 2HD2 ASN 30 HD21 ASN 30 13.107 2.716 -3.936 225 H LYS 31 HN LYS 31 9.958 2.075 -2.757 226 HA LYS 31 HA LYS 31 9.496 5.004 -2.783 227 1HB LYS 31 HB2 LYS 31 10.436 3.207 -5.066 228 2HB LYS 31 HB3 LYS 31 9.785 4.849 -5.348 229 1HG LYS 31 HG2 LYS 31 11.543 5.902 -4.044 230 2HG LYS 31 HG3 LYS 31 12.268 4.311 -3.655 231 1HD LYS 31 HD2 LYS 31 13.486 4.372 -5.531 232 2HD LYS 31 HD3 LYS 31 11.974 4.283 -6.483 233 1HE LYS 31 HE2 LYS 31 13.317 6.214 -7.253 234 2HE LYS 31 HE3 LYS 31 11.827 6.835 -6.431 235 1HZ LYS 31 HZ1 LYS 31 14.538 6.598 -5.225 236 2HZ LYS 31 HZ2 LYS 31 13.797 8.023 -5.777 237 3HZ LYS 31 HZ3 LYS 31 13.145 7.186 -4.450 238 H LYS 32 HN LYS 32 7.845 1.862 -3.002 239 HA LYS 32 HA LYS 32 5.685 3.154 -4.529 240 1HB LYS 32 HB2 LYS 32 5.421 1.419 -6.001 241 2HB LYS 32 HB3 LYS 32 7.140 1.902 -6.098 242 1HG LYS 32 HG2 LYS 32 7.678 -0.041 -4.469 243 2HG LYS 32 HG3 LYS 32 5.994 -0.625 -4.762 244 1HD LYS 32 HD2 LYS 32 6.445 -0.722 -7.194 245 2HD LYS 32 HD3 LYS 32 8.128 -0.151 -6.900 246 1HE LYS 32 HE2 LYS 32 8.567 -2.209 -5.471 247 2HE LYS 32 HE3 LYS 32 6.888 -2.791 -5.812 248 1HZ LYS 32 HZ1 LYS 32 7.454 -2.860 -8.149 249 2HZ LYS 32 HZ2 LYS 32 9.031 -2.320 -7.820 250 3HZ LYS 32 HZ3 LYS 32 8.505 -3.822 -7.226 251 1HN ABA 33 HN ABA 33 3.547 2.208 -4.144 252 HA ABA 33 HA ABA 33 3.236 1.286 -1.468 253 1HB ABA 33 HB3 ABA 33 1.340 1.979 -3.735 254 2HB ABA 33 HB2 ABA 33 1.815 2.979 -2.343 255 1HG ABA 33 HG1 ABA 33 0.781 1.297 -0.784 256 2HG ABA 33 HG2 ABA 33 -0.402 2.121 -1.882 257 3HG ABA 33 HG3 ABA 33 0.088 0.417 -2.198 258 H ARG 34 HN ARG 34 2.530 -0.740 -0.772 259 HA ARG 34 HA ARG 34 1.984 -2.861 -2.716 260 1HB ARG 34 HB2 ARG 34 3.939 -3.110 -0.339 261 2HB ARG 34 HB3 ARG 34 3.286 -4.484 -1.305 262 1HG ARG 34 HG2 ARG 34 4.226 -3.320 -3.385 263 2HG ARG 34 HG3 ARG 34 5.180 -2.276 -2.278 264 1HD ARG 34 HD2 ARG 34 5.220 -5.378 -2.318 265 2HD ARG 34 HD3 ARG 34 6.422 -4.316 -3.177 266 HE ARG 34 HE ARG 34 6.573 -3.356 -0.598 267 1HH1 ARG 34 HH12 ARG 34 6.778 -6.659 -1.955 268 2HH1 ARG 34 HH11 ARG 34 8.035 -7.167 -0.875 269 1HH2 ARG 34 HH22 ARG 34 8.269 -4.059 0.834 270 2HH2 ARG 34 HH21 ARG 34 8.890 -5.673 0.727 271 H CYS 35 HN CYS 35 1.323 -4.838 -0.953 272 HA CYS 35 HA CYS 35 -0.549 -3.748 0.949 273 1HB CYS 35 HB2 CYS 35 -1.466 -4.112 -1.633 274 2HB CYS 35 HB3 CYS 35 -1.809 -5.721 -0.973 275 H TYR 36 HN TYR 36 -1.247 -5.370 2.367 276 HA TYR 36 HA TYR 36 0.502 -7.733 2.600 277 1HB TYR 36 HB2 TYR 36 0.505 -5.127 4.215 278 2HB TYR 36 HB3 TYR 36 0.928 -6.653 5.089 279 HD1 TYR 36 HD2 TYR 36 2.636 -8.199 3.610 280 HD2 TYR 36 HD1 TYR 36 2.328 -3.923 3.545 281 HE1 TYR 36 HE2 TYR 36 5.040 -8.030 3.031 282 HE2 TYR 36 HE1 TYR 36 4.716 -3.739 2.940 283 HH TYR 36 HH TYR 36 6.778 -6.675 2.671 284 H SER 37 HN SER 37 -1.810 -8.397 2.006 285 HA SER 37 HA SER 37 -3.866 -7.999 3.930 286 1HB SER 37 HB2 SER 37 -5.186 -9.595 2.535 287 2HB SER 37 HB3 SER 37 -4.464 -8.245 1.586 288 HG SER 37 HG SER 37 -4.214 -10.272 0.608 No H/Q in entry = 288 Start of MODEL 15 1 HA PCA 1 HA PGL 1 -3.833 -7.351 -4.856 2 1HB PCA 1 HB2 PGL 1 -3.367 -6.641 -2.028 3 2HB PCA 1 HB3 PGL 1 -4.904 -7.045 -2.858 4 1HG PCA 1 HG2 PGL 1 -3.231 -8.778 -1.090 5 2HG PCA 1 HG3 PGL 1 -4.947 -9.016 -1.652 6 HN PCA 1 HN PGL 1 -2.593 -9.454 -4.945 7 H PHE 2 HN PHE 2 -2.499 -5.988 -5.941 8 HA PHE 2 HA PHE 2 0.082 -5.188 -4.797 9 1HB PHE 2 HB2 PHE 2 -0.513 -6.255 -7.642 10 2HB PHE 2 HB3 PHE 2 0.915 -5.210 -7.289 11 HD1 PHE 2 HD1 PHE 2 2.488 -5.899 -5.401 12 HD2 PHE 2 HD2 PHE 2 -0.294 -8.602 -7.259 13 HE1 PHE 2 HE1 PHE 2 3.845 -7.817 -4.643 14 HE2 PHE 2 HE2 PHE 2 1.061 -10.523 -6.484 15 HZ PHE 2 HZ PHE 2 3.136 -10.135 -5.179 16 H THR 3 HN THR 3 0.801 -3.170 -5.527 17 HA THR 3 HA THR 3 -1.027 -1.374 -6.900 18 HB THR 3 HB THR 3 -0.204 0.349 -5.009 19 HG1 THR 3 HG1 THR 3 0.500 -0.493 -3.336 20 1HG2 THR 3 HG21 THR 3 -2.569 -0.161 -5.546 21 2HG2 THR 3 HG22 THR 3 -2.500 -1.645 -4.515 22 3HG2 THR 3 HG23 THR 3 -2.309 -0.018 -3.766 23 H ASN 4 HN ASN 4 0.211 0.385 -7.851 24 HA ASN 4 HA ASN 4 3.113 0.193 -7.803 25 1HB ASN 4 HB2 ASN 4 3.156 0.353 -10.354 26 2HB ASN 4 HB3 ASN 4 2.732 -1.239 -9.674 27 1HD2 ASN 4 HD22 ASN 4 0.075 0.695 -12.134 28 2HD2 ASN 4 HD21 ASN 4 1.611 1.381 -11.719 29 H VAL 5 HN VAL 5 1.977 1.887 -6.300 30 HA VAL 5 HA VAL 5 1.749 4.484 -7.671 31 HB VAL 5 HB VAL 5 1.153 3.928 -4.728 32 1HG1 VAL 5 HG11 VAL 5 0.063 5.919 -6.854 33 2HG1 VAL 5 HG12 VAL 5 -0.551 5.768 -5.170 34 3HG1 VAL 5 HG13 VAL 5 1.119 6.356 -5.455 35 1HG2 VAL 5 HG23 VAL 5 -0.673 3.343 -7.129 36 2HG2 VAL 5 HG21 VAL 5 -0.122 2.212 -5.822 37 3HG2 VAL 5 HG22 VAL 5 -1.233 3.562 -5.431 38 H SER 6 HN SER 6 2.712 6.085 -5.591 39 HA SER 6 HA SER 6 5.485 5.196 -5.107 40 1HB SER 6 HB2 SER 6 6.152 7.659 -5.196 41 2HB SER 6 HB3 SER 6 5.763 6.847 -6.736 42 HG SER 6 HG SER 6 4.809 8.900 -6.547 43 H CYS 7 HN CYS 7 6.059 5.080 -3.129 44 HA CYS 7 HA CYS 7 4.568 6.583 -1.005 45 1HB CYS 7 HB2 CYS 7 3.349 4.666 -1.094 46 2HB CYS 7 HB3 CYS 7 4.748 3.596 -1.104 47 H THR 8 HN THR 8 5.754 6.936 0.855 48 HA THR 8 HA THR 8 8.593 6.147 0.955 49 HB THR 8 HB THR 8 9.082 8.354 2.105 50 HG1 THR 8 HG1 THR 8 6.840 8.898 2.368 51 1HG2 THR 8 HG23 THR 8 9.777 7.765 -0.230 52 2HG2 THR 8 HG21 THR 8 8.241 8.462 -0.868 53 3HG2 THR 8 HG22 THR 8 9.433 9.521 -0.028 54 H THR 9 HN THR 9 5.667 7.214 2.781 55 HA THR 9 HA THR 9 6.658 5.837 5.205 56 HB THR 9 HB THR 9 4.964 7.304 6.422 57 HG1 THR 9 HG1 THR 9 4.481 9.245 5.330 58 1HG2 THR 9 HG22 THR 9 7.419 7.694 6.417 59 2HG2 THR 9 HG23 THR 9 7.255 8.726 4.939 60 3HG2 THR 9 HG21 THR 9 6.466 9.227 6.488 61 H SER 10 HN SER 10 5.573 4.036 5.786 62 HA SER 10 HA SER 10 3.711 2.698 4.573 63 1HB SER 10 HB2 SER 10 4.961 1.750 6.359 64 2HB SER 10 HB3 SER 10 4.144 2.801 7.578 65 HG SER 10 HG SER 10 2.243 1.612 7.113 66 H LYS 11 HN LYS 11 2.572 4.869 7.046 67 HA LYS 11 HA LYS 11 -0.106 4.419 7.095 68 1HB LYS 11 HB2 LYS 11 1.201 5.652 8.787 69 2HB LYS 11 HB3 LYS 11 1.402 7.031 7.668 70 1HG LYS 11 HG2 LYS 11 -1.070 7.444 7.732 71 2HG LYS 11 HG3 LYS 11 -1.290 6.005 8.792 72 1HD LYS 11 HD2 LYS 11 0.029 7.086 10.578 73 2HD LYS 11 HD3 LYS 11 0.437 8.465 9.499 74 1HE LYS 11 HE2 LYS 11 -2.428 7.748 10.450 75 2HE LYS 11 HE3 LYS 11 -1.378 9.049 11.143 76 1HZ LYS 11 HZ3 LYS 11 -1.367 10.118 8.995 77 2HZ LYS 11 HZ1 LYS 11 -2.352 8.903 8.337 78 3HZ LYS 11 HZ2 LYS 11 -2.952 9.907 9.569 79 H GLU 12 HN GLU 12 1.637 6.606 4.829 80 HA GLU 12 HA GLU 12 -0.110 8.244 3.796 81 1HB GLU 12 HB2 GLU 12 2.390 7.732 3.434 82 2HB GLU 12 HB3 GLU 12 1.921 6.612 2.140 83 1HG GLU 12 HG2 GLU 12 0.731 8.647 1.017 84 2HG GLU 12 HG3 GLU 12 1.462 9.648 2.336 85 1HN ABA 13 HN ABA 13 0.142 4.836 2.853 86 HA ABA 13 HA ABA 13 -1.744 5.142 0.589 87 1HB ABA 13 HB3 ABA 13 0.480 4.961 -0.189 88 2HB ABA 13 HB2 ABA 13 -0.343 3.422 -0.503 89 1HG ABA 13 HG1 ABA 13 0.905 2.409 1.489 90 2HG ABA 13 HG2 ABA 13 1.997 3.175 0.257 91 3HG ABA 13 HG3 ABA 13 1.648 4.033 1.791 92 H TRP 14 HN TRP 14 -2.534 4.482 3.361 93 HA TRP 14 HA TRP 14 -3.355 1.698 3.234 94 1HB TRP 14 HB2 TRP 14 -3.633 3.877 5.370 95 2HB TRP 14 HB3 TRP 14 -4.499 2.309 5.511 96 HD1 TRP 14 HD1 TRP 14 -0.859 2.251 4.160 97 HE1 TRP 14 HE1 TRP 14 0.462 0.785 5.725 98 HE3 TRP 14 HE3 TRP 14 -4.331 1.804 7.886 99 HZ2 TRP 14 HZ2 TRP 14 0.075 -0.547 8.209 100 HZ3 TRP 14 HZ3 TRP 14 -3.840 0.283 9.774 101 HH2 TRP 14 HH2 TRP 14 -1.679 -0.924 9.892 102 H SER 15 HN SER 15 -4.792 4.811 2.366 103 HA SER 15 HA SER 15 -7.467 3.721 2.197 104 1HB SER 15 HB2 SER 15 -8.092 6.047 1.467 105 2HB SER 15 HB3 SER 15 -7.354 5.939 3.097 106 HG SER 15 HG SER 15 -5.954 6.633 0.733 107 H VAL 16 HN VAL 16 -4.699 3.419 0.448 108 HA VAL 16 HA VAL 16 -5.890 3.511 -2.215 109 HB VAL 16 HB VAL 16 -3.019 2.874 -1.335 110 1HG1 VAL 16 HG12 VAL 16 -4.268 3.484 -4.109 111 2HG1 VAL 16 HG13 VAL 16 -2.504 3.397 -3.750 112 3HG1 VAL 16 HG11 VAL 16 -3.511 1.923 -3.608 113 1HG2 VAL 16 HG21 VAL 16 -4.333 5.477 -2.361 114 2HG2 VAL 16 HG22 VAL 16 -3.665 5.202 -0.706 115 3HG2 VAL 16 HG23 VAL 16 -2.564 5.218 -2.121 116 H CYS 17 HN CYS 17 -4.732 1.175 0.283 117 HA CYS 17 HA CYS 17 -5.162 -1.160 -1.344 118 1HB CYS 17 HB2 CYS 17 -4.232 -0.502 1.477 119 2HB CYS 17 HB3 CYS 17 -4.817 -2.161 1.203 120 H GLN 18 HN GLN 18 -7.235 0.842 0.666 121 HA GLN 18 HA GLN 18 -9.021 -1.249 1.457 122 1HB GLN 18 HB2 GLN 18 -8.271 0.553 2.970 123 2HB GLN 18 HB3 GLN 18 -8.966 1.799 1.887 124 1HG GLN 18 HG2 GLN 18 -11.252 0.943 2.313 125 2HG GLN 18 HG3 GLN 18 -10.578 -0.456 3.241 126 1HE2 GLN 18 HE22 GLN 18 -11.714 1.992 5.802 127 2HE2 GLN 18 HE21 GLN 18 -12.385 0.882 4.657 128 H ARG 19 HN ARG 19 -8.867 1.496 -0.831 129 HA ARG 19 HA ARG 19 -11.617 1.209 -1.670 130 1HB ARG 19 HB2 ARG 19 -9.438 3.153 -2.507 131 2HB ARG 19 HB3 ARG 19 -11.151 3.190 -3.058 132 1HG ARG 19 HG2 ARG 19 -11.195 2.995 -0.153 133 2HG ARG 19 HG3 ARG 19 -9.981 4.230 -0.604 134 1HD ARG 19 HD2 ARG 19 -12.070 5.341 -0.309 135 2HD ARG 19 HD3 ARG 19 -11.700 5.325 -2.100 136 HE ARG 19 HE ARG 19 -13.224 3.069 -1.890 137 1HH1 ARG 19 HH22 ARG 19 -13.818 6.318 -0.503 138 2HH1 ARG 19 HH21 ARG 19 -15.543 6.182 -0.602 139 1HH2 ARG 19 HH12 ARG 19 -15.545 2.926 -2.015 140 2HH2 ARG 19 HH11 ARG 19 -16.529 4.243 -1.467 141 H LEU 20 HN LEU 20 -8.496 -0.079 -2.671 142 HA LEU 20 HA LEU 20 -9.270 -0.581 -5.395 143 1HB LEU 20 HB2 LEU 20 -7.019 0.245 -4.879 144 2HB LEU 20 HB3 LEU 20 -6.726 -1.154 -3.802 145 HG LEU 20 HG LEU 20 -6.877 -2.691 -5.712 146 1HD1 LEU 20 HD11 LEU 20 -7.223 -0.171 -7.479 147 2HD1 LEU 20 HD12 LEU 20 -6.865 -1.829 -8.091 148 3HD1 LEU 20 HD13 LEU 20 -8.427 -1.497 -7.263 149 1HD2 LEU 20 HD21 LEU 20 -4.704 -1.742 -5.030 150 2HD2 LEU 20 HD22 LEU 20 -4.738 -2.082 -6.800 151 3HD2 LEU 20 HD23 LEU 20 -4.900 -0.385 -6.204 152 H HIS 21 HN HIS 21 -8.546 -2.416 -2.307 153 HA HIS 21 HA HIS 21 -9.659 -4.846 -3.534 154 1HB HIS 21 HB2 HIS 21 -7.394 -4.516 -1.480 155 2HB HIS 21 HB3 HIS 21 -8.099 -6.088 -2.015 156 HD1 HIS 21 HD1 HIS 21 -7.757 -6.605 -4.684 157 HD2 HIS 21 HD2 HIS 21 -5.387 -3.534 -3.089 158 HE1 HIS 21 HE1 HIS 21 -5.797 -6.213 -6.273 159 H ASN 22 HN ASN 22 -8.846 -5.054 -0.276 160 HA ASN 22 HA ASN 22 -11.206 -4.191 0.952 161 1HB ASN 22 HB2 ASN 22 -12.402 -6.364 1.355 162 2HB ASN 22 HB3 ASN 22 -12.496 -5.830 -0.336 163 1HD2 ASN 22 HD22 ASN 22 -10.500 -8.559 -1.682 164 2HD2 ASN 22 HD21 ASN 22 -10.859 -6.883 -1.922 165 H THR 23 HN THR 23 -8.941 -3.595 1.881 166 HA THR 23 HA THR 23 -8.748 -5.165 4.283 167 HB THR 23 HB THR 23 -7.029 -6.183 2.749 168 HG1 THR 23 HG1 THR 23 -6.860 -6.265 4.952 169 1HG2 THR 23 HG23 THR 23 -6.308 -4.073 1.545 170 2HG2 THR 23 HG21 THR 23 -5.507 -3.520 3.072 171 3HG2 THR 23 HG22 THR 23 -4.945 -5.013 2.256 172 H SER 24 HN SER 24 -6.621 -3.463 5.370 173 HA SER 24 HA SER 24 -7.265 -0.767 4.569 174 1HB SER 24 HB2 SER 24 -7.765 0.097 6.869 175 2HB SER 24 HB3 SER 24 -9.047 -0.962 6.200 176 HG SER 24 HG SER 24 -7.101 -1.612 8.137 177 H ARG 25 HN ARG 25 -5.030 -3.085 5.047 178 HA ARG 25 HA ARG 25 -3.101 -1.405 6.494 179 1HB ARG 25 HB2 ARG 25 -3.141 -4.468 6.207 180 2HB ARG 25 HB3 ARG 25 -1.869 -3.491 7.004 181 1HG ARG 25 HG2 ARG 25 -3.027 -4.354 8.768 182 2HG ARG 25 HG3 ARG 25 -3.550 -2.644 8.669 183 1HD ARG 25 HD2 ARG 25 -5.434 -4.270 9.245 184 2HD ARG 25 HD3 ARG 25 -5.746 -3.328 7.752 185 HE ARG 25 HE ARG 25 -5.447 -5.231 6.396 186 1HH1 ARG 25 HH12 ARG 25 -4.599 -6.072 9.774 187 2HH1 ARG 25 HH11 ARG 25 -4.564 -7.778 9.476 188 1HH2 ARG 25 HH22 ARG 25 -5.414 -7.521 6.032 189 2HH2 ARG 25 HH21 ARG 25 -5.032 -8.609 7.325 190 H GLY 26 HN GLY 26 -0.850 -2.282 5.820 191 1HA GLY 26 HA1 GLY 26 0.007 -3.190 3.503 192 2HA GLY 26 HA2 GLY 26 -0.472 -1.482 3.088 193 H LYS 27 HN LYS 27 2.115 -1.842 2.783 194 HA LYS 27 HA LYS 27 3.055 0.097 4.664 195 1HB LYS 27 HB2 LYS 27 4.823 -2.319 3.845 196 2HB LYS 27 HB3 LYS 27 5.360 -0.885 4.783 197 1HG LYS 27 HG2 LYS 27 3.797 -1.561 6.633 198 2HG LYS 27 HG3 LYS 27 3.444 -3.082 5.736 199 1HD LYS 27 HD2 LYS 27 6.285 -2.162 6.449 200 2HD LYS 27 HD3 LYS 27 5.283 -3.129 7.594 201 1HE LYS 27 HE2 LYS 27 6.110 -4.050 4.757 202 2HE LYS 27 HE3 LYS 27 6.954 -4.506 6.287 203 1HZ LYS 27 HZ3 LYS 27 4.111 -5.078 5.643 204 2HZ LYS 27 HZ1 LYS 27 5.404 -6.175 5.574 205 3HZ LYS 27 HZ2 LYS 27 4.928 -5.516 7.066 206 H CYS 28 HN CYS 28 5.551 0.202 3.303 207 HA CYS 28 HA CYS 28 5.264 -0.316 0.530 208 1HB CYS 28 HB2 CYS 28 5.943 2.042 -0.202 209 2HB CYS 28 HB3 CYS 28 4.274 1.860 0.392 210 H MET 29 HN MET 29 7.475 0.367 -0.509 211 HA MET 29 HA MET 29 9.476 -0.833 1.233 212 1HB MET 29 HB2 MET 29 8.543 -1.809 -0.993 213 2HB MET 29 HB3 MET 29 9.654 -0.665 -1.795 214 1HG MET 29 HG2 MET 29 11.494 -1.724 -0.235 215 2HG MET 29 HG3 MET 29 10.219 -2.890 0.272 216 1HE MET 29 HE1 MET 29 13.091 -3.592 -0.808 217 2HE MET 29 HE2 MET 29 11.860 -4.791 -0.276 218 3HE MET 29 HE3 MET 29 12.716 -5.014 -1.841 219 H ASN 30 HN ASN 30 11.110 0.483 -1.302 220 HA ASN 30 HA ASN 30 12.015 2.781 0.189 221 1HB ASN 30 HB2 ASN 30 13.755 3.064 -1.516 222 2HB ASN 30 HB3 ASN 30 13.732 1.433 -0.795 223 1HD2 ASN 30 HD22 ASN 30 14.326 1.229 -4.535 224 2HD2 ASN 30 HD21 ASN 30 15.068 2.103 -3.241 225 H LYS 31 HN LYS 31 10.156 2.239 -2.783 226 HA LYS 31 HA LYS 31 9.631 5.130 -3.044 227 1HB LYS 31 HB2 LYS 31 10.872 3.227 -5.083 228 2HB LYS 31 HB3 LYS 31 10.135 4.777 -5.580 229 1HG LYS 31 HG2 LYS 31 11.684 6.097 -4.284 230 2HG LYS 31 HG3 LYS 31 12.488 4.625 -3.626 231 1HD LYS 31 HD2 LYS 31 13.281 3.946 -5.791 232 2HD LYS 31 HD3 LYS 31 12.258 5.163 -6.631 233 1HE LYS 31 HE2 LYS 31 14.646 5.901 -6.573 234 2HE LYS 31 HE3 LYS 31 13.593 7.040 -5.640 235 1HZ LYS 31 HZ1 LYS 31 14.285 5.897 -3.616 236 2HZ LYS 31 HZ2 LYS 31 15.302 4.878 -4.522 237 3HZ LYS 31 HZ3 LYS 31 15.600 6.551 -4.467 238 H LYS 32 HN LYS 32 8.008 2.030 -2.909 239 HA LYS 32 HA LYS 32 5.904 3.165 -4.577 240 1HB LYS 32 HB2 LYS 32 5.595 1.403 -5.984 241 2HB LYS 32 HB3 LYS 32 7.322 1.831 -6.138 242 1HG LYS 32 HG2 LYS 32 7.902 -0.100 -4.562 243 2HG LYS 32 HG3 LYS 32 6.165 -0.586 -4.609 244 1HD LYS 32 HD2 LYS 32 6.290 -0.742 -7.097 245 2HD LYS 32 HD3 LYS 32 8.042 -0.359 -7.010 246 1HE LYS 32 HE2 LYS 32 7.732 -2.837 -7.225 247 2HE LYS 32 HE3 LYS 32 8.404 -2.455 -5.589 248 1HZ LYS 32 HZ3 LYS 32 5.545 -2.966 -6.236 249 2HZ LYS 32 HZ1 LYS 32 6.622 -4.048 -5.492 250 3HZ LYS 32 HZ2 LYS 32 6.176 -2.614 -4.699 251 1HN ABA 33 HN ABA 33 3.834 2.192 -4.230 252 HA ABA 33 HA ABA 33 3.325 1.519 -1.521 253 1HB ABA 33 HB3 ABA 33 1.536 1.738 -3.988 254 2HB ABA 33 HB2 ABA 33 1.952 3.026 -2.803 255 1HG ABA 33 HG1 ABA 33 0.935 1.667 -0.966 256 2HG ABA 33 HG2 ABA 33 -0.244 2.252 -2.207 257 3HG ABA 33 HG3 ABA 33 0.267 0.526 -2.160 258 H ARG 34 HN ARG 34 2.708 -0.497 -0.683 259 HA ARG 34 HA ARG 34 2.263 -2.731 -2.525 260 1HB ARG 34 HB2 ARG 34 4.683 -2.716 -1.335 261 2HB ARG 34 HB3 ARG 34 3.757 -3.373 0.043 262 1HG ARG 34 HG2 ARG 34 2.790 -5.101 -1.700 263 2HG ARG 34 HG3 ARG 34 4.012 -4.450 -2.844 264 1HD ARG 34 HD2 ARG 34 5.861 -5.202 -1.249 265 2HD ARG 34 HD3 ARG 34 4.575 -5.811 -0.107 266 HE ARG 34 HE ARG 34 4.397 -6.802 -2.920 267 1HH1 ARG 34 HH22 ARG 34 5.717 -7.489 0.340 268 2HH1 ARG 34 HH21 ARG 34 5.877 -9.190 0.043 269 1HH2 ARG 34 HH12 ARG 34 4.620 -9.066 -3.276 270 2HH2 ARG 34 HH11 ARG 34 5.248 -10.098 -2.032 271 H CYS 35 HN CYS 35 1.402 -4.617 -0.828 272 HA CYS 35 HA CYS 35 -0.658 -3.479 0.822 273 1HB CYS 35 HB2 CYS 35 -1.302 -3.667 -1.809 274 2HB CYS 35 HB3 CYS 35 -1.608 -5.363 -1.405 275 H TYR 36 HN TYR 36 -1.368 -4.970 2.230 276 HA TYR 36 HA TYR 36 -0.111 -7.625 2.378 277 1HB TYR 36 HB2 TYR 36 0.338 -5.260 4.291 278 2HB TYR 36 HB3 TYR 36 0.585 -6.973 4.848 279 HD1 TYR 36 HD2 TYR 36 2.175 -8.409 3.269 280 HD2 TYR 36 HD1 TYR 36 2.166 -4.135 3.532 281 HE1 TYR 36 HE2 TYR 36 4.540 -8.353 2.549 282 HE2 TYR 36 HE1 TYR 36 4.527 -4.057 2.856 283 HH TYR 36 HH TYR 36 6.341 -5.252 2.276 284 H SER 37 HN SER 37 -2.333 -8.150 1.867 285 HA SER 37 HA SER 37 -4.338 -7.664 3.933 286 1HB SER 37 HB2 SER 37 -4.974 -7.388 1.519 287 2HB SER 37 HB3 SER 37 -4.559 -9.115 1.226 288 HG SER 37 HG SER 37 -6.135 -9.642 2.792 No H/Q in entry = 288 Start of MODEL 16 1 HA PCA 1 HA PGL 1 3.738 -5.827 -4.008 2 1HB PCA 1 HB2 PGL 1 4.091 -5.507 -7.045 3 2HB PCA 1 HB3 PGL 1 4.378 -4.278 -5.749 4 1HG PCA 1 HG2 PGL 1 6.422 -5.819 -6.889 5 2HG PCA 1 HG3 PGL 1 6.462 -5.337 -5.129 6 HN PCA 1 HN PGL 1 4.004 -8.308 -4.645 7 H PHE 2 HN PHE 2 1.666 -4.678 -4.466 8 HA PHE 2 HA PHE 2 -0.313 -6.248 -5.912 9 1HB PHE 2 HB2 PHE 2 -0.193 -5.791 -2.914 10 2HB PHE 2 HB3 PHE 2 -1.812 -5.574 -3.653 11 HD1 PHE 2 HD1 PHE 2 -2.426 -7.419 -5.499 12 HD2 PHE 2 HD2 PHE 2 0.150 -7.990 -2.105 13 HE1 PHE 2 HE1 PHE 2 -2.950 -9.832 -5.507 14 HE2 PHE 2 HE2 PHE 2 -0.396 -10.400 -2.099 15 HZ PHE 2 HZ PHE 2 -1.944 -11.328 -3.804 16 H THR 3 HN THR 3 1.065 -3.292 -5.226 17 HA THR 3 HA THR 3 -0.933 -2.095 -6.981 18 HB THR 3 HB THR 3 -1.285 -0.063 -5.976 19 HG1 THR 3 HG1 THR 3 0.204 -0.439 -3.669 20 1HG2 THR 3 HG21 THR 3 -2.680 -1.819 -4.879 21 2HG2 THR 3 HG22 THR 3 -1.401 -2.065 -3.623 22 3HG2 THR 3 HG23 THR 3 -2.263 -0.505 -3.716 23 H ASN 4 HN ASN 4 0.210 0.240 -7.660 24 HA ASN 4 HA ASN 4 3.071 0.057 -7.811 25 1HB ASN 4 HB2 ASN 4 2.994 0.297 -10.395 26 2HB ASN 4 HB3 ASN 4 2.721 -1.329 -9.720 27 1HD2 ASN 4 HD22 ASN 4 -0.038 -1.709 -11.857 28 2HD2 ASN 4 HD21 ASN 4 1.512 -2.266 -11.319 29 H VAL 5 HN VAL 5 1.587 1.746 -6.302 30 HA VAL 5 HA VAL 5 1.502 4.303 -7.752 31 HB VAL 5 HB VAL 5 0.805 4.011 -4.808 32 1HG1 VAL 5 HG11 VAL 5 -0.261 5.705 -7.179 33 2HG1 VAL 5 HG12 VAL 5 -0.875 5.762 -5.485 34 3HG1 VAL 5 HG13 VAL 5 0.791 6.312 -5.847 35 1HG2 VAL 5 HG21 VAL 5 -0.890 3.058 -7.190 36 2HG2 VAL 5 HG22 VAL 5 -0.347 2.127 -5.728 37 3HG2 VAL 5 HG23 VAL 5 -1.538 3.463 -5.558 38 H SER 6 HN SER 6 2.391 6.081 -5.840 39 HA SER 6 HA SER 6 5.171 5.282 -5.243 40 1HB SER 6 HB2 SER 6 5.688 7.782 -5.292 41 2HB SER 6 HB3 SER 6 5.351 6.972 -6.846 42 HG SER 6 HG SER 6 3.472 8.464 -5.333 43 H CYS 7 HN CYS 7 5.797 5.255 -3.255 44 HA CYS 7 HA CYS 7 4.185 6.625 -1.134 45 1HB CYS 7 HB2 CYS 7 3.281 4.518 -1.166 46 2HB CYS 7 HB3 CYS 7 4.834 3.696 -1.129 47 H THR 8 HN THR 8 5.321 7.087 0.761 48 HA THR 8 HA THR 8 8.250 6.866 0.775 49 HB THR 8 HB THR 8 8.305 9.101 1.999 50 HG1 THR 8 HG1 THR 8 6.614 10.488 1.468 51 1HG2 THR 8 HG21 THR 8 9.096 8.731 -0.352 52 2HG2 THR 8 HG22 THR 8 7.443 9.106 -0.969 53 3HG2 THR 8 HG23 THR 8 8.395 10.371 -0.111 54 H THR 9 HN THR 9 5.250 7.443 2.734 55 HA THR 9 HA THR 9 6.588 6.343 5.116 56 HB THR 9 HB THR 9 4.746 7.572 6.368 57 HG1 THR 9 HG1 THR 9 3.782 9.246 5.220 58 1HG2 THR 9 HG22 THR 9 7.093 8.409 6.120 59 2HG2 THR 9 HG23 THR 9 6.632 9.256 4.593 60 3HG2 THR 9 HG21 THR 9 5.882 9.745 6.160 61 H SER 10 HN SER 10 5.636 4.737 6.365 62 HA SER 10 HA SER 10 3.501 3.159 5.189 63 1HB SER 10 HB2 SER 10 4.006 1.530 7.054 64 2HB SER 10 HB3 SER 10 5.343 1.853 5.906 65 HG SER 10 HG SER 10 6.009 1.845 8.056 66 H LYS 11 HN LYS 11 1.928 4.749 5.338 67 HA LYS 11 HA LYS 11 0.174 4.736 7.458 68 1HB LYS 11 HB2 LYS 11 2.221 6.535 8.095 69 2HB LYS 11 HB3 LYS 11 1.067 7.638 7.320 70 1HG LYS 11 HG2 LYS 11 0.428 5.654 9.601 71 2HG LYS 11 HG3 LYS 11 0.892 7.376 9.840 72 1HD LYS 11 HD2 LYS 11 -1.135 8.130 8.629 73 2HD LYS 11 HD3 LYS 11 -1.631 6.421 8.346 74 1HE LYS 11 HE2 LYS 11 -1.853 6.029 10.796 75 2HE LYS 11 HE3 LYS 11 -1.299 7.721 11.134 76 1HZ LYS 11 HZ1 LYS 11 -3.718 6.970 9.578 77 2HZ LYS 11 HZ2 LYS 11 -3.688 7.476 11.200 78 3HZ LYS 11 HZ3 LYS 11 -3.206 8.543 9.969 79 H GLU 12 HN GLU 12 1.586 6.362 4.593 80 HA GLU 12 HA GLU 12 -0.564 7.597 3.521 81 1HB GLU 12 HB2 GLU 12 2.087 7.443 3.173 82 2HB GLU 12 HB3 GLU 12 1.674 6.446 1.777 83 1HG GLU 12 HG2 GLU 12 0.182 8.363 0.922 84 2HG GLU 12 HG3 GLU 12 0.664 9.312 2.382 85 1HN ABA 13 HN ABA 13 0.214 4.190 3.311 86 HA ABA 13 HA ABA 13 -1.033 3.735 0.740 87 1HB ABA 13 HB3 ABA 13 -0.042 1.524 0.842 88 2HB ABA 13 HB2 ABA 13 0.317 1.704 2.605 89 1HG ABA 13 HG1 ABA 13 1.961 3.442 2.161 90 2HG ABA 13 HG2 ABA 13 2.276 2.020 1.095 91 3HG ABA 13 HG3 ABA 13 1.533 3.505 0.404 92 H TRP 14 HN TRP 14 -2.558 4.086 3.534 93 HA TRP 14 HA TRP 14 -4.189 1.716 3.704 94 1HB TRP 14 HB2 TRP 14 -3.929 4.339 5.207 95 2HB TRP 14 HB3 TRP 14 -5.442 3.368 5.383 96 HD1 TRP 14 HD1 TRP 14 -5.573 1.566 6.954 97 HE1 TRP 14 HE1 TRP 14 -3.992 -0.009 8.150 98 HE3 TRP 14 HE3 TRP 14 -1.156 3.244 5.047 99 HZ2 TRP 14 HZ2 TRP 14 -1.173 -0.295 8.570 100 HZ3 TRP 14 HZ3 TRP 14 0.936 2.178 5.769 101 HH2 TRP 14 HH2 TRP 14 0.948 0.471 7.545 102 H SER 15 HN SER 15 -4.421 4.960 2.104 103 HA SER 15 HA SER 15 -7.208 4.582 1.404 104 1HB SER 15 HB2 SER 15 -6.951 6.890 0.392 105 2HB SER 15 HB3 SER 15 -6.611 6.796 2.150 106 HG SER 15 HG SER 15 -4.662 6.765 0.096 107 H VAL 16 HN VAL 16 -4.294 3.398 0.273 108 HA VAL 16 HA VAL 16 -5.178 3.215 -2.529 109 HB VAL 16 HB VAL 16 -2.579 2.177 -1.319 110 1HG1 VAL 16 HG12 VAL 16 -3.367 1.218 -3.572 111 2HG1 VAL 16 HG13 VAL 16 -3.470 2.897 -4.205 112 3HG1 VAL 16 HG11 VAL 16 -1.878 2.210 -3.704 113 1HG2 VAL 16 HG23 VAL 16 -3.240 4.925 -2.569 114 2HG2 VAL 16 HG21 VAL 16 -2.625 4.609 -0.899 115 3HG2 VAL 16 HG22 VAL 16 -1.579 4.284 -2.320 116 H CYS 17 HN CYS 17 -4.473 1.173 0.401 117 HA CYS 17 HA CYS 17 -5.334 -1.215 -0.816 118 1HB CYS 17 HB2 CYS 17 -4.621 -0.369 2.013 119 2HB CYS 17 HB3 CYS 17 -5.234 -2.016 1.699 120 H GLN 18 HN GLN 18 -7.307 1.360 0.489 121 HA GLN 18 HA GLN 18 -9.510 -0.412 1.186 122 1HB GLN 18 HB2 GLN 18 -9.235 2.616 1.247 123 2HB GLN 18 HB3 GLN 18 -10.798 1.753 1.557 124 1HG GLN 18 HG2 GLN 18 -9.856 0.497 3.403 125 2HG GLN 18 HG3 GLN 18 -8.241 1.227 3.117 126 1HE2 GLN 18 HE22 GLN 18 -8.996 3.992 5.237 127 2HE2 GLN 18 HE21 GLN 18 -7.829 2.887 4.588 128 H ARG 19 HN ARG 19 -8.572 1.884 -1.347 129 HA ARG 19 HA ARG 19 -11.035 1.664 -2.818 130 1HB ARG 19 HB2 ARG 19 -8.411 2.924 -3.736 131 2HB ARG 19 HB3 ARG 19 -10.011 3.025 -4.567 132 1HG ARG 19 HG2 ARG 19 -10.882 3.955 -2.257 133 2HG ARG 19 HG3 ARG 19 -9.154 4.312 -1.944 134 1HD ARG 19 HD2 ARG 19 -10.932 5.270 -4.285 135 2HD ARG 19 HD3 ARG 19 -10.258 6.302 -2.951 136 HE ARG 19 HE ARG 19 -7.930 5.428 -3.951 137 1HH1 ARG 19 HH22 ARG 19 -10.807 6.408 -5.841 138 2HH1 ARG 19 HH21 ARG 19 -9.887 6.900 -7.225 139 1HH2 ARG 19 HH12 ARG 19 -6.727 6.095 -5.821 140 2HH2 ARG 19 HH11 ARG 19 -7.550 6.720 -7.212 141 H LEU 20 HN LEU 20 -7.980 -0.107 -2.929 142 HA LEU 20 HA LEU 20 -8.586 -1.458 -5.432 143 1HB LEU 20 HB2 LEU 20 -6.226 -1.119 -3.613 144 2HB LEU 20 HB3 LEU 20 -6.318 -2.714 -4.422 145 HG LEU 20 HG LEU 20 -4.902 -1.188 -5.569 146 1HD1 LEU 20 HD12 LEU 20 -6.008 -3.051 -6.780 147 2HD1 LEU 20 HD13 LEU 20 -7.368 -1.964 -7.257 148 3HD1 LEU 20 HD11 LEU 20 -5.702 -1.650 -7.872 149 1HD2 LEU 20 HD21 LEU 20 -6.040 0.998 -5.165 150 2HD2 LEU 20 HD22 LEU 20 -5.700 0.727 -6.915 151 3HD2 LEU 20 HD23 LEU 20 -7.374 0.521 -6.285 152 H HIS 21 HN HIS 21 -7.557 -2.665 -2.219 153 HA HIS 21 HA HIS 21 -8.748 -5.241 -2.793 154 1HB HIS 21 HB2 HIS 21 -6.884 -4.241 -0.581 155 2HB HIS 21 HB3 HIS 21 -7.349 -5.971 -0.805 156 HD1 HIS 21 HD1 HIS 21 -6.334 -7.209 -2.912 157 HD2 HIS 21 HD2 HIS 21 -5.067 -3.234 -2.526 158 HE1 HIS 21 HE1 HIS 21 -4.381 -6.840 -4.516 159 H ASN 22 HN ASN 22 -9.478 -2.544 -0.689 160 HA ASN 22 HA ASN 22 -10.729 -2.054 0.855 161 1HB ASN 22 HB2 ASN 22 -12.957 -2.914 1.360 162 2HB ASN 22 HB3 ASN 22 -12.642 -2.503 -0.340 163 1HD2 ASN 22 HD22 ASN 22 -13.593 -5.633 -1.618 164 2HD2 ASN 22 HD21 ASN 22 -13.144 -3.983 -1.905 165 H THR 23 HN THR 23 -8.701 -2.467 1.966 166 HA THR 23 HA THR 23 -9.138 -4.012 4.378 167 HB THR 23 HB THR 23 -8.095 -5.556 2.626 168 HG1 THR 23 HG1 THR 23 -7.995 -5.902 4.824 169 1HG2 THR 23 HG22 THR 23 -6.466 -3.867 1.629 170 2HG2 THR 23 HG23 THR 23 -5.525 -3.939 3.177 171 3HG2 THR 23 HG21 THR 23 -5.700 -5.399 2.170 172 H SER 24 HN SER 24 -6.752 -3.645 5.608 173 HA SER 24 HA SER 24 -5.901 -0.881 5.355 174 1HB SER 24 HB2 SER 24 -6.330 -0.402 7.806 175 2HB SER 24 HB3 SER 24 -7.790 -0.464 6.780 176 HG SER 24 HG SER 24 -8.028 -1.573 8.736 177 H ARG 25 HN ARG 25 -4.866 -3.612 4.799 178 HA ARG 25 HA ARG 25 -2.507 -3.535 6.567 179 1HB ARG 25 HB2 ARG 25 -3.924 -5.988 5.354 180 2HB ARG 25 HB3 ARG 25 -2.194 -5.987 5.839 181 1HG ARG 25 HG2 ARG 25 -3.269 -7.023 7.588 182 2HG ARG 25 HG3 ARG 25 -2.788 -5.398 8.170 183 1HD ARG 25 HD2 ARG 25 -4.980 -6.123 9.059 184 2HD ARG 25 HD3 ARG 25 -5.195 -4.646 8.046 185 HE ARG 25 HE ARG 25 -5.740 -6.376 6.124 186 1HH1 ARG 25 HH12 ARG 25 -6.775 -6.604 9.548 187 2HH1 ARG 25 HH11 ARG 25 -8.181 -7.552 9.194 188 1HH2 ARG 25 HH22 ARG 25 -7.600 -7.718 5.698 189 2HH2 ARG 25 HH21 ARG 25 -8.653 -8.191 6.990 190 H GLY 26 HN GLY 26 -1.048 -2.503 5.386 191 1HA GLY 26 HA1 GLY 26 0.035 -3.379 3.053 192 2HA GLY 26 HA2 GLY 26 -1.185 -2.105 2.622 193 H LYS 27 HN LYS 27 1.968 -2.344 2.881 194 HA LYS 27 HA LYS 27 2.399 0.255 4.155 195 1HB LYS 27 HB2 LYS 27 3.662 -0.585 5.832 196 2HB LYS 27 HB3 LYS 27 3.048 -2.204 5.391 197 1HG LYS 27 HG2 LYS 27 5.080 -2.471 3.850 198 2HG LYS 27 HG3 LYS 27 5.709 -0.941 4.559 199 1HD LYS 27 HD2 LYS 27 5.664 -1.961 6.826 200 2HD LYS 27 HD3 LYS 27 5.044 -3.502 6.121 201 1HE LYS 27 HE2 LYS 27 7.133 -3.719 4.734 202 2HE LYS 27 HE3 LYS 27 7.754 -2.162 5.419 203 1HZ LYS 27 HZ1 LYS 27 7.131 -4.627 6.959 204 2HZ LYS 27 HZ2 LYS 27 8.673 -4.065 6.523 205 3HZ LYS 27 HZ3 LYS 27 7.715 -3.164 7.597 206 H CYS 28 HN CYS 28 4.983 0.716 3.321 207 HA CYS 28 HA CYS 28 5.129 -0.228 0.525 208 1HB CYS 28 HB2 CYS 28 5.873 2.074 -0.189 209 2HB CYS 28 HB3 CYS 28 4.192 1.950 0.349 210 H MET 29 HN MET 29 7.334 0.367 -0.437 211 HA MET 29 HA MET 29 9.333 -0.739 1.340 212 1HB MET 29 HB2 MET 29 8.505 -1.751 -0.921 213 2HB MET 29 HB3 MET 29 9.546 -0.530 -1.688 214 1HG MET 29 HG2 MET 29 11.384 -1.495 0.013 215 2HG MET 29 HG3 MET 29 10.200 -2.828 0.252 216 1HE MET 29 HE2 MET 29 13.304 -2.818 -0.696 217 2HE MET 29 HE3 MET 29 12.356 -4.306 -0.351 218 3HE MET 29 HE1 MET 29 13.290 -4.168 -1.881 219 H ASN 30 HN ASN 30 10.949 0.642 -1.165 220 HA ASN 30 HA ASN 30 11.759 2.954 0.349 221 1HB ASN 30 HB2 ASN 30 13.459 3.246 -1.552 222 2HB ASN 30 HB3 ASN 30 13.585 1.825 -0.484 223 1HD2 ASN 30 HD22 ASN 30 13.377 -0.570 -3.040 224 2HD2 ASN 30 HD21 ASN 30 13.688 -0.184 -1.378 225 H LYS 31 HN LYS 31 9.997 2.388 -2.679 226 HA LYS 31 HA LYS 31 9.469 5.291 -2.936 227 1HB LYS 31 HB2 LYS 31 10.622 3.388 -5.042 228 2HB LYS 31 HB3 LYS 31 9.996 5.021 -5.426 229 1HG LYS 31 HG2 LYS 31 11.665 6.095 -3.996 230 2HG LYS 31 HG3 LYS 31 12.391 4.495 -3.598 231 1HD LYS 31 HD2 LYS 31 12.880 4.060 -5.954 232 2HD LYS 31 HD3 LYS 31 12.083 5.601 -6.443 233 1HE LYS 31 HE2 LYS 31 13.802 6.910 -5.120 234 2HE LYS 31 HE3 LYS 31 14.641 5.358 -4.709 235 1HZ LYS 31 HZ2 LYS 31 14.176 6.439 -7.442 236 2HZ LYS 31 HZ3 LYS 31 15.636 6.476 -6.578 237 3HZ LYS 31 HZ1 LYS 31 14.973 4.988 -7.061 238 H LYS 32 HN LYS 32 7.849 2.188 -2.849 239 HA LYS 32 HA LYS 32 5.762 3.261 -4.592 240 1HB LYS 32 HB2 LYS 32 5.559 1.449 -5.993 241 2HB LYS 32 HB3 LYS 32 7.266 1.978 -6.101 242 1HG LYS 32 HG2 LYS 32 7.859 0.125 -4.408 243 2HG LYS 32 HG3 LYS 32 6.181 -0.506 -4.641 244 1HD LYS 32 HD2 LYS 32 6.609 -0.589 -7.114 245 2HD LYS 32 HD3 LYS 32 8.326 -0.161 -6.796 246 1HE LYS 32 HE2 LYS 32 6.834 -2.683 -5.750 247 2HE LYS 32 HE3 LYS 32 8.080 -2.654 -7.063 248 1HZ LYS 32 HZ2 LYS 32 8.505 -1.898 -4.219 249 2HZ LYS 32 HZ3 LYS 32 8.980 -3.351 -4.961 250 3HZ LYS 32 HZ1 LYS 32 9.680 -1.880 -5.445 251 1HN ABA 33 HN ABA 33 3.693 2.278 -4.241 252 HA ABA 33 HA ABA 33 3.278 1.493 -1.526 253 1HB ABA 33 HB3 ABA 33 1.452 2.068 -3.911 254 2HB ABA 33 HB2 ABA 33 2.006 3.219 -2.659 255 1HG ABA 33 HG1 ABA 33 -0.158 2.640 -1.930 256 2HG ABA 33 HG2 ABA 33 0.076 0.870 -2.222 257 3HG ABA 33 HG3 ABA 33 0.999 1.683 -0.920 258 H ARG 34 HN ARG 34 2.383 -0.441 -0.802 259 HA ARG 34 HA ARG 34 2.098 -2.684 -2.668 260 1HB ARG 34 HB2 ARG 34 4.439 -2.576 -1.624 261 2HB ARG 34 HB3 ARG 34 3.692 -2.814 -0.021 262 1HG ARG 34 HG2 ARG 34 2.832 -5.028 -0.717 263 2HG ARG 34 HG3 ARG 34 3.379 -4.735 -2.400 264 1HD ARG 34 HD2 ARG 34 5.221 -4.911 0.080 265 2HD ARG 34 HD3 ARG 34 4.879 -6.289 -1.065 266 HE ARG 34 HE ARG 34 5.832 -3.904 -2.481 267 1HH1 ARG 34 HH12 ARG 34 6.954 -6.622 -0.448 268 2HH1 ARG 34 HH11 ARG 34 8.577 -6.580 -1.051 269 1HH2 ARG 34 HH22 ARG 34 8.025 -3.862 -3.275 270 2HH2 ARG 34 HH21 ARG 34 9.192 -4.991 -2.673 271 H CYS 35 HN CYS 35 0.980 -4.528 -1.269 272 HA CYS 35 HA CYS 35 -0.703 -3.521 0.822 273 1HB CYS 35 HB2 CYS 35 -1.817 -3.206 -1.584 274 2HB CYS 35 HB3 CYS 35 -2.131 -4.955 -1.481 275 H TYR 36 HN TYR 36 -1.563 -5.328 1.998 276 HA TYR 36 HA TYR 36 0.084 -7.771 1.761 277 1HB TYR 36 HB2 TYR 36 0.160 -5.505 3.809 278 2HB TYR 36 HB3 TYR 36 0.499 -7.179 4.411 279 HD1 TYR 36 HD1 TYR 36 2.120 -8.528 2.661 280 HD2 TYR 36 HD2 TYR 36 2.093 -4.299 3.394 281 HE1 TYR 36 HE1 TYR 36 4.534 -8.412 2.109 282 HE2 TYR 36 HE2 TYR 36 4.484 -4.165 2.799 283 HH TYR 36 HH TYR 36 6.345 -5.315 2.254 284 H SER 37 HN SER 37 -2.310 -8.060 0.997 285 HA SER 37 HA SER 37 -3.481 -9.674 3.039 286 1HB SER 37 HB2 SER 37 -4.618 -7.415 3.523 287 2HB SER 37 HB3 SER 37 -5.230 -7.435 1.830 288 HG SER 37 HG SER 37 -5.697 -9.374 3.858 No H/Q in entry = 288 Start of MODEL 17 1 HA PCA 1 HA PGL 1 -3.441 -8.442 -5.660 2 1HB PCA 1 HB2 PGL 1 -4.472 -5.650 -6.478 3 2HB PCA 1 HB3 PGL 1 -3.895 -6.975 -7.558 4 1HG PCA 1 HG2 PGL 1 -6.594 -6.524 -7.042 5 2HG PCA 1 HG3 PGL 1 -5.950 -8.221 -7.202 6 HN PCA 1 HN PGL 1 -4.786 -7.793 -3.532 7 H PHE 2 HN PHE 2 -1.705 -6.573 -6.561 8 HA PHE 2 HA PHE 2 -0.626 -5.102 -4.252 9 1HB PHE 2 HB2 PHE 2 0.886 -6.388 -6.628 10 2HB PHE 2 HB3 PHE 2 1.629 -5.384 -5.321 11 HD1 PHE 2 HD2 PHE 2 0.515 -6.368 -2.823 12 HD2 PHE 2 HD1 PHE 2 1.578 -8.570 -6.366 13 HE1 PHE 2 HE2 PHE 2 0.798 -8.418 -1.476 14 HE2 PHE 2 HE1 PHE 2 1.889 -10.605 -5.001 15 HZ PHE 2 HZ PHE 2 1.487 -10.534 -2.554 16 H THR 3 HN THR 3 0.428 -3.079 -4.891 17 HA THR 3 HA THR 3 -1.041 -1.736 -7.061 18 HB THR 3 HB THR 3 -0.660 0.287 -5.440 19 HG1 THR 3 HG1 THR 3 0.135 -0.176 -3.607 20 1HG2 THR 3 HG22 THR 3 -2.597 -2.008 -4.693 21 2HG2 THR 3 HG23 THR 3 -2.679 -0.313 -4.098 22 3HG2 THR 3 HG21 THR 3 -2.895 -0.658 -5.855 23 H ASN 4 HN ASN 4 0.189 0.330 -7.759 24 HA ASN 4 HA ASN 4 3.074 0.152 -7.625 25 1HB ASN 4 HB2 ASN 4 3.206 0.304 -10.201 26 2HB ASN 4 HB3 ASN 4 2.873 -1.294 -9.491 27 1HD2 ASN 4 HD22 ASN 4 -0.145 -1.816 -11.227 28 2HD2 ASN 4 HD21 ASN 4 1.114 -2.438 -10.214 29 H VAL 5 HN VAL 5 1.648 1.883 -6.246 30 HA VAL 5 HA VAL 5 1.693 4.436 -7.694 31 HB VAL 5 HB VAL 5 1.016 4.202 -4.742 32 1HG1 VAL 5 HG12 VAL 5 0.014 5.897 -7.148 33 2HG1 VAL 5 HG13 VAL 5 -0.624 6.002 -5.467 34 3HG1 VAL 5 HG11 VAL 5 1.073 6.479 -5.813 35 1HG2 VAL 5 HG23 VAL 5 -0.788 3.287 -7.054 36 2HG2 VAL 5 HG21 VAL 5 -0.228 2.342 -5.605 37 3HG2 VAL 5 HG22 VAL 5 -1.354 3.725 -5.400 38 H SER 6 HN SER 6 2.696 6.165 -5.778 39 HA SER 6 HA SER 6 5.395 5.169 -5.110 40 1HB SER 6 HB2 SER 6 6.081 7.622 -5.070 41 2HB SER 6 HB3 SER 6 5.745 6.871 -6.657 42 HG SER 6 HG SER 6 4.821 8.916 -6.443 43 H CYS 7 HN CYS 7 5.982 5.063 -3.099 44 HA CYS 7 HA CYS 7 4.451 6.538 -0.996 45 1HB CYS 7 HB2 CYS 7 3.317 4.555 -1.009 46 2HB CYS 7 HB3 CYS 7 4.757 3.548 -1.058 47 H THR 8 HN THR 8 5.604 6.985 0.837 48 HA THR 8 HA THR 8 8.458 6.299 0.995 49 HB THR 8 HB THR 8 8.911 8.611 1.959 50 HG1 THR 8 HG1 THR 8 6.700 9.215 2.124 51 1HG2 THR 8 HG21 THR 8 9.692 7.827 -0.287 52 2HG2 THR 8 HG22 THR 8 8.171 8.437 -1.038 53 3HG2 THR 8 HG23 THR 8 9.319 9.590 -0.267 54 H THR 9 HN THR 9 5.520 7.603 2.629 55 HA THR 9 HA THR 9 6.407 6.549 5.220 56 HB THR 9 HB THR 9 4.462 8.010 6.077 57 HG1 THR 9 HG1 THR 9 4.804 9.063 3.457 58 1HG2 THR 9 HG22 THR 9 6.890 8.547 6.293 59 2HG2 THR 9 HG23 THR 9 6.861 9.347 4.673 60 3HG2 THR 9 HG21 THR 9 5.878 10.017 6.032 61 H SER 10 HN SER 10 5.445 4.829 6.124 62 HA SER 10 HA SER 10 3.359 3.409 4.725 63 1HB SER 10 HB2 SER 10 3.879 1.583 6.418 64 2HB SER 10 HB3 SER 10 5.228 2.087 5.351 65 HG SER 10 HG SER 10 4.816 2.978 8.005 66 H LYS 11 HN LYS 11 1.775 5.069 5.090 67 HA LYS 11 HA LYS 11 -0.114 4.461 6.934 68 1HB LYS 11 HB2 LYS 11 1.764 6.279 8.178 69 2HB LYS 11 HB3 LYS 11 0.270 7.207 7.908 70 1HG LYS 11 HG2 LYS 11 0.462 4.489 9.343 71 2HG LYS 11 HG3 LYS 11 0.324 6.099 10.124 72 1HD LYS 11 HD2 LYS 11 -1.934 6.425 9.112 73 2HD LYS 11 HD3 LYS 11 -1.797 4.857 8.249 74 1HE LYS 11 HE2 LYS 11 -3.215 4.568 10.234 75 2HE LYS 11 HE3 LYS 11 -1.681 3.630 10.440 76 1HZ LYS 11 HZ3 LYS 11 -0.840 5.440 11.791 77 2HZ LYS 11 HZ1 LYS 11 -2.296 6.296 11.606 78 3HZ LYS 11 HZ2 LYS 11 -2.284 4.806 12.422 79 H GLU 12 HN GLU 12 1.394 6.808 4.702 80 HA GLU 12 HA GLU 12 -0.688 8.307 3.914 81 1HB GLU 12 HB2 GLU 12 1.907 8.219 3.531 82 2HB GLU 12 HB3 GLU 12 1.559 7.394 2.013 83 1HG GLU 12 HG2 GLU 12 0.440 10.155 2.901 84 2HG GLU 12 HG3 GLU 12 1.924 9.921 1.909 85 1HN ABA 13 HN ABA 13 0.237 5.094 2.651 86 HA ABA 13 HA ABA 13 -1.731 5.196 0.467 87 1HB ABA 13 HB3 ABA 13 0.578 5.015 -0.204 88 2HB ABA 13 HB2 ABA 13 -0.309 3.530 -0.592 89 1HG ABA 13 HG1 ABA 13 0.800 2.385 1.401 90 2HG ABA 13 HG2 ABA 13 1.991 3.147 0.262 91 3HG ABA 13 HG3 ABA 13 1.596 3.961 1.818 92 H TRP 14 HN TRP 14 -2.514 4.601 3.243 93 HA TRP 14 HA TRP 14 -3.253 1.802 3.255 94 1HB TRP 14 HB2 TRP 14 -3.603 4.123 5.236 95 2HB TRP 14 HB3 TRP 14 -4.384 2.524 5.499 96 HD1 TRP 14 HD1 TRP 14 -0.617 3.054 4.349 97 HE1 TRP 14 HE1 TRP 14 0.722 1.465 5.764 98 HE3 TRP 14 HE3 TRP 14 -4.273 1.677 7.662 99 HZ2 TRP 14 HZ2 TRP 14 0.385 -0.101 8.112 100 HZ3 TRP 14 HZ3 TRP 14 -3.708 0.030 9.416 101 HH2 TRP 14 HH2 TRP 14 -1.420 -0.902 9.581 102 H SER 15 HN SER 15 -4.669 4.785 2.045 103 HA SER 15 HA SER 15 -7.370 3.794 2.012 104 1HB SER 15 HB2 SER 15 -7.848 6.053 0.962 105 2HB SER 15 HB3 SER 15 -7.154 6.102 2.614 106 HG SER 15 HG SER 15 -5.117 6.455 1.658 107 H VAL 16 HN VAL 16 -4.570 3.238 0.306 108 HA VAL 16 HA VAL 16 -5.749 3.070 -2.386 109 HB VAL 16 HB VAL 16 -2.886 2.519 -1.435 110 1HG1 VAL 16 HG12 VAL 16 -3.610 1.435 -3.670 111 2HG1 VAL 16 HG13 VAL 16 -3.982 3.095 -4.274 112 3HG1 VAL 16 HG11 VAL 16 -2.294 2.644 -3.804 113 1HG2 VAL 16 HG22 VAL 16 -4.168 5.058 -2.649 114 2HG2 VAL 16 HG23 VAL 16 -3.489 4.897 -0.986 115 3HG2 VAL 16 HG21 VAL 16 -2.403 4.796 -2.415 116 H CYS 17 HN CYS 17 -4.477 0.974 0.269 117 HA CYS 17 HA CYS 17 -5.090 -1.515 -0.939 118 1HB CYS 17 HB2 CYS 17 -4.720 -0.487 1.941 119 2HB CYS 17 HB3 CYS 17 -5.107 -2.200 1.651 120 H GLN 18 HN GLN 18 -7.163 0.910 0.559 121 HA GLN 18 HA GLN 18 -9.240 -0.850 1.368 122 1HB GLN 18 HB2 GLN 18 -8.340 1.160 2.559 123 2HB GLN 18 HB3 GLN 18 -9.021 2.228 1.314 124 1HG GLN 18 HG2 GLN 18 -10.685 0.143 2.836 125 2HG GLN 18 HG3 GLN 18 -10.266 1.735 3.595 126 1HE2 GLN 18 HE22 GLN 18 -12.284 3.707 1.243 127 2HE2 GLN 18 HE21 GLN 18 -10.700 3.701 1.942 128 H ARG 19 HN ARG 19 -8.753 1.681 -1.076 129 HA ARG 19 HA ARG 19 -11.361 1.434 -2.205 130 1HB ARG 19 HB2 ARG 19 -11.136 3.485 -2.915 131 2HB ARG 19 HB3 ARG 19 -9.625 3.497 -1.967 132 1HG ARG 19 HG2 ARG 19 -9.097 4.537 -3.899 133 2HG ARG 19 HG3 ARG 19 -8.389 2.921 -4.183 134 1HD ARG 19 HD2 ARG 19 -9.943 2.447 -5.938 135 2HD ARG 19 HD3 ARG 19 -11.259 3.427 -5.149 136 HE ARG 19 HE ARG 19 -9.345 5.318 -5.832 137 1HH1 ARG 19 HH12 ARG 19 -11.315 2.906 -7.589 138 2HH1 ARG 19 HH11 ARG 19 -11.516 3.890 -9.001 139 1HH2 ARG 19 HH22 ARG 19 -9.597 6.620 -7.780 140 2HH2 ARG 19 HH21 ARG 19 -10.531 6.018 -9.109 141 H LEU 20 HN LEU 20 -8.272 -0.059 -2.993 142 HA LEU 20 HA LEU 20 -9.006 -0.895 -5.669 143 1HB LEU 20 HB2 LEU 20 -6.622 -1.158 -3.831 144 2HB LEU 20 HB3 LEU 20 -6.756 -2.375 -5.130 145 HG LEU 20 HG LEU 20 -5.294 -0.484 -5.566 146 1HD1 LEU 20 HD13 LEU 20 -6.183 -2.022 -7.336 147 2HD1 LEU 20 HD11 LEU 20 -7.536 -0.870 -7.655 148 3HD1 LEU 20 HD12 LEU 20 -5.832 -0.375 -7.980 149 1HD2 LEU 20 HD22 LEU 20 -6.666 1.459 -4.754 150 2HD2 LEU 20 HD23 LEU 20 -6.111 1.672 -6.452 151 3HD2 LEU 20 HD21 LEU 20 -7.819 1.208 -6.117 152 H HIS 21 HN HIS 21 -8.070 -2.612 -2.601 153 HA HIS 21 HA HIS 21 -10.002 -4.743 -3.234 154 1HB HIS 21 HB2 HIS 21 -8.737 -5.933 -1.229 155 2HB HIS 21 HB3 HIS 21 -8.218 -5.994 -2.927 156 HD1 HIS 21 HD1 HIS 21 -6.597 -6.419 -0.219 157 HD2 HIS 21 HD2 HIS 21 -6.072 -3.532 -3.224 158 HE1 HIS 21 HE1 HIS 21 -4.121 -5.883 -0.413 159 H ASN 22 HN ASN 22 -9.133 -4.470 0.030 160 HA ASN 22 HA ASN 22 -11.089 -2.789 1.056 161 1HB ASN 22 HB2 ASN 22 -12.922 -4.372 1.780 162 2HB ASN 22 HB3 ASN 22 -12.905 -4.046 0.038 163 1HD2 ASN 22 HD22 ASN 22 -12.854 -7.882 1.316 164 2HD2 ASN 22 HD21 ASN 22 -13.161 -6.516 2.336 165 H THR 23 HN THR 23 -8.689 -2.900 1.926 166 HA THR 23 HA THR 23 -8.855 -4.276 4.461 167 HB THR 23 HB THR 23 -7.754 -5.887 2.818 168 HG1 THR 23 HG1 THR 23 -7.528 -6.035 5.012 169 1HG2 THR 23 HG21 THR 23 -6.343 -4.152 1.591 170 2HG2 THR 23 HG22 THR 23 -5.331 -4.003 3.102 171 3HG2 THR 23 HG23 THR 23 -5.416 -5.559 2.220 172 H SER 24 HN SER 24 -6.586 -3.573 5.598 173 HA SER 24 HA SER 24 -6.117 -0.709 5.067 174 1HB SER 24 HB2 SER 24 -6.603 -1.997 7.829 175 2HB SER 24 HB3 SER 24 -6.061 -0.296 7.542 176 HG SER 24 HG SER 24 -8.286 -0.535 7.893 177 H ARG 25 HN ARG 25 -4.927 -3.942 5.530 178 HA ARG 25 HA ARG 25 -2.419 -3.152 6.774 179 1HB ARG 25 HB2 ARG 25 -3.645 -5.896 6.085 180 2HB ARG 25 HB3 ARG 25 -1.995 -5.658 6.759 181 1HG ARG 25 HG2 ARG 25 -3.382 -6.314 8.543 182 2HG ARG 25 HG3 ARG 25 -2.909 -4.604 8.795 183 1HD ARG 25 HD2 ARG 25 -5.276 -5.048 9.473 184 2HD ARG 25 HD3 ARG 25 -5.201 -3.846 8.146 185 HE ARG 25 HE ARG 25 -5.910 -5.509 6.520 186 1HH1 ARG 25 HH22 ARG 25 -6.048 -6.712 9.902 187 2HH1 ARG 25 HH21 ARG 25 -7.086 -8.046 9.519 188 1HH2 ARG 25 HH12 ARG 25 -7.329 -7.299 6.057 189 2HH2 ARG 25 HH11 ARG 25 -7.819 -8.383 7.317 190 H GLY 26 HN GLY 26 -0.859 -2.528 5.551 191 1HA GLY 26 HA1 GLY 26 0.293 -3.526 3.337 192 2HA GLY 26 HA2 GLY 26 -1.104 -2.555 2.721 193 H LYS 27 HN LYS 27 1.991 -2.204 2.812 194 HA LYS 27 HA LYS 27 2.156 0.431 4.100 195 1HB LYS 27 HB2 LYS 27 4.237 -1.849 4.295 196 2HB LYS 27 HB3 LYS 27 4.375 -0.207 5.014 197 1HG LYS 27 HG2 LYS 27 2.424 -0.743 6.512 198 2HG LYS 27 HG3 LYS 27 2.346 -2.387 5.773 199 1HD LYS 27 HD2 LYS 27 4.695 -2.835 6.508 200 2HD LYS 27 HD3 LYS 27 4.719 -1.240 7.353 201 1HE LYS 27 HE2 LYS 27 2.793 -1.995 8.807 202 2HE LYS 27 HE3 LYS 27 2.768 -3.586 7.937 203 1HZ LYS 27 HZ3 LYS 27 5.054 -2.487 9.492 204 2HZ LYS 27 HZ1 LYS 27 3.966 -3.691 10.006 205 3HZ LYS 27 HZ2 LYS 27 5.004 -3.988 8.692 206 H CYS 28 HN CYS 28 5.153 -0.003 3.262 207 HA CYS 28 HA CYS 28 5.055 -0.404 0.445 208 1HB CYS 28 HB2 CYS 28 5.990 1.900 -0.166 209 2HB CYS 28 HB3 CYS 28 4.282 1.827 0.319 210 H MET 29 HN MET 29 7.339 0.126 -0.489 211 HA MET 29 HA MET 29 9.309 -1.133 1.210 212 1HB MET 29 HB2 MET 29 8.566 -1.978 -1.085 213 2HB MET 29 HB3 MET 29 9.394 -0.578 -1.804 214 1HG MET 29 HG2 MET 29 11.543 -1.432 -0.630 215 2HG MET 29 HG3 MET 29 10.583 -2.833 -0.054 216 1HE MET 29 HE1 MET 29 12.359 -4.382 -0.967 217 2HE MET 29 HE2 MET 29 12.981 -4.408 -2.654 218 3HE MET 29 HE3 MET 29 13.317 -2.995 -1.592 219 H ASN 30 HN ASN 30 10.990 0.444 -1.076 220 HA ASN 30 HA ASN 30 11.704 2.701 0.540 221 1HB ASN 30 HB2 ASN 30 13.543 3.077 -1.037 222 2HB ASN 30 HB3 ASN 30 13.511 1.434 -0.345 223 1HD2 ASN 30 HD22 ASN 30 14.330 1.371 -4.061 224 2HD2 ASN 30 HD21 ASN 30 14.891 2.351 -2.742 225 H LYS 31 HN LYS 31 10.058 2.205 -2.564 226 HA LYS 31 HA LYS 31 9.606 5.112 -2.838 227 1HB LYS 31 HB2 LYS 31 10.784 3.174 -4.902 228 2HB LYS 31 HB3 LYS 31 10.243 4.849 -5.283 229 1HG LYS 31 HG2 LYS 31 11.923 5.825 -3.800 230 2HG LYS 31 HG3 LYS 31 12.495 4.193 -3.312 231 1HD LYS 31 HD2 LYS 31 13.116 3.665 -5.644 232 2HD LYS 31 HD3 LYS 31 12.624 5.324 -6.164 233 1HE LYS 31 HE2 LYS 31 14.362 6.327 -4.640 234 2HE LYS 31 HE3 LYS 31 14.829 4.669 -4.082 235 1HZ LYS 31 HZ1 LYS 31 15.454 4.135 -6.335 236 2HZ LYS 31 HZ2 LYS 31 15.024 5.693 -6.862 237 3HZ LYS 31 HZ3 LYS 31 16.303 5.484 -5.757 238 H LYS 32 HN LYS 32 7.916 2.049 -2.788 239 HA LYS 32 HA LYS 32 5.909 3.171 -4.588 240 1HB LYS 32 HB2 LYS 32 5.692 1.369 -5.981 241 2HB LYS 32 HB3 LYS 32 7.406 1.850 -6.061 242 1HG LYS 32 HG2 LYS 32 7.979 -0.027 -4.412 243 2HG LYS 32 HG3 LYS 32 6.269 -0.603 -4.561 244 1HD LYS 32 HD2 LYS 32 6.548 -0.793 -7.012 245 2HD LYS 32 HD3 LYS 32 8.274 -0.302 -6.840 246 1HE LYS 32 HE2 LYS 32 8.696 -2.336 -5.372 247 2HE LYS 32 HE3 LYS 32 6.959 -2.816 -5.551 248 1HZ LYS 32 HZ2 LYS 32 7.329 -3.021 -7.926 249 2HZ LYS 32 HZ3 LYS 32 8.964 -2.597 -7.737 250 3HZ LYS 32 HZ1 LYS 32 8.368 -4.025 -7.035 251 1HN ABA 33 HN ABA 33 3.785 2.230 -4.310 252 HA ABA 33 HA ABA 33 3.235 1.432 -1.631 253 1HB ABA 33 HB3 ABA 33 1.459 1.869 -4.072 254 2HB ABA 33 HB2 ABA 33 1.938 3.077 -2.831 255 1HG ABA 33 HG1 ABA 33 0.898 1.707 -1.044 256 2HG ABA 33 HG2 ABA 33 -0.288 2.308 -2.278 257 3HG ABA 33 HG3 ABA 33 0.209 0.581 -2.232 258 H ARG 34 HN ARG 34 2.594 -0.578 -0.939 259 HA ARG 34 HA ARG 34 2.048 -2.763 -2.802 260 1HB ARG 34 HB2 ARG 34 4.346 -2.640 -0.842 261 2HB ARG 34 HB3 ARG 34 3.376 -4.147 -0.786 262 1HG ARG 34 HG2 ARG 34 3.595 -4.448 -3.220 263 2HG ARG 34 HG3 ARG 34 4.724 -3.052 -3.311 264 1HD ARG 34 HD2 ARG 34 6.399 -4.193 -1.939 265 2HD ARG 34 HD3 ARG 34 5.229 -5.475 -1.442 266 HE ARG 34 HE ARG 34 6.645 -5.208 -4.069 267 1HH1 ARG 34 HH22 ARG 34 4.085 -6.916 -2.229 268 2HH1 ARG 34 HH21 ARG 34 3.986 -8.236 -3.347 269 1HH2 ARG 34 HH12 ARG 34 6.492 -6.996 -5.544 270 2HH2 ARG 34 HH11 ARG 34 5.372 -8.283 -5.250 271 H CYS 35 HN CYS 35 1.250 -4.647 -1.115 272 HA CYS 35 HA CYS 35 -0.238 -3.541 1.009 273 1HB CYS 35 HB2 CYS 35 -1.702 -3.313 -1.212 274 2HB CYS 35 HB3 CYS 35 -1.968 -5.055 -1.021 275 H TYR 36 HN TYR 36 -0.998 -5.285 2.368 276 HA TYR 36 HA TYR 36 0.658 -7.712 2.136 277 1HB TYR 36 HB2 TYR 36 0.773 -5.376 4.108 278 2HB TYR 36 HB3 TYR 36 1.409 -6.986 4.621 279 HD1 TYR 36 HD2 TYR 36 2.871 -7.958 2.256 280 HD2 TYR 36 HD1 TYR 36 2.538 -3.976 3.836 281 HE1 TYR 36 HE2 TYR 36 5.019 -7.350 1.189 282 HE2 TYR 36 HE1 TYR 36 4.671 -3.363 2.760 283 HH TYR 36 HH TYR 36 6.548 -5.742 0.838 284 H SER 37 HN SER 37 -1.786 -8.086 1.629 285 HA SER 37 HA SER 37 -3.111 -8.951 4.131 286 1HB SER 37 HB2 SER 37 -5.260 -8.884 2.807 287 2HB SER 37 HB3 SER 37 -4.530 -7.279 3.158 288 HG SER 37 HG SER 37 -3.658 -7.290 1.074 No H/Q in entry = 288 Start of MODEL 18 1 HA PCA 1 HA PGL 1 -3.264 -8.621 -4.594 2 1HB PCA 1 HB2 PGL 1 -3.767 -6.260 -6.511 3 2HB PCA 1 HB3 PGL 1 -3.381 -7.976 -6.914 4 1HG PCA 1 HG2 PGL 1 -5.965 -6.872 -6.965 5 2HG PCA 1 HG3 PGL 1 -5.669 -8.624 -6.551 6 HN PCA 1 HN PGL 1 -4.759 -7.222 -3.032 7 H PHE 2 HN PHE 2 -1.436 -6.798 -6.011 8 HA PHE 2 HA PHE 2 -0.337 -5.136 -3.837 9 1HB PHE 2 HB2 PHE 2 1.090 -6.382 -6.288 10 2HB PHE 2 HB3 PHE 2 1.862 -5.399 -4.981 11 HD1 PHE 2 HD1 PHE 2 0.984 -6.415 -2.482 12 HD2 PHE 2 HD2 PHE 2 1.655 -8.606 -6.121 13 HE1 PHE 2 HE1 PHE 2 1.348 -8.486 -1.176 14 HE2 PHE 2 HE2 PHE 2 2.027 -10.666 -4.808 15 HZ PHE 2 HZ PHE 2 1.864 -10.612 -2.334 16 H THR 3 HN THR 3 0.350 -2.999 -4.456 17 HA THR 3 HA THR 3 -1.168 -1.934 -6.718 18 HB THR 3 HB THR 3 -1.639 -0.051 -5.595 19 HG1 THR 3 HG1 THR 3 -0.476 0.607 -3.690 20 1HG2 THR 3 HG22 THR 3 -2.577 -2.039 -4.276 21 2HG2 THR 3 HG23 THR 3 -1.125 -1.969 -3.210 22 3HG2 THR 3 HG21 THR 3 -2.272 -0.603 -3.252 23 H ASN 4 HN ASN 4 -0.013 0.272 -7.544 24 HA ASN 4 HA ASN 4 2.868 0.069 -7.692 25 1HB ASN 4 HB2 ASN 4 2.772 0.214 -10.260 26 2HB ASN 4 HB3 ASN 4 2.457 -1.385 -9.541 27 1HD2 ASN 4 HD22 ASN 4 -0.785 -1.778 -10.885 28 2HD2 ASN 4 HD21 ASN 4 0.488 -2.422 -9.904 29 H VAL 5 HN VAL 5 1.339 1.815 -6.220 30 HA VAL 5 HA VAL 5 1.330 4.346 -7.710 31 HB VAL 5 HB VAL 5 0.720 4.147 -4.740 32 1HG1 VAL 5 HG11 VAL 5 -0.374 5.802 -7.125 33 2HG1 VAL 5 HG12 VAL 5 -0.939 5.917 -5.417 34 3HG1 VAL 5 HG13 VAL 5 0.730 6.415 -5.836 35 1HG2 VAL 5 HG21 VAL 5 -1.070 3.181 -7.051 36 2HG2 VAL 5 HG22 VAL 5 -0.501 2.264 -5.589 37 3HG2 VAL 5 HG23 VAL 5 -1.655 3.631 -5.408 38 H SER 6 HN SER 6 2.327 6.151 -5.853 39 HA SER 6 HA SER 6 5.107 5.282 -5.342 40 1HB SER 6 HB2 SER 6 5.650 7.774 -5.305 41 2HB SER 6 HB3 SER 6 5.253 7.030 -6.878 42 HG SER 6 HG SER 6 4.222 9.013 -6.560 43 H CYS 7 HN CYS 7 5.880 5.274 -3.335 44 HA CYS 7 HA CYS 7 4.242 6.527 -1.151 45 1HB CYS 7 HB2 CYS 7 3.441 4.377 -1.218 46 2HB CYS 7 HB3 CYS 7 5.034 3.628 -1.201 47 H THR 8 HN THR 8 5.376 7.099 0.640 48 HA THR 8 HA THR 8 8.286 6.795 0.769 49 HB THR 8 HB THR 8 8.431 9.126 1.807 50 HG1 THR 8 HG1 THR 8 5.975 9.388 0.399 51 1HG2 THR 8 HG22 THR 8 9.324 8.511 -0.457 52 2HG2 THR 8 HG23 THR 8 7.736 8.936 -1.198 53 3HG2 THR 8 HG21 THR 8 8.720 10.207 -0.387 54 H THR 9 HN THR 9 5.194 7.641 2.436 55 HA THR 9 HA THR 9 6.287 6.762 5.014 56 HB THR 9 HB THR 9 4.277 8.029 5.944 57 HG1 THR 9 HG1 THR 9 3.088 8.137 4.021 58 1HG2 THR 9 HG21 THR 9 6.608 8.919 5.918 59 2HG2 THR 9 HG22 THR 9 6.344 9.603 4.268 60 3HG2 THR 9 HG23 THR 9 5.380 10.219 5.660 61 H SER 10 HN SER 10 5.374 5.108 6.184 62 HA SER 10 HA SER 10 3.213 3.551 4.999 63 1HB SER 10 HB2 SER 10 3.696 1.870 6.785 64 2HB SER 10 HB3 SER 10 5.045 2.201 5.650 65 HG SER 10 HG SER 10 5.942 3.571 7.202 66 H LYS 11 HN LYS 11 1.616 4.997 5.157 67 HA LYS 11 HA LYS 11 -0.138 4.838 7.252 68 1HB LYS 11 HB2 LYS 11 1.378 6.594 8.374 69 2HB LYS 11 HB3 LYS 11 0.958 7.721 7.054 70 1HG LYS 11 HG2 LYS 11 -1.495 7.503 7.740 71 2HG LYS 11 HG3 LYS 11 -0.993 6.314 8.996 72 1HD LYS 11 HD2 LYS 11 0.457 8.150 10.026 73 2HD LYS 11 HD3 LYS 11 -0.287 9.307 8.860 74 1HE LYS 11 HE2 LYS 11 -2.576 8.756 9.816 75 2HE LYS 11 HE3 LYS 11 -1.794 7.613 10.983 76 1HZ LYS 11 HZ3 LYS 11 -0.517 9.504 11.827 77 2HZ LYS 11 HZ1 LYS 11 -1.378 10.548 10.799 78 3HZ LYS 11 HZ2 LYS 11 -2.195 9.689 12.017 79 H GLU 12 HN GLU 12 1.186 6.629 4.451 80 HA GLU 12 HA GLU 12 -0.971 7.573 3.168 81 1HB GLU 12 HB2 GLU 12 1.643 7.648 2.959 82 2HB GLU 12 HB3 GLU 12 1.505 6.366 1.765 83 1HG GLU 12 HG2 GLU 12 0.015 9.087 1.617 84 2HG GLU 12 HG3 GLU 12 1.656 8.804 0.935 85 1HN ABA 13 HN ABA 13 0.097 4.245 3.293 86 HA ABA 13 HA ABA 13 -1.002 3.443 0.751 87 1HB ABA 13 HB3 ABA 13 0.212 1.382 1.089 88 2HB ABA 13 HB2 ABA 13 0.436 1.726 2.850 89 1HG ABA 13 HG1 ABA 13 2.465 2.126 1.500 90 2HG ABA 13 HG2 ABA 13 1.640 3.428 0.561 91 3HG ABA 13 HG3 ABA 13 1.921 3.628 2.332 92 H TRP 14 HN TRP 14 -2.412 3.722 3.744 93 HA TRP 14 HA TRP 14 -4.053 1.364 3.853 94 1HB TRP 14 HB2 TRP 14 -3.704 3.950 5.418 95 2HB TRP 14 HB3 TRP 14 -5.228 3.012 5.642 96 HD1 TRP 14 HD1 TRP 14 -5.278 1.038 7.113 97 HE1 TRP 14 HE1 TRP 14 -3.599 -0.493 8.230 98 HE3 TRP 14 HE3 TRP 14 -0.986 3.065 5.248 99 HZ2 TRP 14 HZ2 TRP 14 -0.758 -0.605 8.636 100 HZ3 TRP 14 HZ3 TRP 14 1.176 2.129 5.958 101 HH2 TRP 14 HH2 TRP 14 1.306 0.371 7.673 102 H SER 15 HN SER 15 -4.334 4.659 2.414 103 HA SER 15 HA SER 15 -7.104 4.227 1.664 104 1HB SER 15 HB2 SER 15 -6.929 6.575 0.760 105 2HB SER 15 HB3 SER 15 -6.591 6.425 2.513 106 HG SER 15 HG SER 15 -4.370 6.416 2.005 107 H VAL 16 HN VAL 16 -4.219 3.016 0.532 108 HA VAL 16 HA VAL 16 -5.124 3.060 -2.275 109 HB VAL 16 HB VAL 16 -2.455 2.069 -1.176 110 1HG1 VAL 16 HG12 VAL 16 -3.165 1.195 -3.474 111 2HG1 VAL 16 HG13 VAL 16 -3.417 2.892 -4.009 112 3HG1 VAL 16 HG11 VAL 16 -1.769 2.315 -3.552 113 1HG2 VAL 16 HG23 VAL 16 -3.277 4.841 -2.272 114 2HG2 VAL 16 HG21 VAL 16 -2.637 4.472 -0.625 115 3HG2 VAL 16 HG22 VAL 16 -1.580 4.280 -2.062 116 H CYS 17 HN CYS 17 -4.791 0.895 0.614 117 HA CYS 17 HA CYS 17 -5.292 -1.500 -0.934 118 1HB CYS 17 HB2 CYS 17 -5.066 -0.848 2.066 119 2HB CYS 17 HB3 CYS 17 -5.392 -2.498 1.451 120 H GLN 18 HN GLN 18 -7.235 0.998 0.583 121 HA GLN 18 HA GLN 18 -9.618 -0.640 0.782 122 1HB GLN 18 HB2 GLN 18 -9.150 2.332 1.310 123 2HB GLN 18 HB3 GLN 18 -10.721 1.463 1.566 124 1HG GLN 18 HG2 GLN 18 -9.719 -0.031 3.214 125 2HG GLN 18 HG3 GLN 18 -8.091 0.681 2.912 126 1HE2 GLN 18 HE22 GLN 18 -9.045 2.456 5.947 127 2HE2 GLN 18 HE21 GLN 18 -8.366 0.960 5.400 128 H ARG 19 HN ARG 19 -8.125 1.701 -1.391 129 HA ARG 19 HA ARG 19 -10.521 2.001 -3.021 130 1HB ARG 19 HB2 ARG 19 -7.733 3.215 -3.314 131 2HB ARG 19 HB3 ARG 19 -9.108 3.553 -4.422 132 1HG ARG 19 HG2 ARG 19 -8.952 4.223 -1.432 133 2HG ARG 19 HG3 ARG 19 -8.866 5.359 -2.821 134 1HD ARG 19 HD2 ARG 19 -11.282 3.719 -1.835 135 2HD ARG 19 HD3 ARG 19 -11.083 5.523 -1.803 136 HE ARG 19 HE ARG 19 -10.816 5.004 -4.491 137 1HH1 ARG 19 HH12 ARG 19 -13.296 3.922 -2.151 138 2HH1 ARG 19 HH11 ARG 19 -14.531 3.731 -3.353 139 1HH2 ARG 19 HH22 ARG 19 -12.490 4.732 -6.081 140 2HH2 ARG 19 HH21 ARG 19 -14.068 4.196 -5.605 141 H LEU 20 HN LEU 20 -7.667 -0.083 -3.084 142 HA LEU 20 HA LEU 20 -8.228 -0.931 -5.816 143 1HB LEU 20 HB2 LEU 20 -5.892 -0.661 -5.341 144 2HB LEU 20 HB3 LEU 20 -6.014 -1.620 -3.851 145 HG LEU 20 HG LEU 20 -6.559 -3.661 -5.201 146 1HD1 LEU 20 HD13 LEU 20 -7.568 -2.623 -7.257 147 2HD1 LEU 20 HD11 LEU 20 -5.969 -1.902 -7.679 148 3HD1 LEU 20 HD12 LEU 20 -6.186 -3.693 -7.678 149 1HD2 LEU 20 HD22 LEU 20 -4.258 -3.294 -4.523 150 2HD2 LEU 20 HD23 LEU 20 -4.310 -4.064 -6.149 151 3HD2 LEU 20 HD21 LEU 20 -3.932 -2.307 -6.005 152 H HIS 21 HN HIS 21 -8.203 -2.268 -2.391 153 HA HIS 21 HA HIS 21 -10.222 -4.215 -3.242 154 1HB HIS 21 HB2 HIS 21 -9.193 -5.725 -1.367 155 2HB HIS 21 HB3 HIS 21 -8.583 -5.714 -3.035 156 HD1 HIS 21 HD1 HIS 21 -7.087 -6.756 -0.530 157 HD2 HIS 21 HD2 HIS 21 -6.171 -3.289 -2.712 158 HE1 HIS 21 HE1 HIS 21 -4.567 -6.347 -0.422 159 H ASN 22 HN ASN 22 -9.324 -4.247 0.038 160 HA ASN 22 HA ASN 22 -10.979 -2.267 1.080 161 1HB ASN 22 HB2 ASN 22 -12.963 -3.724 1.899 162 2HB ASN 22 HB3 ASN 22 -12.981 -3.188 0.208 163 1HD2 ASN 22 HD22 ASN 22 -12.740 -7.244 1.053 164 2HD2 ASN 22 HD21 ASN 22 -12.480 -6.072 2.301 165 H THR 23 HN THR 23 -8.556 -2.706 1.906 166 HA THR 23 HA THR 23 -8.893 -4.085 4.439 167 HB THR 23 HB THR 23 -8.164 -5.850 2.810 168 HG1 THR 23 HG1 THR 23 -7.889 -5.940 5.025 169 1HG2 THR 23 HG21 THR 23 -6.530 -4.523 1.447 170 2HG2 THR 23 HG22 THR 23 -5.443 -4.381 2.895 171 3HG2 THR 23 HG23 THR 23 -5.795 -5.995 2.199 172 H SER 24 HN SER 24 -6.604 -3.892 5.653 173 HA SER 24 HA SER 24 -5.734 -1.134 5.565 174 1HB SER 24 HB2 SER 24 -6.506 -0.668 7.913 175 2HB SER 24 HB3 SER 24 -7.815 -0.758 6.700 176 HG SER 24 HG SER 24 -7.127 -2.611 8.699 177 H ARG 25 HN ARG 25 -4.525 -3.758 5.042 178 HA ARG 25 HA ARG 25 -2.350 -3.349 6.902 179 1HB ARG 25 HB2 ARG 25 -1.694 -5.817 6.695 180 2HB ARG 25 HB3 ARG 25 -2.864 -5.328 7.939 181 1HG ARG 25 HG2 ARG 25 -3.957 -6.344 5.282 182 2HG ARG 25 HG3 ARG 25 -3.248 -7.489 6.474 183 1HD ARG 25 HD2 ARG 25 -4.751 -6.687 8.265 184 2HD ARG 25 HD3 ARG 25 -5.495 -5.496 7.127 185 HE ARG 25 HE ARG 25 -6.123 -7.467 5.643 186 1HH1 ARG 25 HH12 ARG 25 -5.754 -7.981 9.171 187 2HH1 ARG 25 HH11 ARG 25 -6.864 -9.312 9.223 188 1HH2 ARG 25 HH22 ARG 25 -7.597 -9.262 5.750 189 2HH2 ARG 25 HH21 ARG 25 -7.918 -10.047 7.262 190 H GLY 26 HN GLY 26 -0.807 -2.644 5.669 191 1HA GLY 26 HA1 GLY 26 0.144 -3.551 3.289 192 2HA GLY 26 HA2 GLY 26 -1.122 -2.302 2.912 193 H LYS 27 HN LYS 27 2.047 -2.474 2.901 194 HA LYS 27 HA LYS 27 2.602 0.113 4.066 195 1HB LYS 27 HB2 LYS 27 3.633 -0.711 5.918 196 2HB LYS 27 HB3 LYS 27 3.172 -2.372 5.455 197 1HG LYS 27 HG2 LYS 27 5.296 -2.605 4.139 198 2HG LYS 27 HG3 LYS 27 5.801 -0.966 4.686 199 1HD LYS 27 HD2 LYS 27 5.175 -3.333 6.557 200 2HD LYS 27 HD3 LYS 27 6.805 -2.932 5.913 201 1HE LYS 27 HE2 LYS 27 6.708 -0.673 7.023 202 2HE LYS 27 HE3 LYS 27 5.104 -1.106 7.745 203 1HZ LYS 27 HZ2 LYS 27 7.667 -2.557 8.163 204 2HZ LYS 27 HZ3 LYS 27 6.923 -1.487 9.252 205 3HZ LYS 27 HZ1 LYS 27 6.166 -2.955 8.851 206 H CYS 28 HN CYS 28 4.717 0.852 3.099 207 HA CYS 28 HA CYS 28 5.167 -0.389 0.451 208 1HB CYS 28 HB2 CYS 28 5.908 1.877 -0.292 209 2HB CYS 28 HB3 CYS 28 4.239 1.826 0.311 210 H MET 29 HN MET 29 7.392 0.140 -0.426 211 HA MET 29 HA MET 29 9.410 -0.712 1.487 212 1HB MET 29 HB2 MET 29 8.759 -1.930 -0.725 213 2HB MET 29 HB3 MET 29 9.756 -0.704 -1.539 214 1HG MET 29 HG2 MET 29 11.652 -1.410 0.115 215 2HG MET 29 HG3 MET 29 10.519 -2.665 0.721 216 1HE MET 29 HE2 MET 29 12.082 -4.561 0.401 217 2HE MET 29 HE3 MET 29 13.083 -4.879 -1.056 218 3HE MET 29 HE1 MET 29 13.350 -3.387 -0.091 219 H ASN 30 HN ASN 30 11.002 0.621 -1.071 220 HA ASN 30 HA ASN 30 11.653 3.032 0.353 221 1HB ASN 30 HB2 ASN 30 13.464 3.332 -1.306 222 2HB ASN 30 HB3 ASN 30 13.500 1.784 -0.418 223 1HD2 ASN 30 HD22 ASN 30 14.424 1.074 -3.944 224 2HD2 ASN 30 HD21 ASN 30 15.019 2.079 -2.663 225 H LYS 31 HN LYS 31 9.898 2.256 -2.610 226 HA LYS 31 HA LYS 31 9.634 5.139 -3.252 227 1HB LYS 31 HB2 LYS 31 10.451 2.818 -5.067 228 2HB LYS 31 HB3 LYS 31 9.987 4.441 -5.681 229 1HG LYS 31 HG2 LYS 31 11.830 5.524 -4.549 230 2HG LYS 31 HG3 LYS 31 12.328 3.989 -3.760 231 1HD LYS 31 HD2 LYS 31 12.743 2.951 -5.991 232 2HD LYS 31 HD3 LYS 31 12.351 4.521 -6.785 233 1HE LYS 31 HE2 LYS 31 14.276 5.615 -5.601 234 2HE LYS 31 HE3 LYS 31 14.629 4.070 -4.725 235 1HZ LYS 31 HZ1 LYS 31 15.049 3.026 -6.843 236 2HZ LYS 31 HZ2 LYS 31 14.734 4.477 -7.668 237 3HZ LYS 31 HZ3 LYS 31 16.056 4.373 -6.606 238 H LYS 32 HN LYS 32 7.794 2.016 -3.074 239 HA LYS 32 HA LYS 32 5.655 3.325 -4.558 240 1HB LYS 32 HB2 LYS 32 5.333 1.643 -6.163 241 2HB LYS 32 HB3 LYS 32 7.002 2.238 -6.314 242 1HG LYS 32 HG2 LYS 32 7.358 0.035 -6.602 243 2HG LYS 32 HG3 LYS 32 7.616 0.136 -4.814 244 1HD LYS 32 HD2 LYS 32 5.298 -0.816 -4.496 245 2HD LYS 32 HD3 LYS 32 5.012 -0.722 -6.269 246 1HE LYS 32 HE2 LYS 32 6.790 -2.460 -6.640 247 2HE LYS 32 HE3 LYS 32 7.094 -2.529 -4.854 248 1HZ LYS 32 HZ2 LYS 32 4.527 -3.150 -6.221 249 2HZ LYS 32 HZ3 LYS 32 5.636 -4.273 -5.594 250 3HZ LYS 32 HZ1 LYS 32 4.814 -3.217 -4.548 251 1HN ABA 33 HN ABA 33 3.589 2.352 -4.198 252 HA ABA 33 HA ABA 33 3.328 1.473 -1.504 253 1HB ABA 33 HB3 ABA 33 1.358 2.166 -3.736 254 2HB ABA 33 HB2 ABA 33 2.036 3.269 -2.499 255 1HG ABA 33 HG1 ABA 33 0.098 0.951 -1.967 256 2HG ABA 33 HG2 ABA 33 1.163 1.703 -0.730 257 3HG ABA 33 HG3 ABA 33 -0.062 2.719 -1.595 258 H ARG 34 HN ARG 34 2.579 -0.525 -0.760 259 HA ARG 34 HA ARG 34 1.941 -2.608 -2.715 260 1HB ARG 34 HB2 ARG 34 4.454 -2.578 -1.928 261 2HB ARG 34 HB3 ARG 34 3.837 -3.209 -0.376 262 1HG ARG 34 HG2 ARG 34 2.904 -5.198 -1.580 263 2HG ARG 34 HG3 ARG 34 3.306 -4.434 -3.161 264 1HD ARG 34 HD2 ARG 34 5.763 -4.499 -2.540 265 2HD ARG 34 HD3 ARG 34 5.339 -5.370 -1.017 266 HE ARG 34 HE ARG 34 4.919 -6.348 -3.881 267 1HH1 ARG 34 HH12 ARG 34 5.237 -7.150 -0.407 268 2HH1 ARG 34 HH11 ARG 34 5.301 -8.859 -0.685 269 1HH2 ARG 34 HH22 ARG 34 5.009 -8.627 -4.215 270 2HH2 ARG 34 HH21 ARG 34 5.169 -9.707 -2.870 271 H CYS 35 HN CYS 35 1.193 -4.606 -1.057 272 HA CYS 35 HA CYS 35 -0.315 -3.558 1.116 273 1HB CYS 35 HB2 CYS 35 -1.761 -3.278 -1.100 274 2HB CYS 35 HB3 CYS 35 -1.960 -5.044 -0.991 275 H TYR 36 HN TYR 36 -1.223 -5.429 2.322 276 HA TYR 36 HA TYR 36 0.388 -7.869 2.040 277 1HB TYR 36 HB2 TYR 36 0.553 -5.605 4.096 278 2HB TYR 36 HB3 TYR 36 0.982 -7.275 4.651 279 HD1 TYR 36 HD1 TYR 36 2.554 -8.506 2.678 280 HD2 TYR 36 HD2 TYR 36 2.367 -4.326 3.623 281 HE1 TYR 36 HE1 TYR 36 4.821 -8.190 1.741 282 HE2 TYR 36 HE2 TYR 36 4.605 -3.991 2.658 283 HH TYR 36 HH TYR 36 6.357 -4.938 1.618 284 H SER 37 HN SER 37 -1.991 -8.151 1.373 285 HA SER 37 HA SER 37 -3.934 -8.193 3.494 286 1HB SER 37 HB2 SER 37 -4.495 -7.558 1.122 287 2HB SER 37 HB3 SER 37 -4.125 -9.244 0.609 288 HG SER 37 HG SER 37 -5.758 -9.917 2.053 No H/Q in entry = 288 Start of MODEL 19 1 HA PCA 1 HA PGL 1 -1.279 -8.992 -7.600 2 1HB PCA 1 HB2 PGL 1 -2.524 -6.418 -8.759 3 2HB PCA 1 HB3 PGL 1 -1.386 -7.575 -9.560 4 1HG PCA 1 HG2 PGL 1 -4.155 -7.590 -9.977 5 2HG PCA 1 HG3 PGL 1 -3.192 -9.144 -9.961 6 HN PCA 1 HN PGL 1 -3.386 -8.861 -6.104 7 H PHE 2 HN PHE 2 -0.046 -6.427 -7.866 8 HA PHE 2 HA PHE 2 -0.005 -5.346 -5.124 9 1HB PHE 2 HB2 PHE 2 2.197 -5.351 -7.301 10 2HB PHE 2 HB3 PHE 2 2.375 -4.687 -5.637 11 HD1 PHE 2 HD1 PHE 2 1.413 -6.607 -3.777 12 HD2 PHE 2 HD2 PHE 2 3.395 -7.289 -7.538 13 HE1 PHE 2 HE1 PHE 2 2.201 -8.802 -2.971 14 HE2 PHE 2 HE2 PHE 2 4.192 -9.478 -6.714 15 HZ PHE 2 HZ PHE 2 3.582 -10.248 -4.437 16 H THR 3 HN THR 3 0.570 -2.962 -5.109 17 HA THR 3 HA THR 3 -0.840 -1.434 -7.140 18 HB THR 3 HB THR 3 -0.301 0.406 -5.270 19 HG1 THR 3 HG1 THR 3 0.698 -0.467 -3.716 20 1HG2 THR 3 HG21 THR 3 -2.373 -1.832 -4.870 21 2HG2 THR 3 HG22 THR 3 -2.390 -0.191 -4.115 22 3HG2 THR 3 HG23 THR 3 -2.558 -0.357 -5.904 23 H ASN 4 HN ASN 4 0.184 0.594 -7.916 24 HA ASN 4 HA ASN 4 3.103 0.572 -8.012 25 1HB ASN 4 HB2 ASN 4 3.024 0.935 -10.511 26 2HB ASN 4 HB3 ASN 4 2.617 -0.714 -9.961 27 1HD2 ASN 4 HD22 ASN 4 0.240 -0.253 -12.635 28 2HD2 ASN 4 HD21 ASN 4 1.903 -0.633 -12.330 29 H VAL 5 HN VAL 5 1.892 2.116 -6.308 30 HA VAL 5 HA VAL 5 1.673 4.807 -7.483 31 HB VAL 5 HB VAL 5 1.148 4.111 -4.562 32 1HG1 VAL 5 HG11 VAL 5 -0.010 6.176 -6.579 33 2HG1 VAL 5 HG12 VAL 5 -0.535 5.981 -4.868 34 3HG1 VAL 5 HG13 VAL 5 1.119 6.563 -5.229 35 1HG2 VAL 5 HG22 VAL 5 -0.716 3.571 -6.943 36 2HG2 VAL 5 HG23 VAL 5 -0.139 2.421 -5.666 37 3HG2 VAL 5 HG21 VAL 5 -1.251 3.757 -5.236 38 H SER 6 HN SER 6 2.699 6.297 -5.362 39 HA SER 6 HA SER 6 5.454 5.328 -4.940 40 1HB SER 6 HB2 SER 6 6.132 7.782 -4.745 41 2HB SER 6 HB3 SER 6 5.751 7.147 -6.369 42 HG SER 6 HG SER 6 4.818 9.154 -5.992 43 H CYS 7 HN CYS 7 6.129 5.097 -2.940 44 HA CYS 7 HA CYS 7 4.635 6.410 -0.712 45 1HB CYS 7 HB2 CYS 7 3.363 4.522 -0.956 46 2HB CYS 7 HB3 CYS 7 4.742 3.427 -1.051 47 H THR 8 HN THR 8 5.776 6.642 1.124 48 HA THR 8 HA THR 8 8.557 5.719 1.311 49 HB THR 8 HB THR 8 9.162 7.919 2.446 50 HG1 THR 8 HG1 THR 8 7.944 9.677 1.761 51 1HG2 THR 8 HG22 THR 8 9.945 7.217 0.169 52 2HG2 THR 8 HG23 THR 8 8.496 7.993 -0.570 53 3HG2 THR 8 HG21 THR 8 9.711 8.997 0.304 54 H THR 9 HN THR 9 5.600 6.984 2.960 55 HA THR 9 HA THR 9 6.433 5.692 5.477 56 HB THR 9 HB THR 9 4.679 7.212 6.524 57 HG1 THR 9 HG1 THR 9 3.713 7.753 4.464 58 1HG2 THR 9 HG22 THR 9 7.133 7.595 6.673 59 2HG2 THR 9 HG23 THR 9 7.105 8.503 5.109 60 3HG2 THR 9 HG21 THR 9 6.223 9.150 6.547 61 H SER 10 HN SER 10 5.142 4.205 6.465 62 HA SER 10 HA SER 10 2.963 3.010 4.981 63 1HB SER 10 HB2 SER 10 4.761 1.593 5.918 64 2HB SER 10 HB3 SER 10 4.373 2.158 7.580 65 HG SER 10 HG SER 10 2.690 0.728 5.785 66 H LYS 11 HN LYS 11 1.571 4.869 5.137 67 HA LYS 11 HA LYS 11 -0.408 4.728 7.043 68 1HB LYS 11 HB2 LYS 11 1.212 5.993 8.534 69 2HB LYS 11 HB3 LYS 11 1.397 7.238 7.271 70 1HG LYS 11 HG2 LYS 11 -0.055 7.935 9.133 71 2HG LYS 11 HG3 LYS 11 -0.967 7.935 7.585 72 1HD LYS 11 HD2 LYS 11 -2.091 5.814 8.194 73 2HD LYS 11 HD3 LYS 11 -1.088 5.661 9.677 74 1HE LYS 11 HE2 LYS 11 -3.100 7.959 9.128 75 2HE LYS 11 HE3 LYS 11 -3.436 6.493 10.134 76 1HZ LYS 11 HZ2 LYS 11 -1.319 8.513 10.670 77 2HZ LYS 11 HZ3 LYS 11 -2.816 8.372 11.459 78 3HZ LYS 11 HZ1 LYS 11 -1.662 7.135 11.601 79 H GLU 12 HN GLU 12 1.474 6.704 4.694 80 HA GLU 12 HA GLU 12 -0.172 8.369 3.569 81 1HB GLU 12 HB2 GLU 12 2.327 7.808 3.337 82 2HB GLU 12 HB3 GLU 12 1.913 6.642 2.087 83 1HG GLU 12 HG2 GLU 12 0.609 9.175 1.382 84 2HG GLU 12 HG3 GLU 12 2.240 9.575 2.027 85 1HN ABA 13 HN ABA 13 0.108 4.971 2.550 86 HA ABA 13 HA ABA 13 -1.653 5.330 0.199 87 1HB ABA 13 HB3 ABA 13 0.642 4.939 -0.364 88 2HB ABA 13 HB2 ABA 13 -0.309 3.493 -0.737 89 1HG ABA 13 HG1 ABA 13 0.635 2.391 1.377 90 2HG ABA 13 HG2 ABA 13 1.917 3.005 0.263 91 3HG ABA 13 HG3 ABA 13 1.517 3.934 1.735 92 H TRP 14 HN TRP 14 -2.570 4.735 3.010 93 HA TRP 14 HA TRP 14 -3.324 1.948 3.013 94 1HB TRP 14 HB2 TRP 14 -3.545 4.221 5.046 95 2HB TRP 14 HB3 TRP 14 -4.333 2.636 5.329 96 HD1 TRP 14 HD1 TRP 14 -0.699 2.803 3.786 97 HE1 TRP 14 HE1 TRP 14 0.742 1.368 5.258 98 HE3 TRP 14 HE3 TRP 14 -3.967 2.199 7.678 99 HZ2 TRP 14 HZ2 TRP 14 0.575 0.108 7.830 100 HZ3 TRP 14 HZ3 TRP 14 -3.272 0.807 9.600 101 HH2 TRP 14 HH2 TRP 14 -1.046 -0.282 9.625 102 H SER 15 HN SER 15 -4.863 4.960 2.011 103 HA SER 15 HA SER 15 -7.524 3.826 2.028 104 1HB SER 15 HB2 SER 15 -8.198 6.090 1.151 105 2HB SER 15 HB3 SER 15 -7.380 6.123 2.747 106 HG SER 15 HG SER 15 -6.128 6.638 0.260 107 H VAL 16 HN VAL 16 -4.783 3.450 0.192 108 HA VAL 16 HA VAL 16 -6.119 3.369 -2.407 109 HB VAL 16 HB VAL 16 -3.182 2.879 -1.698 110 1HG1 VAL 16 HG13 VAL 16 -4.669 3.264 -4.395 111 2HG1 VAL 16 HG11 VAL 16 -2.884 3.289 -4.170 112 3HG1 VAL 16 HG12 VAL 16 -3.789 1.780 -3.856 113 1HG2 VAL 16 HG22 VAL 16 -4.657 5.391 -2.726 114 2HG2 VAL 16 HG23 VAL 16 -3.821 5.205 -1.136 115 3HG2 VAL 16 HG21 VAL 16 -2.868 5.179 -2.657 116 H CYS 17 HN CYS 17 -4.497 1.207 0.013 117 HA CYS 17 HA CYS 17 -5.165 -1.199 -1.425 118 1HB CYS 17 HB2 CYS 17 -3.636 -0.464 1.079 119 2HB CYS 17 HB3 CYS 17 -4.232 -2.145 0.972 120 H GLN 18 HN GLN 18 -7.072 0.836 0.524 121 HA GLN 18 HA GLN 18 -8.731 -1.226 1.650 122 1HB GLN 18 HB2 GLN 18 -8.163 0.756 2.938 123 2HB GLN 18 HB3 GLN 18 -8.750 1.849 1.643 124 1HG GLN 18 HG2 GLN 18 -11.073 1.165 2.033 125 2HG GLN 18 HG3 GLN 18 -10.534 -0.174 3.122 126 1HE2 GLN 18 HE22 GLN 18 -11.487 2.266 5.626 127 2HE2 GLN 18 HE21 GLN 18 -12.077 0.953 4.661 128 H ARG 19 HN ARG 19 -8.811 1.326 -0.886 129 HA ARG 19 HA ARG 19 -11.513 0.716 -1.665 130 1HB ARG 19 HB2 ARG 19 -9.593 2.863 -2.617 131 2HB ARG 19 HB3 ARG 19 -11.323 2.678 -3.106 132 1HG ARG 19 HG2 ARG 19 -11.951 2.722 -0.645 133 2HG ARG 19 HG3 ARG 19 -10.280 3.244 -0.262 134 1HD ARG 19 HD2 ARG 19 -12.233 4.672 -2.180 135 2HD ARG 19 HD3 ARG 19 -11.947 5.129 -0.435 136 HE ARG 19 HE ARG 19 -9.421 5.067 -1.862 137 1HH1 ARG 19 HH22 ARG 19 -12.405 7.029 -1.617 138 2HH1 ARG 19 HH21 ARG 19 -11.616 8.515 -2.028 139 1HH2 ARG 19 HH12 ARG 19 -8.387 7.095 -2.408 140 2HH2 ARG 19 HH11 ARG 19 -9.319 8.552 -2.478 141 H LEU 20 HN LEU 20 -8.364 -0.447 -2.655 142 HA LEU 20 HA LEU 20 -9.186 -1.142 -5.345 143 1HB LEU 20 HB2 LEU 20 -6.903 -0.295 -4.991 144 2HB LEU 20 HB3 LEU 20 -6.592 -1.568 -3.776 145 HG LEU 20 HG LEU 20 -6.782 -3.313 -5.512 146 1HD1 LEU 20 HD13 LEU 20 -7.126 -1.014 -7.553 147 2HD1 LEU 20 HD11 LEU 20 -6.818 -2.744 -7.957 148 3HD1 LEU 20 HD12 LEU 20 -8.356 -2.274 -7.152 149 1HD2 LEU 20 HD21 LEU 20 -4.585 -2.296 -4.980 150 2HD2 LEU 20 HD22 LEU 20 -4.663 -2.838 -6.697 151 3HD2 LEU 20 HD23 LEU 20 -4.813 -1.085 -6.300 152 H HIS 21 HN HIS 21 -8.297 -2.699 -2.154 153 HA HIS 21 HA HIS 21 -9.334 -5.272 -3.113 154 1HB HIS 21 HB2 HIS 21 -7.228 -4.576 -0.991 155 2HB HIS 21 HB3 HIS 21 -7.852 -6.236 -1.313 156 HD1 HIS 21 HD1 HIS 21 -7.205 -7.271 -3.709 157 HD2 HIS 21 HD2 HIS 21 -5.286 -3.653 -2.808 158 HE1 HIS 21 HE1 HIS 21 -5.212 -7.011 -5.289 159 H ASN 22 HN ASN 22 -8.777 -5.023 0.204 160 HA ASN 22 HA ASN 22 -11.229 -4.086 1.173 161 1HB ASN 22 HB2 ASN 22 -12.341 -6.359 1.756 162 2HB ASN 22 HB3 ASN 22 -12.497 -5.769 0.089 163 1HD2 ASN 22 HD22 ASN 22 -11.171 -8.657 -1.400 164 2HD2 ASN 22 HD21 ASN 22 -12.083 -7.190 -1.534 165 H THR 23 HN THR 23 -8.902 -3.426 2.146 166 HA THR 23 HA THR 23 -8.956 -4.716 4.724 167 HB THR 23 HB THR 23 -7.275 -6.033 3.408 168 HG1 THR 23 HG1 THR 23 -7.282 -5.865 5.613 169 1HG2 THR 23 HG23 THR 23 -6.275 -4.249 1.995 170 2HG2 THR 23 HG21 THR 23 -5.553 -3.465 3.452 171 3HG2 THR 23 HG22 THR 23 -5.039 -5.115 2.964 172 H SER 24 HN SER 24 -6.589 -3.031 5.598 173 HA SER 24 HA SER 24 -7.327 -0.368 4.727 174 1HB SER 24 HB2 SER 24 -7.594 0.568 7.050 175 2HB SER 24 HB3 SER 24 -8.943 -0.484 6.516 176 HG SER 24 HG SER 24 -8.292 -0.929 8.614 177 H ARG 25 HN ARG 25 -4.968 -2.645 5.381 178 HA ARG 25 HA ARG 25 -3.017 -0.604 6.100 179 1HB ARG 25 HB2 ARG 25 -1.688 -2.026 7.353 180 2HB ARG 25 HB3 ARG 25 -3.349 -2.101 7.993 181 1HG ARG 25 HG2 ARG 25 -1.962 -4.259 6.276 182 2HG ARG 25 HG3 ARG 25 -2.222 -4.273 8.053 183 1HD ARG 25 HD2 ARG 25 -4.748 -4.199 7.642 184 2HD ARG 25 HD3 ARG 25 -4.383 -4.244 5.877 185 HE ARG 25 HE ARG 25 -3.763 -6.509 5.989 186 1HH1 ARG 25 HH12 ARG 25 -4.308 -5.296 9.310 187 2HH1 ARG 25 HH11 ARG 25 -4.339 -6.876 10.022 188 1HH2 ARG 25 HH22 ARG 25 -3.815 -8.614 6.966 189 2HH2 ARG 25 HH21 ARG 25 -4.056 -8.784 8.673 190 H GLY 26 HN GLY 26 -0.784 -2.116 5.623 191 1HA GLY 26 HA1 GLY 26 -0.153 -3.126 3.305 192 2HA GLY 26 HA2 GLY 26 -0.574 -1.414 2.850 193 H LYS 27 HN LYS 27 2.055 -2.201 2.608 194 HA LYS 27 HA LYS 27 3.307 -0.296 4.365 195 1HB LYS 27 HB2 LYS 27 4.613 -3.075 3.919 196 2HB LYS 27 HB3 LYS 27 5.332 -1.657 4.752 197 1HG LYS 27 HG2 LYS 27 3.528 -1.895 6.548 198 2HG LYS 27 HG3 LYS 27 2.936 -3.341 5.658 199 1HD LYS 27 HD2 LYS 27 4.180 -4.312 7.311 200 2HD LYS 27 HD3 LYS 27 5.352 -4.313 5.955 201 1HE LYS 27 HE2 LYS 27 5.246 -2.249 8.284 202 2HE LYS 27 HE3 LYS 27 6.345 -3.681 8.214 203 1HZ LYS 27 HZ2 LYS 27 6.326 -1.433 6.277 204 2HZ LYS 27 HZ3 LYS 27 7.424 -1.657 7.554 205 3HZ LYS 27 HZ1 LYS 27 7.372 -2.770 6.272 206 H CYS 28 HN CYS 28 5.493 0.202 3.206 207 HA CYS 28 HA CYS 28 5.434 -0.577 0.359 208 1HB CYS 28 HB2 CYS 28 6.024 1.823 -0.234 209 2HB CYS 28 HB3 CYS 28 4.373 1.536 0.372 210 H MET 29 HN MET 29 7.569 0.231 -0.666 211 HA MET 29 HA MET 29 9.643 -1.088 0.887 212 1HB MET 29 HB2 MET 29 8.540 -1.820 -1.401 213 2HB MET 29 HB3 MET 29 9.752 -0.721 -2.120 214 1HG MET 29 HG2 MET 29 10.117 -3.190 -0.301 215 2HG MET 29 HG3 MET 29 10.442 -3.084 -2.054 216 1HE MET 29 HE3 MET 29 12.570 -4.514 -0.977 217 2HE MET 29 HE1 MET 29 12.749 -3.672 -2.558 218 3HE MET 29 HE2 MET 29 14.079 -3.609 -1.353 219 H ASN 30 HN ASN 30 11.152 0.485 -1.598 220 HA ASN 30 HA ASN 30 12.013 2.664 0.090 221 1HB ASN 30 HB2 ASN 30 13.710 3.156 -1.639 222 2HB ASN 30 HB3 ASN 30 13.772 1.495 -0.986 223 1HD2 ASN 30 HD22 ASN 30 13.042 -0.171 -4.062 224 2HD2 ASN 30 HD21 ASN 30 13.081 -0.313 -2.336 225 H LYS 31 HN LYS 31 10.160 2.333 -2.906 226 HA LYS 31 HA LYS 31 9.448 5.181 -2.863 227 1HB LYS 31 HB2 LYS 31 10.955 3.680 -5.057 228 2HB LYS 31 HB3 LYS 31 10.017 5.139 -5.469 229 1HG LYS 31 HG2 LYS 31 12.274 5.119 -3.435 230 2HG LYS 31 HG3 LYS 31 12.394 5.627 -5.160 231 1HD LYS 31 HD2 LYS 31 10.603 7.368 -4.709 232 2HD LYS 31 HD3 LYS 31 10.663 6.919 -2.966 233 1HE LYS 31 HE2 LYS 31 13.079 7.623 -2.857 234 2HE LYS 31 HE3 LYS 31 13.036 8.042 -4.620 235 1HZ LYS 31 HZ2 LYS 31 11.327 9.650 -4.146 236 2HZ LYS 31 HZ3 LYS 31 11.358 9.264 -2.491 237 3HZ LYS 31 HZ1 LYS 31 12.724 9.958 -3.228 238 H LYS 32 HN LYS 32 8.021 2.100 -2.978 239 HA LYS 32 HA LYS 32 5.853 3.277 -4.524 240 1HB LYS 32 HB2 LYS 32 5.546 1.632 -6.056 241 2HB LYS 32 HB3 LYS 32 7.257 2.112 -6.218 242 1HG LYS 32 HG2 LYS 32 7.909 0.057 -4.816 243 2HG LYS 32 HG3 LYS 32 6.183 -0.456 -4.907 244 1HD LYS 32 HD2 LYS 32 6.336 -0.296 -7.431 245 2HD LYS 32 HD3 LYS 32 8.092 0.037 -7.246 246 1HE LYS 32 HE2 LYS 32 7.756 -2.378 -7.782 247 2HE LYS 32 HE3 LYS 32 8.369 -2.224 -6.086 248 1HZ LYS 32 HZ3 LYS 32 5.530 -2.602 -6.904 249 2HZ LYS 32 HZ1 LYS 32 6.567 -3.786 -6.263 250 3HZ LYS 32 HZ2 LYS 32 6.101 -2.456 -5.311 251 1HN ABA 33 HN ABA 33 3.832 2.322 -4.215 252 HA ABA 33 HA ABA 33 3.345 1.441 -1.588 253 1HB ABA 33 HB3 ABA 33 1.539 1.754 -4.039 254 2HB ABA 33 HB2 ABA 33 1.932 2.997 -2.803 255 1HG ABA 33 HG1 ABA 33 0.884 1.595 -1.030 256 2HG ABA 33 HG2 ABA 33 -0.268 2.164 -2.300 257 3HG ABA 33 HG3 ABA 33 0.282 0.449 -2.250 258 H ARG 34 HN ARG 34 2.775 -0.583 -0.840 259 HA ARG 34 HA ARG 34 2.501 -2.829 -2.719 260 1HB ARG 34 HB2 ARG 34 4.745 -2.389 -1.090 261 2HB ARG 34 HB3 ARG 34 3.789 -3.512 -0.095 262 1HG ARG 34 HG2 ARG 34 3.764 -5.150 -1.974 263 2HG ARG 34 HG3 ARG 34 4.523 -3.928 -3.063 264 1HD ARG 34 HD2 ARG 34 6.554 -3.853 -1.578 265 2HD ARG 34 HD3 ARG 34 5.805 -5.114 -0.508 266 HE ARG 34 HE ARG 34 5.793 -6.158 -3.174 267 1HH1 ARG 34 HH12 ARG 34 8.189 -5.093 -0.756 268 2HH1 ARG 34 HH11 ARG 34 9.382 -6.275 -1.206 269 1HH2 ARG 34 HH22 ARG 34 7.426 -7.736 -3.787 270 2HH2 ARG 34 HH21 ARG 34 8.941 -7.783 -2.937 271 H CYS 35 HN CYS 35 1.497 -4.751 -1.146 272 HA CYS 35 HA CYS 35 -0.688 -3.567 0.344 273 1HB CYS 35 HB2 CYS 35 -1.023 -3.733 -2.346 274 2HB CYS 35 HB3 CYS 35 -1.499 -5.400 -1.972 275 H TYR 36 HN TYR 36 -1.461 -4.879 1.747 276 HA TYR 36 HA TYR 36 -0.409 -7.610 2.084 277 1HB TYR 36 HB2 TYR 36 0.112 -5.180 3.905 278 2HB TYR 36 HB3 TYR 36 0.278 -6.877 4.520 279 HD1 TYR 36 HD2 TYR 36 2.011 -8.387 3.396 280 HD2 TYR 36 HD1 TYR 36 1.796 -4.175 2.660 281 HE1 TYR 36 HE2 TYR 36 4.384 -8.385 2.684 282 HE2 TYR 36 HE1 TYR 36 4.161 -4.134 2.002 283 HH TYR 36 HH TYR 36 6.038 -5.358 1.671 284 H SER 37 HN SER 37 -2.492 -8.348 1.840 285 HA SER 37 HA SER 37 -4.569 -7.378 3.714 286 1HB SER 37 HB2 SER 37 -5.157 -7.085 1.317 287 2HB SER 37 HB3 SER 37 -4.858 -8.830 1.014 288 HG SER 37 HG SER 37 -6.490 -9.264 2.555 No H/Q in entry = 288 Start of MODEL 20 1 HA PCA 1 HA PGL 1 -4.102 -8.030 -4.105 2 1HB PCA 1 HB2 PGL 1 -1.687 -9.705 -5.012 3 2HB PCA 1 HB3 PGL 1 -2.959 -10.121 -3.799 4 1HG PCA 1 HG2 PGL 1 -2.931 -11.040 -6.460 5 2HG PCA 1 HG3 PGL 1 -4.483 -10.761 -5.545 6 HN PCA 1 HN PGL 1 -3.878 -7.021 -6.457 7 H PHE 2 HN PHE 2 -2.001 -6.502 -6.312 8 HA PHE 2 HA PHE 2 -0.211 -5.405 -4.242 9 1HB PHE 2 HB2 PHE 2 0.373 -6.059 -7.219 10 2HB PHE 2 HB3 PHE 2 1.528 -5.283 -6.070 11 HD1 PHE 2 HD2 PHE 2 2.010 -6.610 -3.851 12 HD2 PHE 2 HD1 PHE 2 0.387 -8.382 -7.418 13 HE1 PHE 2 HE2 PHE 2 2.755 -8.842 -3.087 14 HE2 PHE 2 HE1 PHE 2 1.137 -10.610 -6.653 15 HZ PHE 2 HZ PHE 2 2.320 -10.845 -4.484 16 H THR 3 HN THR 3 0.569 -3.226 -4.792 17 HA THR 3 HA THR 3 -1.118 -1.660 -6.620 18 HB THR 3 HB THR 3 -0.650 0.273 -4.967 19 HG1 THR 3 HG1 THR 3 0.163 -0.173 -3.153 20 1HG2 THR 3 HG22 THR 3 -2.549 -2.044 -4.210 21 2HG2 THR 3 HG23 THR 3 -2.576 -0.415 -3.460 22 3HG2 THR 3 HG21 THR 3 -2.889 -0.587 -5.232 23 H ASN 4 HN ASN 4 0.135 0.131 -7.597 24 HA ASN 4 HA ASN 4 3.038 -0.068 -7.429 25 1HB ASN 4 HB2 ASN 4 3.197 -0.110 -9.963 26 2HB ASN 4 HB3 ASN 4 2.648 -1.637 -9.224 27 1HD2 ASN 4 HD22 ASN 4 0.303 0.234 -12.007 28 2HD2 ASN 4 HD21 ASN 4 1.862 0.831 -11.549 29 H VAL 5 HN VAL 5 1.607 1.746 -6.136 30 HA VAL 5 HA VAL 5 1.658 4.224 -7.692 31 HB VAL 5 HB VAL 5 1.087 4.115 -4.704 32 1HG1 VAL 5 HG11 VAL 5 -0.060 5.707 -7.112 33 2HG1 VAL 5 HG12 VAL 5 -0.544 5.903 -5.387 34 3HG1 VAL 5 HG13 VAL 5 1.115 6.349 -5.904 35 1HG2 VAL 5 HG22 VAL 5 -0.779 3.087 -6.919 36 2HG2 VAL 5 HG23 VAL 5 -0.184 2.231 -5.430 37 3HG2 VAL 5 HG21 VAL 5 -1.312 3.621 -5.284 38 H SER 6 HN SER 6 2.734 6.040 -5.928 39 HA SER 6 HA SER 6 5.432 5.050 -5.233 40 1HB SER 6 HB2 SER 6 6.188 7.476 -5.447 41 2HB SER 6 HB3 SER 6 5.827 6.584 -6.949 42 HG SER 6 HG SER 6 4.052 8.358 -5.626 43 H CYS 7 HN CYS 7 6.018 5.155 -3.209 44 HA CYS 7 HA CYS 7 4.148 6.415 -1.264 45 1HB CYS 7 HB2 CYS 7 4.599 4.889 0.350 46 2HB CYS 7 HB3 CYS 7 4.537 3.942 -1.118 47 H THR 8 HN THR 8 5.181 7.190 0.775 48 HA THR 8 HA THR 8 7.929 8.150 0.573 49 HB THR 8 HB THR 8 7.226 10.237 1.900 50 HG1 THR 8 HG1 THR 8 5.052 9.572 2.206 51 1HG2 THR 8 HG23 THR 8 8.077 10.246 -0.458 52 2HG2 THR 8 HG21 THR 8 6.392 10.049 -1.069 53 3HG2 THR 8 HG22 THR 8 6.855 11.534 -0.158 54 H THR 9 HN THR 9 4.977 7.667 2.582 55 HA THR 9 HA THR 9 6.614 6.517 4.749 56 HB THR 9 HB THR 9 4.784 7.348 6.295 57 HG1 THR 9 HG1 THR 9 3.582 9.084 5.518 58 1HG2 THR 9 HG22 THR 9 7.020 8.463 6.065 59 2HG2 THR 9 HG23 THR 9 6.363 9.513 4.754 60 3HG2 THR 9 HG21 THR 9 5.697 9.633 6.423 61 H SER 10 HN SER 10 5.626 4.836 5.936 62 HA SER 10 HA SER 10 3.526 3.278 4.639 63 1HB SER 10 HB2 SER 10 5.313 2.629 7.056 64 2HB SER 10 HB3 SER 10 4.068 1.532 6.333 65 HG SER 10 HG SER 10 5.225 1.630 4.405 66 H LYS 11 HN LYS 11 2.047 5.034 4.998 67 HA LYS 11 HA LYS 11 0.338 4.731 7.208 68 1HB LYS 11 HB2 LYS 11 1.919 7.370 7.104 69 2HB LYS 11 HB3 LYS 11 0.237 7.306 7.745 70 1HG LYS 11 HG2 LYS 11 0.963 5.487 9.347 71 2HG LYS 11 HG3 LYS 11 2.666 5.906 8.944 72 1HD LYS 11 HD2 LYS 11 2.298 8.238 9.705 73 2HD LYS 11 HD3 LYS 11 0.551 7.891 9.980 74 1HE LYS 11 HE2 LYS 11 1.166 6.187 11.739 75 2HE LYS 11 HE3 LYS 11 2.914 6.597 11.508 76 1HZ LYS 11 HZ1 LYS 11 2.389 8.867 12.136 77 2HZ LYS 11 HZ2 LYS 11 0.760 8.453 12.373 78 3HZ LYS 11 HZ3 LYS 11 1.960 7.763 13.355 79 H GLU 12 HN GLU 12 1.455 6.597 4.362 80 HA GLU 12 HA GLU 12 -0.843 7.654 3.406 81 1HB GLU 12 HB2 GLU 12 1.777 7.761 2.967 82 2HB GLU 12 HB3 GLU 12 1.473 6.678 1.618 83 1HG GLU 12 HG2 GLU 12 0.072 9.414 2.068 84 2HG GLU 12 HG3 GLU 12 1.574 9.188 1.103 85 1HN ABA 13 HN ABA 13 0.189 4.367 3.298 86 HA ABA 13 HA ABA 13 -1.023 3.620 0.792 87 1HB ABA 13 HB3 ABA 13 0.178 1.546 1.081 88 2HB ABA 13 HB2 ABA 13 0.493 1.891 2.825 89 1HG ABA 13 HG1 ABA 13 1.611 3.617 0.516 90 2HG ABA 13 HG2 ABA 13 2.024 3.726 2.280 91 3HG ABA 13 HG3 ABA 13 2.447 2.249 1.329 92 H TRP 14 HN TRP 14 -2.402 3.941 3.748 93 HA TRP 14 HA TRP 14 -3.919 1.508 4.052 94 1HB TRP 14 HB2 TRP 14 -3.596 4.181 5.458 95 2HB TRP 14 HB3 TRP 14 -5.119 3.270 5.761 96 HD1 TRP 14 HD1 TRP 14 -5.197 1.516 7.402 97 HE1 TRP 14 HE1 TRP 14 -3.569 -0.064 8.540 98 HE3 TRP 14 HE3 TRP 14 -0.873 3.020 5.173 99 HZ2 TRP 14 HZ2 TRP 14 -0.740 -0.335 8.875 100 HZ3 TRP 14 HZ3 TRP 14 1.230 1.922 5.807 101 HH2 TRP 14 HH2 TRP 14 1.321 0.330 7.685 102 H SER 15 HN SER 15 -4.453 4.697 2.477 103 HA SER 15 HA SER 15 -7.247 4.124 1.964 104 1HB SER 15 HB2 SER 15 -7.221 6.431 0.924 105 2HB SER 15 HB3 SER 15 -6.760 6.383 2.656 106 HG SER 15 HG SER 15 -5.412 7.692 1.412 107 H VAL 16 HN VAL 16 -4.288 3.162 0.619 108 HA VAL 16 HA VAL 16 -5.294 3.074 -2.130 109 HB VAL 16 HB VAL 16 -2.553 2.188 -1.136 110 1HG1 VAL 16 HG11 VAL 16 -3.381 1.428 -3.451 111 2HG1 VAL 16 HG12 VAL 16 -3.634 3.152 -3.883 112 3HG1 VAL 16 HG13 VAL 16 -1.975 2.539 -3.524 113 1HG2 VAL 16 HG23 VAL 16 -3.487 4.984 -2.067 114 2HG2 VAL 16 HG21 VAL 16 -2.816 4.557 -0.445 115 3HG2 VAL 16 HG22 VAL 16 -1.772 4.457 -1.900 116 H CYS 17 HN CYS 17 -4.696 0.941 0.741 117 HA CYS 17 HA CYS 17 -5.225 -1.419 -0.796 118 1HB CYS 17 HB2 CYS 17 -4.841 -0.808 2.162 119 2HB CYS 17 HB3 CYS 17 -5.374 -2.434 1.643 120 H GLN 18 HN GLN 18 -7.309 0.975 0.704 121 HA GLN 18 HA GLN 18 -9.593 -0.808 0.969 122 1HB GLN 18 HB2 GLN 18 -9.349 2.216 1.402 123 2HB GLN 18 HB3 GLN 18 -10.831 1.214 1.711 124 1HG GLN 18 HG2 GLN 18 -9.687 -0.058 3.459 125 2HG GLN 18 HG3 GLN 18 -8.144 0.803 3.111 126 1HE2 GLN 18 HE22 GLN 18 -11.317 2.898 4.913 127 2HE2 GLN 18 HE21 GLN 18 -11.646 1.591 3.825 128 H ARG 19 HN ARG 19 -8.359 1.760 -1.165 129 HA ARG 19 HA ARG 19 -10.753 2.014 -2.713 130 1HB ARG 19 HB2 ARG 19 -9.891 3.823 -3.751 131 2HB ARG 19 HB3 ARG 19 -9.199 3.860 -2.110 132 1HG ARG 19 HG2 ARG 19 -7.306 4.409 -3.222 133 2HG ARG 19 HG3 ARG 19 -7.113 2.631 -3.290 134 1HD ARG 19 HD2 ARG 19 -6.615 3.650 -5.507 135 2HD ARG 19 HD3 ARG 19 -8.164 2.686 -5.615 136 HE ARG 19 HE ARG 19 -8.876 5.357 -4.912 137 1HH1 ARG 19 HH22 ARG 19 -7.429 3.651 -7.706 138 2HH1 ARG 19 HH21 ARG 19 -8.167 4.686 -8.881 139 1HH2 ARG 19 HH12 ARG 19 -9.857 6.722 -6.509 140 2HH2 ARG 19 HH11 ARG 19 -9.567 6.451 -8.193 141 H LEU 20 HN LEU 20 -8.028 -0.081 -2.903 142 HA LEU 20 HA LEU 20 -8.501 -0.934 -5.644 143 1HB LEU 20 HB2 LEU 20 -6.358 -1.141 -3.584 144 2HB LEU 20 HB3 LEU 20 -6.586 -2.675 -4.475 145 HG LEU 20 HG LEU 20 -4.865 -1.360 -5.405 146 1HD1 LEU 20 HD12 LEU 20 -6.105 -2.921 -6.862 147 2HD1 LEU 20 HD13 LEU 20 -7.233 -1.605 -7.361 148 3HD1 LEU 20 HD11 LEU 20 -5.489 -1.513 -7.806 149 1HD2 LEU 20 HD23 LEU 20 -5.683 0.967 -4.938 150 2HD2 LEU 20 HD21 LEU 20 -5.181 0.755 -6.656 151 3HD2 LEU 20 HD22 LEU 20 -6.929 0.781 -6.230 152 H HIS 21 HN HIS 21 -8.127 -2.581 -2.462 153 HA HIS 21 HA HIS 21 -9.961 -4.698 -3.282 154 1HB HIS 21 HB2 HIS 21 -7.841 -4.566 -1.052 155 2HB HIS 21 HB3 HIS 21 -8.780 -6.024 -1.553 156 HD1 HIS 21 HD1 HIS 21 -8.219 -6.756 -4.196 157 HD2 HIS 21 HD2 HIS 21 -5.538 -4.051 -2.435 158 HE1 HIS 21 HE1 HIS 21 -6.095 -6.698 -5.617 159 H ASN 22 HN ASN 22 -9.361 -4.542 -0.004 160 HA ASN 22 HA ASN 22 -11.199 -2.777 1.040 161 1HB ASN 22 HB2 ASN 22 -13.108 -4.240 1.798 162 2HB ASN 22 HB3 ASN 22 -13.100 -3.915 0.051 163 1HD2 ASN 22 HD22 ASN 22 -13.209 -7.755 1.350 164 2HD2 ASN 22 HD21 ASN 22 -13.379 -6.380 2.392 165 H THR 23 HN THR 23 -8.802 -3.009 1.873 166 HA THR 23 HA THR 23 -8.976 -4.404 4.389 167 HB THR 23 HB THR 23 -7.955 -6.031 2.635 168 HG1 THR 23 HG1 THR 23 -6.587 -6.826 4.170 169 1HG2 THR 23 HG22 THR 23 -6.274 -4.425 1.631 170 2HG2 THR 23 HG23 THR 23 -5.414 -4.394 3.233 171 3HG2 THR 23 HG21 THR 23 -5.535 -5.922 2.316 172 H SER 24 HN SER 24 -6.672 -3.773 5.517 173 HA SER 24 HA SER 24 -6.276 -0.878 4.986 174 1HB SER 24 HB2 SER 24 -6.717 -2.127 7.766 175 2HB SER 24 HB3 SER 24 -6.292 -0.401 7.408 176 HG SER 24 HG SER 24 -8.470 -0.695 7.760 177 H ARG 25 HN ARG 25 -4.976 -4.051 5.560 178 HA ARG 25 HA ARG 25 -2.465 -3.087 6.662 179 1HB ARG 25 HB2 ARG 25 -2.099 -5.800 6.509 180 2HB ARG 25 HB3 ARG 25 -2.751 -4.919 7.907 181 1HG ARG 25 HG2 ARG 25 -4.668 -5.909 5.767 182 2HG ARG 25 HG3 ARG 25 -4.010 -7.044 6.983 183 1HD ARG 25 HD2 ARG 25 -5.072 -6.068 8.815 184 2HD ARG 25 HD3 ARG 25 -5.179 -4.431 8.043 185 HE ARG 25 HE ARG 25 -6.740 -5.999 6.377 186 1HH1 ARG 25 HH22 ARG 25 -6.790 -5.130 9.846 187 2HH1 ARG 25 HH21 ARG 25 -8.515 -5.149 9.968 188 1HH2 ARG 25 HH12 ARG 25 -9.055 -6.112 6.581 189 2HH2 ARG 25 HH11 ARG 25 -9.824 -5.720 8.084 190 H GLY 26 HN GLY 26 -0.921 -2.615 5.487 191 1HA GLY 26 HA1 GLY 26 0.151 -3.570 3.183 192 2HA GLY 26 HA2 GLY 26 -1.170 -2.415 2.707 193 H LYS 27 HN LYS 27 1.983 -2.377 2.892 194 HA LYS 27 HA LYS 27 2.310 0.142 4.354 195 1HB LYS 27 HB2 LYS 27 4.269 -2.249 4.405 196 2HB LYS 27 HB3 LYS 27 4.477 -0.646 5.205 197 1HG LYS 27 HG2 LYS 27 2.360 -1.203 6.568 198 2HG LYS 27 HG3 LYS 27 2.441 -2.850 5.854 199 1HD LYS 27 HD2 LYS 27 3.438 -2.982 8.016 200 2HD LYS 27 HD3 LYS 27 4.789 -3.082 6.833 201 1HE LYS 27 HE2 LYS 27 5.350 -0.657 7.287 202 2HE LYS 27 HE3 LYS 27 3.932 -0.545 8.408 203 1HZ LYS 27 HZ3 LYS 27 4.958 -2.228 9.778 204 2HZ LYS 27 HZ1 LYS 27 6.291 -2.326 8.729 205 3HZ LYS 27 HZ2 LYS 27 5.980 -0.887 9.577 206 H CYS 28 HN CYS 28 5.273 -0.252 3.417 207 HA CYS 28 HA CYS 28 5.005 -0.214 0.558 208 1HB CYS 28 HB2 CYS 28 4.781 2.137 0.247 209 2HB CYS 28 HB3 CYS 28 4.395 2.186 1.956 210 H MET 29 HN MET 29 7.262 0.621 -0.340 211 HA MET 29 HA MET 29 9.228 -1.062 1.036 212 1HB MET 29 HB2 MET 29 8.193 -1.680 -1.265 213 2HB MET 29 HB3 MET 29 9.181 -0.364 -1.943 214 1HG MET 29 HG2 MET 29 11.225 -1.563 -0.863 215 2HG MET 29 HG3 MET 29 10.090 -2.856 -0.354 216 1HE MET 29 HE1 MET 29 12.769 -3.220 -1.923 217 2HE MET 29 HE2 MET 29 11.686 -4.567 -1.433 218 3HE MET 29 HE3 MET 29 12.313 -4.485 -3.114 219 H ASN 30 HN ASN 30 10.933 0.428 -1.217 220 HA ASN 30 HA ASN 30 11.776 2.649 0.405 221 1HB ASN 30 HB2 ASN 30 13.608 2.952 -1.230 222 2HB ASN 30 HB3 ASN 30 13.532 1.331 -0.486 223 1HD2 ASN 30 HD22 ASN 30 14.405 0.922 -4.083 224 2HD2 ASN 30 HD21 ASN 30 15.059 1.781 -2.729 225 H LYS 31 HN LYS 31 10.104 2.233 -2.697 226 HA LYS 31 HA LYS 31 9.633 5.135 -2.900 227 1HB LYS 31 HB2 LYS 31 10.781 3.244 -5.044 228 2HB LYS 31 HB3 LYS 31 10.243 4.927 -5.361 229 1HG LYS 31 HG2 LYS 31 11.986 5.823 -3.861 230 2HG LYS 31 HG3 LYS 31 12.541 4.154 -3.494 231 1HD LYS 31 HD2 LYS 31 14.057 5.012 -5.121 232 2HD LYS 31 HD3 LYS 31 13.041 3.749 -5.891 233 1HE LYS 31 HE2 LYS 31 13.403 5.675 -7.439 234 2HE LYS 31 HE3 LYS 31 11.654 5.564 -7.006 235 1HZ LYS 31 HZ2 LYS 31 13.655 7.395 -5.787 236 2HZ LYS 31 HZ3 LYS 31 12.462 7.808 -6.923 237 3HZ LYS 31 HZ1 LYS 31 12.012 7.290 -5.369 238 H LYS 32 HN LYS 32 7.945 2.173 -2.652 239 HA LYS 32 HA LYS 32 5.909 3.140 -4.490 240 1HB LYS 32 HB2 LYS 32 5.610 1.242 -5.725 241 2HB LYS 32 HB3 LYS 32 7.341 1.662 -5.878 242 1HG LYS 32 HG2 LYS 32 7.862 -0.113 -4.086 243 2HG LYS 32 HG3 LYS 32 6.133 -0.628 -4.209 244 1HD LYS 32 HD2 LYS 32 6.430 -0.946 -6.667 245 2HD LYS 32 HD3 LYS 32 8.178 -0.556 -6.483 246 1HE LYS 32 HE2 LYS 32 8.447 -2.543 -4.924 247 2HE LYS 32 HE3 LYS 32 6.691 -2.932 -5.133 248 1HZ LYS 32 HZ2 LYS 32 7.100 -3.234 -7.482 249 2HZ LYS 32 HZ3 LYS 32 8.748 -2.878 -7.279 250 3HZ LYS 32 HZ1 LYS 32 8.079 -4.256 -6.544 251 1HN ABA 33 HN ABA 33 3.829 2.126 -4.147 252 HA ABA 33 HA ABA 33 3.351 1.577 -1.354 253 1HB ABA 33 HB3 ABA 33 1.552 2.087 -3.794 254 2HB ABA 33 HB2 ABA 33 2.116 3.295 -2.579 255 1HG ABA 33 HG1 ABA 33 -0.126 2.776 -1.984 256 2HG ABA 33 HG2 ABA 33 0.171 0.990 -1.996 257 3HG ABA 33 HG3 ABA 33 1.002 2.033 -0.788 258 H ARG 34 HN ARG 34 2.396 -0.340 -0.607 259 HA ARG 34 HA ARG 34 2.199 -2.624 -2.438 260 1HB ARG 34 HB2 ARG 34 4.407 -2.149 -0.674 261 2HB ARG 34 HB3 ARG 34 3.451 -3.428 0.124 262 1HG ARG 34 HG2 ARG 34 3.509 -4.790 -1.950 263 2HG ARG 34 HG3 ARG 34 4.368 -3.467 -2.821 264 1HD ARG 34 HD2 ARG 34 6.328 -3.667 -1.306 265 2HD ARG 34 HD3 ARG 34 5.499 -4.947 -0.343 266 HE ARG 34 HE ARG 34 6.738 -5.193 -3.044 267 1HH1 ARG 34 HH22 ARG 34 4.516 -6.728 -0.691 268 2HH1 ARG 34 HH21 ARG 34 4.664 -8.305 -1.394 269 1HH2 ARG 34 HH12 ARG 34 6.907 -7.311 -3.961 270 2HH2 ARG 34 HH11 ARG 34 6.036 -8.640 -3.270 271 H CYS 35 HN CYS 35 1.184 -4.526 -1.095 272 HA CYS 35 HA CYS 35 -0.645 -3.633 0.908 273 1HB CYS 35 HB2 CYS 35 -1.741 -3.223 -1.443 274 2HB CYS 35 HB3 CYS 35 -1.929 -4.991 -1.522 275 H TYR 36 HN TYR 36 -1.180 -5.256 2.197 276 HA TYR 36 HA TYR 36 0.288 -7.812 1.923 277 1HB TYR 36 HB2 TYR 36 0.469 -5.546 3.990 278 2HB TYR 36 HB3 TYR 36 0.903 -7.222 4.495 279 HD1 TYR 36 HD1 TYR 36 2.526 -8.418 2.574 280 HD2 TYR 36 HD2 TYR 36 2.299 -4.246 3.564 281 HE1 TYR 36 HE1 TYR 36 4.867 -8.118 1.856 282 HE2 TYR 36 HE2 TYR 36 4.625 -3.929 2.826 283 HH TYR 36 HH TYR 36 6.499 -4.924 2.064 284 H SER 37 HN SER 37 -1.989 -8.417 1.368 285 HA SER 37 HA SER 37 -4.027 -8.205 3.362 286 1HB SER 37 HB2 SER 37 -3.888 -9.880 0.788 287 2HB SER 37 HB3 SER 37 -5.354 -9.633 1.815 288 HG SER 37 HG SER 37 -5.253 -8.229 0.050 No H/Q in entry = 288 Start of MODEL 21 1 HA PCA 1 HA PGL 1 -3.654 -7.540 -5.594 2 1HB PCA 1 HB2 PGL 1 -3.026 -8.218 -2.656 3 2HB PCA 1 HB3 PGL 1 -4.637 -7.968 -3.434 4 1HG PCA 1 HG2 PGL 1 -3.495 -10.486 -2.901 5 2HG PCA 1 HG3 PGL 1 -4.608 -10.204 -4.316 6 HN PCA 1 HN PGL 1 -1.413 -8.723 -6.000 7 H PHE 2 HN PHE 2 -0.860 -6.977 -6.138 8 HA PHE 2 HA PHE 2 -0.007 -4.949 -4.199 9 1HB PHE 2 HB2 PHE 2 1.442 -6.337 -6.552 10 2HB PHE 2 HB3 PHE 2 2.180 -5.064 -5.498 11 HD1 PHE 2 HD1 PHE 2 2.634 -5.493 -3.153 12 HD2 PHE 2 HD2 PHE 2 1.049 -8.592 -5.667 13 HE1 PHE 2 HE1 PHE 2 3.246 -7.183 -1.450 14 HE2 PHE 2 HE2 PHE 2 1.644 -10.281 -3.962 15 HZ PHE 2 HZ PHE 2 2.744 -9.582 -1.849 16 H THR 3 HN THR 3 0.610 -2.832 -4.918 17 HA THR 3 HA THR 3 -0.948 -1.875 -7.215 18 HB THR 3 HB THR 3 -1.220 0.189 -6.172 19 HG1 THR 3 HG1 THR 3 -0.255 0.610 -4.127 20 1HG2 THR 3 HG21 THR 3 -2.537 -1.786 -5.165 21 2HG2 THR 3 HG22 THR 3 -1.345 -1.822 -3.821 22 3HG2 THR 3 HG23 THR 3 -2.347 -0.359 -4.069 23 H ASN 4 HN ASN 4 0.242 0.496 -7.855 24 HA ASN 4 HA ASN 4 3.100 0.280 -7.977 25 1HB ASN 4 HB2 ASN 4 3.064 0.680 -10.539 26 2HB ASN 4 HB3 ASN 4 2.808 -0.984 -9.959 27 1HD2 ASN 4 HD22 ASN 4 -0.304 -1.421 -11.535 28 2HD2 ASN 4 HD21 ASN 4 1.041 -2.099 -10.683 29 H VAL 5 HN VAL 5 1.746 1.883 -6.364 30 HA VAL 5 HA VAL 5 1.729 4.551 -7.618 31 HB VAL 5 HB VAL 5 1.041 4.050 -4.698 32 1HG1 VAL 5 HG12 VAL 5 0.047 5.994 -6.905 33 2HG1 VAL 5 HG13 VAL 5 -0.549 5.938 -5.206 34 3HG1 VAL 5 HG11 VAL 5 1.141 6.430 -5.540 35 1HG2 VAL 5 HG22 VAL 5 -0.709 3.388 -7.141 36 2HG2 VAL 5 HG23 VAL 5 -0.237 2.321 -5.750 37 3HG2 VAL 5 HG21 VAL 5 -1.344 3.712 -5.490 38 H SER 6 HN SER 6 2.718 6.103 -5.529 39 HA SER 6 HA SER 6 5.427 5.074 -4.972 40 1HB SER 6 HB2 SER 6 6.139 7.512 -4.810 41 2HB SER 6 HB3 SER 6 5.782 6.861 -6.435 42 HG SER 6 HG SER 6 4.003 8.385 -4.837 43 H CYS 7 HN CYS 7 6.092 4.970 -2.930 44 HA CYS 7 HA CYS 7 4.545 6.384 -0.805 45 1HB CYS 7 HB2 CYS 7 3.303 4.489 -0.851 46 2HB CYS 7 HB3 CYS 7 4.679 3.402 -0.963 47 H THR 8 HN THR 8 5.707 6.784 0.994 48 HA THR 8 HA THR 8 8.504 5.926 1.219 49 HB THR 8 HB THR 8 9.090 8.225 2.151 50 HG1 THR 8 HG1 THR 8 6.917 8.971 2.239 51 1HG2 THR 8 HG23 THR 8 9.882 7.349 -0.059 52 2HG2 THR 8 HG21 THR 8 8.417 8.027 -0.860 53 3HG2 THR 8 HG22 THR 8 9.611 9.129 -0.084 54 H THR 9 HN THR 9 5.597 7.415 2.756 55 HA THR 9 HA THR 9 6.344 6.295 5.369 56 HB THR 9 HB THR 9 4.496 7.868 6.207 57 HG1 THR 9 HG1 THR 9 4.127 9.622 4.842 58 1HG2 THR 9 HG21 THR 9 6.937 8.267 6.472 59 2HG2 THR 9 HG22 THR 9 6.992 9.078 4.857 60 3HG2 THR 9 HG23 THR 9 6.018 9.795 6.200 61 H SER 10 HN SER 10 5.226 4.629 6.206 62 HA SER 10 HA SER 10 3.094 3.398 4.689 63 1HB SER 10 HB2 SER 10 3.423 1.488 6.324 64 2HB SER 10 HB3 SER 10 4.846 1.925 5.326 65 HG SER 10 HG SER 10 4.397 2.745 7.996 66 H LYS 11 HN LYS 11 1.636 5.188 5.077 67 HA LYS 11 HA LYS 11 -0.318 4.654 6.916 68 1HB LYS 11 HB2 LYS 11 1.584 6.012 8.364 69 2HB LYS 11 HB3 LYS 11 0.625 7.397 7.794 70 1HG LYS 11 HG2 LYS 11 -1.431 6.365 8.789 71 2HG LYS 11 HG3 LYS 11 -0.525 4.841 9.085 72 1HD LYS 11 HD2 LYS 11 1.018 6.106 10.659 73 2HD LYS 11 HD3 LYS 11 -0.043 7.545 10.468 74 1HE LYS 11 HE2 LYS 11 -0.608 6.317 12.558 75 2HE LYS 11 HE3 LYS 11 -1.990 6.192 11.393 76 1HZ LYS 11 HZ3 LYS 11 0.104 4.132 11.864 77 2HZ LYS 11 HZ1 LYS 11 -1.490 4.104 12.453 78 3HZ LYS 11 HZ2 LYS 11 -1.197 4.009 10.782 79 H GLU 12 HN GLU 12 1.350 6.959 4.742 80 HA GLU 12 HA GLU 12 -0.570 8.492 3.742 81 1HB GLU 12 HB2 GLU 12 1.981 8.306 3.511 82 2HB GLU 12 HB3 GLU 12 1.758 7.160 2.190 83 1HG GLU 12 HG2 GLU 12 0.494 9.983 2.221 84 2HG GLU 12 HG3 GLU 12 2.203 9.705 1.731 85 1HN ABA 13 HN ABA 13 0.233 5.169 2.682 86 HA ABA 13 HA ABA 13 -1.639 5.266 0.414 87 1HB ABA 13 HB3 ABA 13 0.717 4.975 -0.104 88 2HB ABA 13 HB2 ABA 13 -0.234 3.549 -0.550 89 1HG ABA 13 HG1 ABA 13 1.549 3.848 1.966 90 2HG ABA 13 HG2 ABA 13 0.683 2.324 1.489 91 3HG ABA 13 HG3 ABA 13 1.970 3.017 0.429 92 H TRP 14 HN TRP 14 -2.564 4.780 3.190 93 HA TRP 14 HA TRP 14 -3.356 1.996 3.245 94 1HB TRP 14 HB2 TRP 14 -3.663 4.348 5.193 95 2HB TRP 14 HB3 TRP 14 -4.488 2.774 5.472 96 HD1 TRP 14 HD1 TRP 14 -0.705 3.203 4.341 97 HE1 TRP 14 HE1 TRP 14 0.594 1.571 5.752 98 HE3 TRP 14 HE3 TRP 14 -4.409 1.926 7.637 99 HZ2 TRP 14 HZ2 TRP 14 0.148 -0.110 8.013 100 HZ3 TRP 14 HZ3 TRP 14 -3.924 0.211 9.349 101 HH2 TRP 14 HH2 TRP 14 -1.693 -0.858 9.463 102 H SER 15 HN SER 15 -4.753 4.999 2.022 103 HA SER 15 HA SER 15 -7.430 3.913 1.902 104 1HB SER 15 HB2 SER 15 -8.005 6.136 0.873 105 2HB SER 15 HB3 SER 15 -7.319 6.228 2.528 106 HG SER 15 HG SER 15 -5.881 6.642 0.122 107 H VAL 16 HN VAL 16 -4.592 3.376 0.302 108 HA VAL 16 HA VAL 16 -5.625 3.307 -2.422 109 HB VAL 16 HB VAL 16 -2.832 2.719 -1.318 110 1HG1 VAL 16 HG11 VAL 16 -3.851 3.099 -4.222 111 2HG1 VAL 16 HG12 VAL 16 -2.128 2.972 -3.697 112 3HG1 VAL 16 HG13 VAL 16 -3.210 1.563 -3.520 113 1HG2 VAL 16 HG22 VAL 16 -4.047 5.227 -2.662 114 2HG2 VAL 16 HG23 VAL 16 -3.498 5.097 -0.948 115 3HG2 VAL 16 HG21 VAL 16 -2.301 4.979 -2.280 116 H CYS 17 HN CYS 17 -4.454 1.100 0.199 117 HA CYS 17 HA CYS 17 -5.167 -1.305 -1.222 118 1HB CYS 17 HB2 CYS 17 -4.154 -0.574 1.555 119 2HB CYS 17 HB3 CYS 17 -4.847 -2.204 1.341 120 H GLN 18 HN GLN 18 -7.134 1.027 0.438 121 HA GLN 18 HA GLN 18 -9.049 -0.812 1.488 122 1HB GLN 18 HB2 GLN 18 -8.188 1.268 2.584 123 2HB GLN 18 HB3 GLN 18 -9.011 2.272 1.363 124 1HG GLN 18 HG2 GLN 18 -10.417 0.123 3.040 125 2HG GLN 18 HG3 GLN 18 -10.078 1.772 3.720 126 1HE2 GLN 18 HE22 GLN 18 -13.519 1.298 1.745 127 2HE2 GLN 18 HE21 GLN 18 -12.613 0.059 2.552 128 H ARG 19 HN ARG 19 -8.923 1.769 -0.980 129 HA ARG 19 HA ARG 19 -11.561 1.309 -1.972 130 1HB ARG 19 HB2 ARG 19 -9.349 3.151 -2.973 131 2HB ARG 19 HB3 ARG 19 -11.018 3.059 -3.657 132 1HG ARG 19 HG2 ARG 19 -11.894 3.481 -1.285 133 2HG ARG 19 HG3 ARG 19 -10.227 3.970 -0.846 134 1HD ARG 19 HD2 ARG 19 -11.070 5.212 -3.415 135 2HD ARG 19 HD3 ARG 19 -12.337 5.505 -2.176 136 HE ARG 19 HE ARG 19 -9.505 6.513 -2.227 137 1HH1 ARG 19 HH12 ARG 19 -12.507 6.211 -0.300 138 2HH1 ARG 19 HH11 ARG 19 -12.126 7.544 0.738 139 1HH2 ARG 19 HH22 ARG 19 -9.024 8.297 -0.828 140 2HH2 ARG 19 HH21 ARG 19 -10.126 8.744 0.433 141 H LEU 20 HN LEU 20 -8.428 -0.075 -2.793 142 HA LEU 20 HA LEU 20 -9.172 -0.830 -5.479 143 1HB LEU 20 HB2 LEU 20 -6.907 0.017 -4.990 144 2HB LEU 20 HB3 LEU 20 -6.661 -1.289 -3.790 145 HG LEU 20 HG LEU 20 -6.810 -2.982 -5.567 146 1HD1 LEU 20 HD12 LEU 20 -6.991 -0.618 -7.557 147 2HD1 LEU 20 HD13 LEU 20 -6.701 -2.341 -8.004 148 3HD1 LEU 20 HD11 LEU 20 -8.268 -1.859 -7.266 149 1HD2 LEU 20 HD23 LEU 20 -4.641 -2.067 -4.884 150 2HD2 LEU 20 HD21 LEU 20 -4.617 -2.513 -6.632 151 3HD2 LEU 20 HD22 LEU 20 -4.747 -0.779 -6.145 152 H HIS 21 HN HIS 21 -8.586 -2.318 -2.208 153 HA HIS 21 HA HIS 21 -9.789 -4.833 -3.148 154 1HB HIS 21 HB2 HIS 21 -7.537 -4.390 -1.099 155 2HB HIS 21 HB3 HIS 21 -8.337 -5.968 -1.453 156 HD1 HIS 21 HD1 HIS 21 -7.994 -6.822 -4.040 157 HD2 HIS 21 HD2 HIS 21 -5.471 -3.690 -2.834 158 HE1 HIS 21 HE1 HIS 21 -6.063 -6.664 -5.706 159 H ASN 22 HN ASN 22 -9.065 -4.628 0.126 160 HA ASN 22 HA ASN 22 -11.141 -3.194 1.237 161 1HB ASN 22 HB2 ASN 22 -12.755 -5.042 1.970 162 2HB ASN 22 HB3 ASN 22 -12.864 -4.544 0.268 163 1HD2 ASN 22 HD22 ASN 22 -13.273 -8.109 -0.041 164 2HD2 ASN 22 HD21 ASN 22 -14.127 -6.661 0.376 165 H THR 23 HN THR 23 -8.722 -3.076 2.051 166 HA THR 23 HA THR 23 -8.730 -4.477 4.570 167 HB THR 23 HB THR 23 -7.452 -5.969 2.933 168 HG1 THR 23 HG1 THR 23 -7.242 -6.054 5.154 169 1HG2 THR 23 HG23 THR 23 -6.191 -4.088 1.728 170 2HG2 THR 23 HG21 THR 23 -5.233 -3.858 3.256 171 3HG2 THR 23 HG22 THR 23 -5.148 -5.412 2.371 172 H SER 24 HN SER 24 -6.627 -3.535 5.760 173 HA SER 24 HA SER 24 -6.412 -0.637 5.191 174 1HB SER 24 HB2 SER 24 -6.574 -1.991 7.957 175 2HB SER 24 HB3 SER 24 -6.219 -0.243 7.655 176 HG SER 24 HG SER 24 -8.240 -0.121 6.630 177 H ARG 25 HN ARG 25 -4.932 -3.743 5.520 178 HA ARG 25 HA ARG 25 -2.410 -2.805 6.610 179 1HB ARG 25 HB2 ARG 25 -3.604 -5.560 5.977 180 2HB ARG 25 HB3 ARG 25 -1.879 -5.341 6.426 181 1HG ARG 25 HG2 ARG 25 -3.088 -6.081 8.337 182 2HG ARG 25 HG3 ARG 25 -2.453 -4.424 8.601 183 1HD ARG 25 HD2 ARG 25 -4.705 -4.789 9.603 184 2HD ARG 25 HD3 ARG 25 -4.736 -3.467 8.377 185 HE ARG 25 HE ARG 25 -5.570 -5.269 6.704 186 1HH1 ARG 25 HH22 ARG 25 -6.396 -5.304 10.196 187 2HH1 ARG 25 HH21 ARG 25 -7.891 -6.148 9.964 188 1HH2 ARG 25 HH12 ARG 25 -7.563 -6.458 6.446 189 2HH2 ARG 25 HH11 ARG 25 -8.558 -6.808 7.820 190 H GLY 26 HN GLY 26 -1.069 -1.930 5.230 191 1HA GLY 26 HA1 GLY 26 -0.098 -3.113 2.901 192 2HA GLY 26 HA2 GLY 26 -1.415 -1.930 2.479 193 H LYS 27 HN LYS 27 1.872 -2.282 2.984 194 HA LYS 27 HA LYS 27 2.331 0.409 4.087 195 1HB LYS 27 HB2 LYS 27 4.254 -2.003 4.211 196 2HB LYS 27 HB3 LYS 27 4.391 -0.418 5.047 197 1HG LYS 27 HG2 LYS 27 2.342 -1.054 6.416 198 2HG LYS 27 HG3 LYS 27 2.302 -2.616 5.516 199 1HD LYS 27 HD2 LYS 27 3.267 -3.133 7.570 200 2HD LYS 27 HD3 LYS 27 4.622 -3.156 6.398 201 1HE LYS 27 HE2 LYS 27 3.982 -0.757 8.271 202 2HE LYS 27 HE3 LYS 27 5.080 -2.122 8.725 203 1HZ LYS 27 HZ1 LYS 27 6.481 -1.570 6.866 204 2HZ LYS 27 HZ2 LYS 27 5.460 -0.286 6.425 205 3HZ LYS 27 HZ3 LYS 27 6.283 -0.244 7.909 206 H CYS 28 HN CYS 28 5.246 -0.111 3.278 207 HA CYS 28 HA CYS 28 5.190 -0.518 0.450 208 1HB CYS 28 HB2 CYS 28 6.161 1.807 -0.114 209 2HB CYS 28 HB3 CYS 28 4.447 1.703 0.317 210 H MET 29 HN MET 29 7.454 0.017 -0.469 211 HA MET 29 HA MET 29 9.481 -1.059 1.307 212 1HB MET 29 HB2 MET 29 8.790 -2.069 -0.976 213 2HB MET 29 HB3 MET 29 9.719 -0.745 -1.716 214 1HG MET 29 HG2 MET 29 11.694 -1.524 -0.198 215 2HG MET 29 HG3 MET 29 10.653 -2.897 0.296 216 1HE MET 29 HE2 MET 29 10.008 -4.883 -1.100 217 2HE MET 29 HE3 MET 29 9.147 -3.858 -2.301 218 3HE MET 29 HE1 MET 29 10.309 -5.105 -2.857 219 H ASN 30 HN ASN 30 11.097 0.489 -1.088 220 HA ASN 30 HA ASN 30 11.660 2.823 0.503 221 1HB ASN 30 HB2 ASN 30 13.464 3.276 -1.225 222 2HB ASN 30 HB3 ASN 30 13.599 1.798 -0.240 223 1HD2 ASN 30 HD22 ASN 30 13.569 -0.477 -2.932 224 2HD2 ASN 30 HD21 ASN 30 13.655 -0.218 -1.221 225 H LYS 31 HN LYS 31 10.048 2.202 -2.591 226 HA LYS 31 HA LYS 31 9.358 5.056 -2.844 227 1HB LYS 31 HB2 LYS 31 10.952 3.349 -4.817 228 2HB LYS 31 HB3 LYS 31 10.106 4.819 -5.367 229 1HG LYS 31 HG2 LYS 31 12.267 4.819 -3.230 230 2HG LYS 31 HG3 LYS 31 12.473 5.219 -4.976 231 1HD LYS 31 HD2 LYS 31 10.793 7.088 -4.699 232 2HD LYS 31 HD3 LYS 31 10.740 6.736 -2.931 233 1HE LYS 31 HE2 LYS 31 13.213 7.232 -2.769 234 2HE LYS 31 HE3 LYS 31 13.230 7.630 -4.536 235 1HZ LYS 31 HZ2 LYS 31 11.616 9.365 -4.091 236 2HZ LYS 31 HZ3 LYS 31 11.643 9.008 -2.431 237 3HZ LYS 31 HZ1 LYS 31 13.045 9.583 -3.198 238 H LYS 32 HN LYS 32 7.923 1.947 -2.844 239 HA LYS 32 HA LYS 32 5.818 3.089 -4.502 240 1HB LYS 32 HB2 LYS 32 5.509 1.413 -5.960 241 2HB LYS 32 HB3 LYS 32 7.273 1.690 -6.048 242 1HG LYS 32 HG2 LYS 32 7.587 -0.331 -4.473 243 2HG LYS 32 HG3 LYS 32 5.818 -0.638 -4.640 244 1HD LYS 32 HD2 LYS 32 6.243 -0.501 -7.202 245 2HD LYS 32 HD3 LYS 32 7.970 -0.779 -6.777 246 1HE LYS 32 HE2 LYS 32 5.539 -2.608 -6.101 247 2HE LYS 32 HE3 LYS 32 6.831 -2.962 -7.318 248 1HZ LYS 32 HZ1 LYS 32 7.214 -2.672 -4.384 249 2HZ LYS 32 HZ2 LYS 32 7.153 -4.129 -5.255 250 3HZ LYS 32 HZ3 LYS 32 8.424 -3.034 -5.521 251 1HN ABA 33 HN ABA 33 3.741 2.270 -4.084 252 HA ABA 33 HA ABA 33 3.296 1.345 -1.433 253 1HB ABA 33 HB3 ABA 33 1.497 1.992 -3.801 254 2HB ABA 33 HB2 ABA 33 1.926 3.043 -2.424 255 1HG ABA 33 HG1 ABA 33 -0.321 2.179 -2.049 256 2HG ABA 33 HG2 ABA 33 0.211 0.472 -2.229 257 3HG ABA 33 HG3 ABA 33 0.818 1.445 -0.845 258 H ARG 34 HN ARG 34 2.627 -0.708 -0.783 259 HA ARG 34 HA ARG 34 2.225 -2.817 -2.803 260 1HB ARG 34 HB2 ARG 34 3.672 -3.185 -0.108 261 2HB ARG 34 HB3 ARG 34 3.320 -4.444 -1.343 262 1HG ARG 34 HG2 ARG 34 4.767 -2.782 -2.910 263 2HG ARG 34 HG3 ARG 34 5.431 -2.273 -1.322 264 1HD ARG 34 HD2 ARG 34 5.425 -5.062 -2.642 265 2HD ARG 34 HD3 ARG 34 6.870 -4.051 -2.202 266 HE ARG 34 HE ARG 34 5.547 -4.471 0.247 267 1HH1 ARG 34 HH22 ARG 34 6.790 -6.645 -2.300 268 2HH1 ARG 34 HH21 ARG 34 6.977 -8.003 -1.239 269 1HH2 ARG 34 HH12 ARG 34 5.805 -6.314 1.659 270 2HH2 ARG 34 HH11 ARG 34 6.410 -7.811 1.034 271 H CYS 35 HN CYS 35 1.384 -4.777 -1.048 272 HA CYS 35 HA CYS 35 -0.500 -3.716 0.793 273 1HB CYS 35 HB2 CYS 35 -1.563 -4.036 -1.709 274 2HB CYS 35 HB3 CYS 35 -1.806 -5.692 -1.106 275 H TYR 36 HN TYR 36 -0.922 -5.218 2.302 276 HA TYR 36 HA TYR 36 1.065 -7.417 2.435 277 1HB TYR 36 HB2 TYR 36 0.509 -4.982 4.156 278 2HB TYR 36 HB3 TYR 36 1.074 -6.462 5.023 279 HD1 TYR 36 HD1 TYR 36 1.956 -3.969 2.356 280 HD2 TYR 36 HD2 TYR 36 3.369 -7.038 5.011 281 HE1 TYR 36 HE1 TYR 36 4.272 -3.221 1.987 282 HE2 TYR 36 HE2 TYR 36 5.696 -6.301 4.615 283 HH TYR 36 HH TYR 36 6.429 -3.510 2.467 284 H SER 37 HN SER 37 -2.095 -6.422 2.709 285 HA SER 37 HA SER 37 -3.986 -7.239 3.177 286 1HB SER 37 HB2 SER 37 -4.579 -9.538 2.787 287 2HB SER 37 HB3 SER 37 -3.343 -8.998 1.596 288 HG SER 37 HG SER 37 -1.787 -10.029 2.922 No H/Q in entry = 288 Start of MODEL 22 1 HA PCA 1 HA PGL 1 -4.245 -8.260 -5.158 2 1HB PCA 1 HB2 PGL 1 -1.616 -9.381 -6.305 3 2HB PCA 1 HB3 PGL 1 -2.870 -10.234 -5.325 4 1HG PCA 1 HG2 PGL 1 -2.671 -10.398 -8.123 5 2HG PCA 1 HG3 PGL 1 -4.276 -10.500 -7.265 6 HN PCA 1 HN PGL 1 -3.989 -6.615 -7.119 7 H PHE 2 HN PHE 2 -1.512 -6.619 -6.779 8 HA PHE 2 HA PHE 2 -0.670 -5.353 -4.255 9 1HB PHE 2 HB2 PHE 2 1.046 -6.280 -6.668 10 2HB PHE 2 HB3 PHE 2 1.657 -5.273 -5.300 11 HD1 PHE 2 HD2 PHE 2 1.323 -6.210 -2.901 12 HD2 PHE 2 HD1 PHE 2 1.103 -8.622 -6.456 13 HE1 PHE 2 HE2 PHE 2 1.719 -8.245 -1.550 14 HE2 PHE 2 HE1 PHE 2 1.498 -10.652 -5.102 15 HZ PHE 2 HZ PHE 2 1.798 -10.469 -2.646 16 H THR 3 HN THR 3 0.237 -3.196 -4.618 17 HA THR 3 HA THR 3 -1.103 -1.731 -6.781 18 HB THR 3 HB THR 3 -0.632 0.243 -5.158 19 HG1 THR 3 HG1 THR 3 -0.098 -0.210 -3.222 20 1HG2 THR 3 HG23 THR 3 -2.635 -2.004 -4.479 21 2HG2 THR 3 HG21 THR 3 -2.710 -0.314 -3.865 22 3HG2 THR 3 HG22 THR 3 -2.860 -0.634 -5.637 23 H ASN 4 HN ASN 4 0.087 0.000 -7.805 24 HA ASN 4 HA ASN 4 3.001 -0.159 -7.696 25 1HB ASN 4 HB2 ASN 4 3.091 -0.234 -10.220 26 2HB ASN 4 HB3 ASN 4 2.533 -1.743 -9.452 27 1HD2 ASN 4 HD22 ASN 4 0.168 0.113 -12.218 28 2HD2 ASN 4 HD21 ASN 4 1.743 0.697 -11.793 29 H VAL 5 HN VAL 5 1.637 1.669 -6.358 30 HA VAL 5 HA VAL 5 1.605 4.139 -7.933 31 HB VAL 5 HB VAL 5 1.010 3.964 -4.946 32 1HG1 VAL 5 HG11 VAL 5 -0.089 5.640 -7.326 33 2HG1 VAL 5 HG12 VAL 5 -0.636 5.767 -5.614 34 3HG1 VAL 5 HG13 VAL 5 1.031 6.253 -6.052 35 1HG2 VAL 5 HG22 VAL 5 -0.800 3.012 -7.241 36 2HG2 VAL 5 HG23 VAL 5 -0.270 2.125 -5.747 37 3HG2 VAL 5 HG21 VAL 5 -1.392 3.519 -5.622 38 H SER 6 HN SER 6 2.623 5.951 -6.088 39 HA SER 6 HA SER 6 5.303 4.972 -5.328 40 1HB SER 6 HB2 SER 6 6.121 7.368 -5.601 41 2HB SER 6 HB3 SER 6 5.803 6.425 -7.083 42 HG SER 6 HG SER 6 4.020 8.292 -5.907 43 H CYS 7 HN CYS 7 5.783 5.115 -3.282 44 HA CYS 7 HA CYS 7 3.801 6.401 -1.477 45 1HB CYS 7 HB2 CYS 7 4.240 4.931 0.222 46 2HB CYS 7 HB3 CYS 7 4.237 3.946 -1.224 47 H THR 8 HN THR 8 4.759 7.170 0.671 48 HA THR 8 HA THR 8 7.359 8.512 0.393 49 HB THR 8 HB THR 8 6.417 10.336 1.922 50 HG1 THR 8 HG1 THR 8 3.993 9.317 0.838 51 1HG2 THR 8 HG23 THR 8 7.035 10.658 -0.478 52 2HG2 THR 8 HG21 THR 8 5.384 10.144 -0.986 53 3HG2 THR 8 HG22 THR 8 5.605 11.647 -0.015 54 H THR 9 HN THR 9 4.743 7.471 2.654 55 HA THR 9 HA THR 9 6.745 6.198 4.390 56 HB THR 9 HB THR 9 5.344 6.914 6.372 57 HG1 THR 9 HG1 THR 9 3.533 7.607 5.159 58 1HG2 THR 9 HG22 THR 9 7.548 7.961 5.808 59 2HG2 THR 9 HG23 THR 9 6.704 9.196 4.798 60 3HG2 THR 9 HG21 THR 9 6.403 9.122 6.571 61 H SER 10 HN SER 10 5.814 4.523 5.720 62 HA SER 10 HA SER 10 3.870 2.889 4.323 63 1HB SER 10 HB2 SER 10 5.710 2.321 6.729 64 2HB SER 10 HB3 SER 10 4.691 1.098 5.873 65 HG SER 10 HG SER 10 5.869 1.592 3.997 66 H LYS 11 HN LYS 11 2.290 4.806 5.136 67 HA LYS 11 HA LYS 11 0.600 3.831 7.133 68 1HB LYS 11 HB2 LYS 11 0.703 5.715 8.765 69 2HB LYS 11 HB3 LYS 11 2.131 4.643 8.775 70 1HG LYS 11 HG2 LYS 11 3.469 6.279 7.523 71 2HG LYS 11 HG3 LYS 11 2.076 7.415 7.444 72 1HD LYS 11 HD2 LYS 11 2.017 7.604 9.894 73 2HD LYS 11 HD3 LYS 11 3.313 6.374 10.073 74 1HE LYS 11 HE2 LYS 11 3.697 9.086 8.621 75 2HE LYS 11 HE3 LYS 11 4.112 8.779 10.357 76 1HZ LYS 11 HZ2 LYS 11 5.623 7.063 9.647 77 2HZ LYS 11 HZ3 LYS 11 5.240 7.341 8.017 78 3HZ LYS 11 HZ1 LYS 11 6.006 8.552 8.927 79 H GLU 12 HN GLU 12 1.673 6.502 4.965 80 HA GLU 12 HA GLU 12 -0.690 7.903 4.858 81 1HB GLU 12 HB2 GLU 12 1.879 8.282 4.235 82 2HB GLU 12 HB3 GLU 12 1.376 7.908 2.587 83 1HG GLU 12 HG2 GLU 12 0.146 10.065 4.448 84 2HG GLU 12 HG3 GLU 12 1.454 10.374 3.251 85 1HN ABA 13 HN ABA 13 0.444 5.107 3.040 86 HA ABA 13 HA ABA 13 -1.564 5.340 0.905 87 1HB ABA 13 HB3 ABA 13 0.758 5.337 0.229 88 2HB ABA 13 HB2 ABA 13 -0.035 3.851 -0.323 89 1HG ABA 13 HG1 ABA 13 1.083 2.609 1.629 90 2HG ABA 13 HG2 ABA 13 2.240 3.402 0.503 91 3HG ABA 13 HG3 ABA 13 1.881 4.159 2.103 92 H TRP 14 HN TRP 14 -2.444 4.536 3.498 93 HA TRP 14 HA TRP 14 -3.099 1.725 3.343 94 1HB TRP 14 HB2 TRP 14 -3.595 3.942 5.389 95 2HB TRP 14 HB3 TRP 14 -4.392 2.338 5.535 96 HD1 TRP 14 HD1 TRP 14 -0.601 2.566 4.479 97 HE1 TRP 14 HE1 TRP 14 0.629 1.081 6.104 98 HE3 TRP 14 HE3 TRP 14 -4.390 1.789 7.832 99 HZ2 TRP 14 HZ2 TRP 14 0.108 -0.280 8.555 100 HZ3 TRP 14 HZ3 TRP 14 -3.975 0.300 9.760 101 HH2 TRP 14 HH2 TRP 14 -1.770 -0.784 10.062 102 H SER 15 HN SER 15 -4.575 4.751 2.252 103 HA SER 15 HA SER 15 -7.222 3.625 2.014 104 1HB SER 15 HB2 SER 15 -7.818 5.909 1.127 105 2HB SER 15 HB3 SER 15 -7.159 5.901 2.796 106 HG SER 15 HG SER 15 -5.689 6.490 0.448 107 H VAL 16 HN VAL 16 -4.332 3.398 0.391 108 HA VAL 16 HA VAL 16 -5.422 3.232 -2.329 109 HB VAL 16 HB VAL 16 -2.576 2.895 -1.202 110 1HG1 VAL 16 HG12 VAL 16 -3.602 3.078 -4.119 111 2HG1 VAL 16 HG13 VAL 16 -1.877 3.211 -3.597 112 3HG1 VAL 16 HG11 VAL 16 -2.763 1.677 -3.345 113 1HG2 VAL 16 HG23 VAL 16 -3.971 5.291 -2.561 114 2HG2 VAL 16 HG21 VAL 16 -3.384 5.204 -0.856 115 3HG2 VAL 16 HG22 VAL 16 -2.206 5.170 -2.210 116 H CYS 17 HN CYS 17 -4.433 1.173 0.409 117 HA CYS 17 HA CYS 17 -4.764 -1.302 -0.959 118 1HB CYS 17 HB2 CYS 17 -4.675 -0.377 1.944 119 2HB CYS 17 HB3 CYS 17 -5.233 -2.039 1.628 120 H GLN 18 HN GLN 18 -7.044 1.040 0.478 121 HA GLN 18 HA GLN 18 -9.156 -0.810 0.924 122 1HB GLN 18 HB2 GLN 18 -8.415 0.994 2.475 123 2HB GLN 18 HB3 GLN 18 -8.916 2.230 1.281 124 1HG GLN 18 HG2 GLN 18 -11.289 1.485 1.487 125 2HG GLN 18 HG3 GLN 18 -10.766 0.111 2.543 126 1HE2 GLN 18 HE22 GLN 18 -11.393 2.178 5.371 127 2HE2 GLN 18 HE21 GLN 18 -11.721 0.705 4.518 128 H ARG 19 HN ARG 19 -8.375 1.798 -1.409 129 HA ARG 19 HA ARG 19 -10.988 1.889 -2.597 130 1HB ARG 19 HB2 ARG 19 -8.306 3.248 -3.129 131 2HB ARG 19 HB3 ARG 19 -9.701 3.535 -4.223 132 1HG ARG 19 HG2 ARG 19 -10.186 3.940 -1.258 133 2HG ARG 19 HG3 ARG 19 -9.144 5.113 -2.127 134 1HD ARG 19 HD2 ARG 19 -11.519 5.865 -2.092 135 2HD ARG 19 HD3 ARG 19 -10.875 5.603 -3.776 136 HE ARG 19 HE ARG 19 -12.039 3.152 -3.129 137 1HH1 ARG 19 HH12 ARG 19 -13.286 6.505 -3.210 138 2HH1 ARG 19 HH11 ARG 19 -14.870 6.033 -3.732 139 1HH2 ARG 19 HH22 ARG 19 -14.156 2.554 -3.837 140 2HH2 ARG 19 HH21 ARG 19 -15.372 3.763 -4.092 141 H LEU 20 HN LEU 20 -8.113 0.037 -3.117 142 HA LEU 20 HA LEU 20 -8.624 -0.667 -5.887 143 1HB LEU 20 HB2 LEU 20 -6.460 -0.967 -3.801 144 2HB LEU 20 HB3 LEU 20 -6.501 -2.234 -5.075 145 HG LEU 20 HG LEU 20 -4.940 -0.393 -5.410 146 1HD1 LEU 20 HD13 LEU 20 -5.628 -1.885 -7.257 147 2HD1 LEU 20 HD11 LEU 20 -6.996 -0.785 -7.675 148 3HD1 LEU 20 HD12 LEU 20 -5.293 -0.225 -7.876 149 1HD2 LEU 20 HD22 LEU 20 -6.296 1.597 -4.716 150 2HD2 LEU 20 HD23 LEU 20 -5.564 1.785 -6.350 151 3HD2 LEU 20 HD21 LEU 20 -7.317 1.405 -6.191 152 H HIS 21 HN HIS 21 -8.077 -2.376 -2.755 153 HA HIS 21 HA HIS 21 -9.765 -4.617 -3.622 154 1HB HIS 21 HB2 HIS 21 -7.585 -4.441 -1.473 155 2HB HIS 21 HB3 HIS 21 -8.463 -5.937 -1.988 156 HD1 HIS 21 HD1 HIS 21 -7.958 -6.537 -4.679 157 HD2 HIS 21 HD2 HIS 21 -5.395 -3.735 -2.898 158 HE1 HIS 21 HE1 HIS 21 -5.908 -6.269 -6.181 159 H ASN 22 HN ASN 22 -9.055 -4.455 -0.321 160 HA ASN 22 HA ASN 22 -11.133 -2.984 0.772 161 1HB ASN 22 HB2 ASN 22 -12.769 -4.784 1.493 162 2HB ASN 22 HB3 ASN 22 -12.836 -4.375 -0.235 163 1HD2 ASN 22 HD22 ASN 22 -13.246 -8.018 -0.091 164 2HD2 ASN 22 HD21 ASN 22 -14.092 -6.591 0.409 165 H THR 23 HN THR 23 -8.729 -2.873 1.587 166 HA THR 23 HA THR 23 -8.497 -4.458 4.006 167 HB THR 23 HB THR 23 -7.331 -6.018 2.826 168 HG1 THR 23 HG1 THR 23 -5.303 -4.113 3.301 169 1HG2 THR 23 HG21 THR 23 -6.192 -3.847 0.977 170 2HG2 THR 23 HG22 THR 23 -5.750 -5.595 0.968 171 3HG2 THR 23 HG23 THR 23 -7.428 -5.110 0.577 172 H SER 24 HN SER 24 -6.916 -3.554 5.456 173 HA SER 24 HA SER 24 -6.312 -0.709 5.042 174 1HB SER 24 HB2 SER 24 -7.382 -2.057 7.608 175 2HB SER 24 HB3 SER 24 -6.781 -0.355 7.491 176 HG SER 24 HG SER 24 -8.411 0.000 5.953 177 H ARG 25 HN ARG 25 -5.222 -3.913 5.467 178 HA ARG 25 HA ARG 25 -2.896 -3.237 7.062 179 1HB ARG 25 HB2 ARG 25 -2.336 -5.687 6.942 180 2HB ARG 25 HB3 ARG 25 -3.743 -5.210 7.924 181 1HG ARG 25 HG2 ARG 25 -4.142 -6.185 5.059 182 2HG ARG 25 HG3 ARG 25 -3.887 -7.335 6.402 183 1HD ARG 25 HD2 ARG 25 -5.851 -6.728 7.570 184 2HD ARG 25 HD3 ARG 25 -6.040 -5.174 6.660 185 HE ARG 25 HE ARG 25 -6.310 -6.798 4.561 186 1HH1 ARG 25 HH12 ARG 25 -7.784 -7.107 7.812 187 2HH1 ARG 25 HH11 ARG 25 -9.246 -7.820 7.216 188 1HH2 ARG 25 HH22 ARG 25 -8.237 -7.838 3.809 189 2HH2 ARG 25 HH21 ARG 25 -9.506 -8.240 4.917 190 H GLY 26 HN GLY 26 -1.205 -2.477 6.053 191 1HA GLY 26 HA1 GLY 26 -0.196 -3.397 3.567 192 2HA GLY 26 HA2 GLY 26 -1.102 -1.825 3.465 193 H LYS 27 HN LYS 27 1.701 -2.021 2.977 194 HA LYS 27 HA LYS 27 2.571 -0.014 4.851 195 1HB LYS 27 HB2 LYS 27 4.405 -2.430 4.236 196 2HB LYS 27 HB3 LYS 27 4.877 -0.937 5.107 197 1HG LYS 27 HG2 LYS 27 3.264 -1.484 6.925 198 2HG LYS 27 HG3 LYS 27 2.865 -3.028 6.084 199 1HD LYS 27 HD2 LYS 27 5.214 -3.795 6.302 200 2HD LYS 27 HD3 LYS 27 5.674 -2.226 7.050 201 1HE LYS 27 HE2 LYS 27 5.393 -3.986 8.800 202 2HE LYS 27 HE3 LYS 27 4.154 -2.679 8.997 203 1HZ LYS 27 HZ2 LYS 27 2.574 -4.092 7.860 204 2HZ LYS 27 HZ3 LYS 27 3.732 -5.324 7.702 205 3HZ LYS 27 HZ1 LYS 27 3.204 -4.847 9.244 206 H CYS 28 HN CYS 28 5.232 -0.160 3.455 207 HA CYS 28 HA CYS 28 4.792 -0.302 0.674 208 1HB CYS 28 HB2 CYS 28 4.709 1.993 0.023 209 2HB CYS 28 HB3 CYS 28 3.950 2.144 1.587 210 H MET 29 HN MET 29 7.040 0.517 -0.377 211 HA MET 29 HA MET 29 9.034 -0.991 1.167 212 1HB MET 29 HB2 MET 29 8.043 -1.827 -1.079 213 2HB MET 29 HB3 MET 29 9.058 -0.587 -1.858 214 1HG MET 29 HG2 MET 29 11.079 -1.661 -0.688 215 2HG MET 29 HG3 MET 29 9.964 -2.842 0.062 216 1HE MET 29 HE2 MET 29 12.532 -3.640 -1.378 217 2HE MET 29 HE3 MET 29 11.342 -4.779 -0.659 218 3HE MET 29 HE1 MET 29 11.977 -5.071 -2.314 219 H ASN 30 HN ASN 30 10.774 0.314 -1.177 220 HA ASN 30 HA ASN 30 11.627 2.601 0.339 221 1HB ASN 30 HB2 ASN 30 13.499 2.752 -1.338 222 2HB ASN 30 HB3 ASN 30 13.387 1.239 -0.402 223 1HD2 ASN 30 HD22 ASN 30 13.239 1.101 -4.488 224 2HD2 ASN 30 HD21 ASN 30 13.452 2.582 -3.615 225 H LYS 31 HN LYS 31 9.907 2.078 -2.722 226 HA LYS 31 HA LYS 31 9.502 4.986 -3.000 227 1HB LYS 31 HB2 LYS 31 10.529 3.023 -5.112 228 2HB LYS 31 HB3 LYS 31 9.913 4.651 -5.520 229 1HG LYS 31 HG2 LYS 31 11.675 5.776 -4.303 230 2HG LYS 31 HG3 LYS 31 12.305 4.221 -3.670 231 1HD LYS 31 HD2 LYS 31 13.736 4.900 -5.455 232 2HD LYS 31 HD3 LYS 31 12.813 3.442 -5.969 233 1HE LYS 31 HE2 LYS 31 11.301 4.886 -7.374 234 2HE LYS 31 HE3 LYS 31 12.176 6.365 -6.802 235 1HZ LYS 31 HZ1 LYS 31 13.370 4.102 -8.317 236 2HZ LYS 31 HZ2 LYS 31 12.929 5.616 -8.948 237 3HZ LYS 31 HZ3 LYS 31 14.176 5.503 -7.798 238 H LYS 32 HN LYS 32 7.748 1.916 -2.784 239 HA LYS 32 HA LYS 32 5.664 3.084 -4.466 240 1HB LYS 32 HB2 LYS 32 5.287 1.238 -5.747 241 2HB LYS 32 HB3 LYS 32 7.034 1.556 -5.926 242 1HG LYS 32 HG2 LYS 32 7.547 -0.339 -4.350 243 2HG LYS 32 HG3 LYS 32 5.781 -0.635 -4.140 244 1HD LYS 32 HD2 LYS 32 5.590 -0.806 -6.663 245 2HD LYS 32 HD3 LYS 32 7.386 -0.955 -6.700 246 1HE LYS 32 HE2 LYS 32 7.225 -3.021 -5.239 247 2HE LYS 32 HE3 LYS 32 5.434 -2.787 -5.109 248 1HZ LYS 32 HZ2 LYS 32 5.271 -3.088 -7.483 249 2HZ LYS 32 HZ3 LYS 32 6.948 -3.337 -7.606 250 3HZ LYS 32 HZ1 LYS 32 5.987 -4.431 -6.731 251 1HN ABA 33 HN ABA 33 3.585 2.081 -4.084 252 HA ABA 33 HA ABA 33 3.150 1.451 -1.312 253 1HB ABA 33 HB3 ABA 33 1.231 1.791 -3.673 254 2HB ABA 33 HB2 ABA 33 1.773 3.062 -2.523 255 1HG ABA 33 HG1 ABA 33 -0.408 2.321 -1.806 256 2HG ABA 33 HG2 ABA 33 0.097 0.591 -1.740 257 3HG ABA 33 HG3 ABA 33 0.839 1.786 -0.614 258 H ARG 34 HN ARG 34 2.309 -0.547 -0.556 259 HA ARG 34 HA ARG 34 1.948 -2.780 -2.377 260 1HB ARG 34 HB2 ARG 34 3.910 -2.937 0.001 261 2HB ARG 34 HB3 ARG 34 3.256 -4.338 -0.921 262 1HG ARG 34 HG2 ARG 34 4.241 -2.965 -3.010 263 2HG ARG 34 HG3 ARG 34 5.345 -2.312 -1.754 264 1HD ARG 34 HD2 ARG 34 4.805 -5.288 -2.444 265 2HD ARG 34 HD3 ARG 34 6.259 -4.337 -2.971 266 HE ARG 34 HE ARG 34 6.612 -4.013 -0.369 267 1HH1 ARG 34 HH22 ARG 34 5.443 -7.009 -1.944 268 2HH1 ARG 34 HH21 ARG 34 6.294 -8.059 -0.860 269 1HH2 ARG 34 HH12 ARG 34 7.751 -5.456 1.053 270 2HH2 ARG 34 HH11 ARG 34 7.615 -7.174 0.851 271 H CYS 35 HN CYS 35 1.146 -4.702 -0.757 272 HA CYS 35 HA CYS 35 -0.549 -3.664 1.277 273 1HB CYS 35 HB2 CYS 35 -1.739 -3.436 -1.110 274 2HB CYS 35 HB3 CYS 35 -2.023 -5.186 -0.936 275 H TYR 36 HN TYR 36 -1.148 -5.256 2.631 276 HA TYR 36 HA TYR 36 0.565 -7.682 2.538 277 1HB TYR 36 HB2 TYR 36 0.356 -5.333 4.469 278 2HB TYR 36 HB3 TYR 36 0.929 -6.926 5.121 279 HD1 TYR 36 HD1 TYR 36 1.568 -4.222 2.691 280 HD2 TYR 36 HD2 TYR 36 3.183 -7.628 4.708 281 HE1 TYR 36 HE1 TYR 36 3.823 -3.424 2.167 282 HE2 TYR 36 HE2 TYR 36 5.480 -6.868 4.165 283 HH TYR 36 HH TYR 36 6.044 -3.773 2.402 284 H SER 37 HN SER 37 -2.078 -7.504 1.854 285 HA SER 37 HA SER 37 -3.785 -8.299 4.046 286 1HB SER 37 HB2 SER 37 -4.598 -7.031 2.020 287 2HB SER 37 HB3 SER 37 -4.327 -8.505 1.029 288 HG SER 37 HG SER 37 -6.001 -8.236 3.317 No H/Q in entry = 288 Start of MODEL 23 1 HA PCA 1 HA PGL 1 -4.220 -7.283 -6.829 2 1HB PCA 1 HB2 PGL 1 -4.249 -8.722 -4.348 3 2HB PCA 1 HB3 PGL 1 -5.261 -9.054 -5.785 4 1HG PCA 1 HG2 PGL 1 -2.723 -10.498 -4.929 5 2HG PCA 1 HG3 PGL 1 -4.213 -11.147 -5.754 6 HN PCA 1 HN PGL 1 -2.428 -8.278 -8.113 7 H PHE 2 HN PHE 2 -1.609 -6.513 -7.333 8 HA PHE 2 HA PHE 2 -0.470 -5.547 -4.791 9 1HB PHE 2 HB2 PHE 2 0.932 -6.100 -7.500 10 2HB PHE 2 HB3 PHE 2 1.728 -5.579 -5.963 11 HD1 PHE 2 HD2 PHE 2 1.111 -7.168 -3.862 12 HD2 PHE 2 HD1 PHE 2 1.014 -8.363 -7.994 13 HE1 PHE 2 HE2 PHE 2 1.325 -9.537 -3.188 14 HE2 PHE 2 HE1 PHE 2 1.237 -10.729 -7.313 15 HZ PHE 2 HZ PHE 2 1.387 -11.322 -4.909 16 H THR 3 HN THR 3 0.637 -3.399 -5.034 17 HA THR 3 HA THR 3 -0.696 -1.620 -6.964 18 HB THR 3 HB THR 3 -0.091 0.153 -5.168 19 HG1 THR 3 HG1 THR 3 0.489 -0.500 -3.332 20 1HG2 THR 3 HG23 THR 3 -2.382 -0.578 -5.739 21 2HG2 THR 3 HG21 THR 3 -2.262 -1.971 -4.593 22 3HG2 THR 3 HG22 THR 3 -2.207 -0.280 -3.969 23 H ASN 4 HN ASN 4 0.593 0.016 -7.895 24 HA ASN 4 HA ASN 4 3.485 -0.160 -7.662 25 1HB ASN 4 HB2 ASN 4 3.658 -0.153 -10.225 26 2HB ASN 4 HB3 ASN 4 3.236 -1.708 -9.464 27 1HD2 ASN 4 HD22 ASN 4 0.054 -2.068 -10.998 28 2HD2 ASN 4 HD21 ASN 4 1.152 -2.642 -9.786 29 H VAL 5 HN VAL 5 2.165 1.633 -6.356 30 HA VAL 5 HA VAL 5 1.964 4.114 -7.908 31 HB VAL 5 HB VAL 5 1.392 3.771 -4.925 32 1HG1 VAL 5 HG12 VAL 5 0.312 5.650 -7.157 33 2HG1 VAL 5 HG13 VAL 5 -0.310 5.582 -5.468 34 3HG1 VAL 5 HG11 VAL 5 1.357 6.149 -5.774 35 1HG2 VAL 5 HG21 VAL 5 -0.438 3.058 -7.299 36 2HG2 VAL 5 HG22 VAL 5 0.115 1.987 -5.947 37 3HG2 VAL 5 HG23 VAL 5 -0.998 3.350 -5.612 38 H SER 6 HN SER 6 2.920 5.933 -6.022 39 HA SER 6 HA SER 6 5.645 5.059 -5.292 40 1HB SER 6 HB2 SER 6 6.399 7.477 -5.611 41 2HB SER 6 HB3 SER 6 6.126 6.490 -7.072 42 HG SER 6 HG SER 6 4.063 7.461 -7.243 43 H CYS 7 HN CYS 7 6.106 5.247 -3.251 44 HA CYS 7 HA CYS 7 4.105 6.593 -1.490 45 1HB CYS 7 HB2 CYS 7 4.325 5.005 0.141 46 2HB CYS 7 HB3 CYS 7 4.428 4.067 -1.325 47 H THR 8 HN THR 8 5.073 7.263 0.697 48 HA THR 8 HA THR 8 7.887 8.032 0.619 49 HB THR 8 HB THR 8 7.377 10.059 2.055 50 HG1 THR 8 HG1 THR 8 5.167 9.558 2.393 51 1HG2 THR 8 HG23 THR 8 8.155 10.177 -0.322 52 2HG2 THR 8 HG21 THR 8 6.443 10.150 -0.888 53 3HG2 THR 8 HG22 THR 8 7.044 11.528 0.105 54 H THR 9 HN THR 9 4.882 7.676 2.620 55 HA THR 9 HA THR 9 6.438 6.150 4.614 56 HB THR 9 HB THR 9 4.783 7.050 6.326 57 HG1 THR 9 HG1 THR 9 4.353 8.935 4.243 58 1HG2 THR 9 HG23 THR 9 7.162 7.812 6.124 59 2HG2 THR 9 HG21 THR 9 6.651 9.094 4.960 60 3HG2 THR 9 HG22 THR 9 6.053 9.127 6.661 61 H SER 10 HN SER 10 5.362 4.462 5.627 62 HA SER 10 HA SER 10 3.198 3.186 4.168 63 1HB SER 10 HB2 SER 10 3.764 1.191 5.634 64 2HB SER 10 HB3 SER 10 5.063 1.751 4.532 65 HG SER 10 HG SER 10 5.809 1.290 6.593 66 H LYS 11 HN LYS 11 1.716 4.928 4.847 67 HA LYS 11 HA LYS 11 0.063 4.211 6.972 68 1HB LYS 11 HB2 LYS 11 1.829 5.395 8.385 69 2HB LYS 11 HB3 LYS 11 1.629 6.856 7.379 70 1HG LYS 11 HG2 LYS 11 0.435 7.132 9.476 71 2HG LYS 11 HG3 LYS 11 -0.782 7.001 8.168 72 1HD LYS 11 HD2 LYS 11 -1.070 4.518 8.803 73 2HD LYS 11 HD3 LYS 11 0.078 4.799 10.156 74 1HE LYS 11 HE2 LYS 11 -2.236 4.875 11.004 75 2HE LYS 11 HE3 LYS 11 -1.551 6.549 11.089 76 1HZ LYS 11 HZ1 LYS 11 -2.679 7.030 9.007 77 2HZ LYS 11 HZ2 LYS 11 -3.326 5.461 8.964 78 3HZ LYS 11 HZ3 LYS 11 -3.770 6.527 10.209 79 H GLU 12 HN GLU 12 1.344 6.759 4.774 80 HA GLU 12 HA GLU 12 -0.799 8.199 4.111 81 1HB GLU 12 HB2 GLU 12 1.733 8.425 3.790 82 2HB GLU 12 HB3 GLU 12 1.622 7.349 2.381 83 1HG GLU 12 HG2 GLU 12 -0.023 9.067 1.349 84 2HG GLU 12 HG3 GLU 12 0.283 10.085 2.815 85 1HN ABA 13 HN ABA 13 0.368 5.175 2.693 86 HA ABA 13 HA ABA 13 -1.516 5.226 0.445 87 1HB ABA 13 HB3 ABA 13 0.828 5.227 -0.131 88 2HB ABA 13 HB2 ABA 13 0.101 3.677 -0.595 89 1HG ABA 13 HG1 ABA 13 1.888 4.228 1.886 90 2HG ABA 13 HG2 ABA 13 1.151 2.625 1.495 91 3HG ABA 13 HG3 ABA 13 2.347 3.360 0.369 92 H TRP 14 HN TRP 14 -2.215 4.413 3.267 93 HA TRP 14 HA TRP 14 -3.006 1.642 2.995 94 1HB TRP 14 HB2 TRP 14 -3.407 3.726 5.207 95 2HB TRP 14 HB3 TRP 14 -4.135 2.082 5.275 96 HD1 TRP 14 HD1 TRP 14 -0.423 2.440 4.040 97 HE1 TRP 14 HE1 TRP 14 0.919 0.973 5.563 98 HE3 TRP 14 HE3 TRP 14 -4.002 1.518 7.581 99 HZ2 TRP 14 HZ2 TRP 14 0.633 -0.287 8.120 100 HZ3 TRP 14 HZ3 TRP 14 -3.405 0.125 9.532 101 HH2 TRP 14 HH2 TRP 14 -1.128 -0.807 9.769 102 H SER 15 HN SER 15 -4.424 4.849 2.314 103 HA SER 15 HA SER 15 -7.112 3.845 2.055 104 1HB SER 15 HB2 SER 15 -7.627 6.258 1.489 105 2HB SER 15 HB3 SER 15 -6.934 5.983 3.119 106 HG SER 15 HG SER 15 -5.992 7.726 2.078 107 H VAL 16 HN VAL 16 -4.396 3.400 0.325 108 HA VAL 16 HA VAL 16 -5.612 3.624 -2.340 109 HB VAL 16 HB VAL 16 -2.798 2.772 -1.465 110 1HG1 VAL 16 HG13 VAL 16 -4.045 3.226 -4.267 111 2HG1 VAL 16 HG11 VAL 16 -2.282 3.044 -3.930 112 3HG1 VAL 16 HG12 VAL 16 -3.387 1.669 -3.627 113 1HG2 VAL 16 HG22 VAL 16 -3.886 5.381 -2.716 114 2HG2 VAL 16 HG23 VAL 16 -3.234 5.198 -1.044 115 3HG2 VAL 16 HG21 VAL 16 -2.147 4.985 -2.458 116 H CYS 17 HN CYS 17 -4.440 1.141 0.057 117 HA CYS 17 HA CYS 17 -5.435 -0.997 -1.649 118 1HB CYS 17 HB2 CYS 17 -3.925 -0.807 0.989 119 2HB CYS 17 HB3 CYS 17 -4.731 -2.353 0.605 120 H GLN 18 HN GLN 18 -7.052 1.099 0.549 121 HA GLN 18 HA GLN 18 -8.948 -0.827 1.511 122 1HB GLN 18 HB2 GLN 18 -7.960 1.034 2.869 123 2HB GLN 18 HB3 GLN 18 -8.779 2.227 1.814 124 1HG GLN 18 HG2 GLN 18 -11.000 1.307 2.525 125 2HG GLN 18 HG3 GLN 18 -10.156 -0.015 3.427 126 1HE2 GLN 18 HE22 GLN 18 -9.949 3.937 4.868 127 2HE2 GLN 18 HE21 GLN 18 -10.109 3.636 3.169 128 H ARG 19 HN ARG 19 -8.688 1.809 -0.892 129 HA ARG 19 HA ARG 19 -11.451 1.700 -1.705 130 1HB ARG 19 HB2 ARG 19 -9.040 3.346 -2.592 131 2HB ARG 19 HB3 ARG 19 -10.682 3.523 -3.300 132 1HG ARG 19 HG2 ARG 19 -10.886 3.605 -0.367 133 2HG ARG 19 HG3 ARG 19 -9.628 4.746 -0.930 134 1HD ARG 19 HD2 ARG 19 -11.808 5.892 -0.834 135 2HD ARG 19 HD3 ARG 19 -11.231 5.745 -2.559 136 HE ARG 19 HE ARG 19 -12.973 3.512 -1.660 137 1HH1 ARG 19 HH22 ARG 19 -12.997 6.819 -3.022 138 2HH1 ARG 19 HH21 ARG 19 -14.556 6.642 -3.759 139 1HH2 ARG 19 HH12 ARG 19 -15.067 3.303 -2.664 140 2HH2 ARG 19 HH11 ARG 19 -15.741 4.630 -3.553 141 H LEU 20 HN LEU 20 -8.554 -0.008 -2.533 142 HA LEU 20 HA LEU 20 -9.205 -0.598 -5.280 143 1HB LEU 20 HB2 LEU 20 -6.882 -0.651 -3.426 144 2HB LEU 20 HB3 LEU 20 -6.958 -2.153 -4.368 145 HG LEU 20 HG LEU 20 -6.997 -1.073 -6.407 146 1HD1 LEU 20 HD13 LEU 20 -8.142 1.112 -6.029 147 2HD1 LEU 20 HD11 LEU 20 -6.772 1.677 -5.004 148 3HD1 LEU 20 HD12 LEU 20 -6.529 1.392 -6.763 149 1HD2 LEU 20 HD21 LEU 20 -4.832 -1.651 -5.386 150 2HD2 LEU 20 HD22 LEU 20 -4.651 -0.203 -6.447 151 3HD2 LEU 20 HD23 LEU 20 -4.711 -0.006 -4.656 152 H HIS 21 HN HIS 21 -8.375 -2.474 -2.337 153 HA HIS 21 HA HIS 21 -9.859 -4.792 -3.301 154 1HB HIS 21 HB2 HIS 21 -7.634 -4.436 -1.205 155 2HB HIS 21 HB3 HIS 21 -8.389 -6.010 -1.662 156 HD1 HIS 21 HD1 HIS 21 -7.867 -6.822 -4.186 157 HD2 HIS 21 HD2 HIS 21 -5.681 -3.436 -3.001 158 HE1 HIS 21 HE1 HIS 21 -5.956 -6.473 -5.844 159 H ASN 22 HN ASN 22 -9.132 -4.737 0.004 160 HA ASN 22 HA ASN 22 -11.284 -3.435 1.166 161 1HB ASN 22 HB2 ASN 22 -12.721 -5.521 1.882 162 2HB ASN 22 HB3 ASN 22 -12.978 -4.807 0.279 163 1HD2 ASN 22 HD22 ASN 22 -11.280 -8.617 0.469 164 2HD2 ASN 22 HD21 ASN 22 -11.108 -7.553 1.825 165 H THR 23 HN THR 23 -8.830 -3.204 1.946 166 HA THR 23 HA THR 23 -8.712 -4.737 4.397 167 HB THR 23 HB THR 23 -7.445 -6.065 2.609 168 HG1 THR 23 HG1 THR 23 -7.227 -6.325 4.805 169 1HG2 THR 23 HG23 THR 23 -6.213 -4.161 1.492 170 2HG2 THR 23 HG21 THR 23 -5.317 -3.869 3.042 171 3HG2 THR 23 HG22 THR 23 -5.107 -5.418 2.180 172 H SER 24 HN SER 24 -6.685 -3.870 5.638 173 HA SER 24 HA SER 24 -6.172 -1.069 5.221 174 1HB SER 24 HB2 SER 24 -6.866 -0.340 7.521 175 2HB SER 24 HB3 SER 24 -8.246 -0.769 6.464 176 HG SER 24 HG SER 24 -7.121 -2.306 8.550 177 H ARG 25 HN ARG 25 -4.954 -3.829 5.194 178 HA ARG 25 HA ARG 25 -2.656 -3.202 6.928 179 1HB ARG 25 HB2 ARG 25 -3.416 -5.975 5.826 180 2HB ARG 25 HB3 ARG 25 -1.917 -5.545 6.710 181 1HG ARG 25 HG2 ARG 25 -3.156 -6.618 8.320 182 2HG ARG 25 HG3 ARG 25 -3.400 -4.884 8.706 183 1HD ARG 25 HD2 ARG 25 -5.535 -6.227 8.932 184 2HD ARG 25 HD3 ARG 25 -5.674 -4.976 7.644 185 HE ARG 25 HE ARG 25 -5.577 -6.624 5.939 186 1HH1 ARG 25 HH22 ARG 25 -5.173 -8.187 9.139 187 2HH1 ARG 25 HH21 ARG 25 -5.393 -9.794 8.525 188 1HH2 ARG 25 HH12 ARG 25 -5.919 -8.786 5.158 189 2HH2 ARG 25 HH11 ARG 25 -5.821 -10.134 6.238 190 H GLY 26 HN GLY 26 -0.999 -2.554 5.785 191 1HA GLY 26 HA1 GLY 26 -0.407 -3.298 3.112 192 2HA GLY 26 HA2 GLY 26 -1.178 -1.647 3.265 193 H LYS 27 HN LYS 27 1.549 -2.102 2.457 194 HA LYS 27 HA LYS 27 2.829 -0.486 4.498 195 1HB LYS 27 HB2 LYS 27 3.362 -3.266 4.387 196 2HB LYS 27 HB3 LYS 27 4.757 -2.554 3.524 197 1HG LYS 27 HG2 LYS 27 5.147 -1.082 5.472 198 2HG LYS 27 HG3 LYS 27 3.714 -1.816 6.309 199 1HD LYS 27 HD2 LYS 27 6.078 -3.557 5.400 200 2HD LYS 27 HD3 LYS 27 6.167 -2.576 6.899 201 1HE LYS 27 HE2 LYS 27 5.509 -4.803 7.560 202 2HE LYS 27 HE3 LYS 27 4.097 -3.701 7.800 203 1HZ LYS 27 HZ1 LYS 27 3.203 -4.529 5.710 204 2HZ LYS 27 HZ2 LYS 27 4.520 -5.587 5.541 205 3HZ LYS 27 HZ3 LYS 27 3.446 -5.771 6.843 206 H CYS 28 HN CYS 28 5.233 -0.228 3.319 207 HA CYS 28 HA CYS 28 5.104 -0.147 0.492 208 1HB CYS 28 HB2 CYS 28 4.578 2.180 0.167 209 2HB CYS 28 HB3 CYS 28 4.035 2.142 1.830 210 H MET 29 HN MET 29 7.318 0.320 -0.309 211 HA MET 29 HA MET 29 9.204 -0.768 1.649 212 1HB MET 29 HB2 MET 29 8.502 -1.960 -0.529 213 2HB MET 29 HB3 MET 29 9.618 -0.835 -1.350 214 1HG MET 29 HG2 MET 29 11.344 -1.653 0.530 215 2HG MET 29 HG3 MET 29 10.088 -2.879 0.911 216 1HE MET 29 HE3 MET 29 12.670 -1.464 -1.711 217 2HE MET 29 HE1 MET 29 12.541 -2.600 -3.098 218 3HE MET 29 HE2 MET 29 11.194 -1.471 -2.743 219 H ASN 30 HN ASN 30 11.051 0.396 -0.835 220 HA ASN 30 HA ASN 30 11.827 2.730 0.666 221 1HB ASN 30 HB2 ASN 30 13.750 2.938 -0.810 222 2HB ASN 30 HB3 ASN 30 13.591 1.320 -0.065 223 1HD2 ASN 30 HD22 ASN 30 14.751 0.678 -3.479 224 2HD2 ASN 30 HD21 ASN 30 15.327 1.401 -2.014 225 H LYS 31 HN LYS 31 10.182 2.139 -2.386 226 HA LYS 31 HA LYS 31 9.919 5.039 -2.884 227 1HB LYS 31 HB2 LYS 31 10.730 2.816 -4.829 228 2HB LYS 31 HB3 LYS 31 10.289 4.478 -5.343 229 1HG LYS 31 HG2 LYS 31 12.119 5.448 -4.035 230 2HG LYS 31 HG3 LYS 31 12.642 3.808 -3.506 231 1HD LYS 31 HD2 LYS 31 13.004 3.135 -5.877 232 2HD LYS 31 HD3 LYS 31 12.542 4.793 -6.416 233 1HE LYS 31 HE2 LYS 31 14.482 5.753 -5.106 234 2HE LYS 31 HE3 LYS 31 14.947 4.081 -4.586 235 1HZ LYS 31 HZ2 LYS 31 14.825 5.067 -7.391 236 2HZ LYS 31 HZ3 LYS 31 16.226 4.862 -6.451 237 3HZ LYS 31 HZ1 LYS 31 15.291 3.512 -6.886 238 H LYS 32 HN LYS 32 8.138 1.881 -2.855 239 HA LYS 32 HA LYS 32 5.998 3.178 -4.391 240 1HB LYS 32 HB2 LYS 32 5.577 1.326 -5.671 241 2HB LYS 32 HB3 LYS 32 7.300 1.723 -5.915 242 1HG LYS 32 HG2 LYS 32 7.991 -0.166 -4.460 243 2HG LYS 32 HG3 LYS 32 6.272 -0.532 -4.068 244 1HD LYS 32 HD2 LYS 32 5.792 -0.803 -6.515 245 2HD LYS 32 HD3 LYS 32 7.569 -0.782 -6.815 246 1HE LYS 32 HE2 LYS 32 7.829 -2.808 -5.314 247 2HE LYS 32 HE3 LYS 32 6.053 -2.769 -4.960 248 1HZ LYS 32 HZ2 LYS 32 5.653 -3.106 -7.320 249 2HZ LYS 32 HZ3 LYS 32 7.324 -3.222 -7.608 250 3HZ LYS 32 HZ1 LYS 32 6.549 -4.371 -6.625 251 1HN ABA 33 HN ABA 33 3.923 1.908 -4.156 252 HA ABA 33 HA ABA 33 3.414 1.331 -1.367 253 1HB ABA 33 HB3 ABA 33 1.561 1.580 -3.792 254 2HB ABA 33 HB2 ABA 33 2.034 2.891 -2.658 255 1HG ABA 33 HG1 ABA 33 -0.146 2.105 -1.989 256 2HG ABA 33 HG2 ABA 33 0.416 0.396 -1.852 257 3HG ABA 33 HG3 ABA 33 1.091 1.657 -0.746 258 H ARG 34 HN ARG 34 2.573 -0.726 -0.672 259 HA ARG 34 HA ARG 34 2.320 -2.873 -2.638 260 1HB ARG 34 HB2 ARG 34 4.619 -2.944 -1.333 261 2HB ARG 34 HB3 ARG 34 3.633 -3.504 0.045 262 1HG ARG 34 HG2 ARG 34 2.708 -5.322 -1.619 263 2HG ARG 34 HG3 ARG 34 3.980 -4.793 -2.752 264 1HD ARG 34 HD2 ARG 34 4.513 -5.780 0.148 265 2HD ARG 34 HD3 ARG 34 4.431 -6.872 -1.280 266 HE ARG 34 HE ARG 34 6.431 -6.023 -2.156 267 1HH1 ARG 34 HH22 ARG 34 5.649 -4.229 0.851 268 2HH1 ARG 34 HH21 ARG 34 7.278 -3.690 1.084 269 1HH2 ARG 34 HH12 ARG 34 8.572 -5.311 -1.801 270 2HH2 ARG 34 HH11 ARG 34 8.957 -4.309 -0.441 271 H CYS 35 HN CYS 35 1.297 -4.805 -1.102 272 HA CYS 35 HA CYS 35 -0.907 -3.737 0.430 273 1HB CYS 35 HB2 CYS 35 -1.203 -3.969 -2.309 274 2HB CYS 35 HB3 CYS 35 -1.637 -5.628 -1.881 275 H TYR 36 HN TYR 36 -1.730 -5.336 1.700 276 HA TYR 36 HA TYR 36 -0.315 -7.911 1.894 277 1HB TYR 36 HB2 TYR 36 -0.101 -5.549 3.852 278 2HB TYR 36 HB3 TYR 36 0.074 -7.245 4.468 279 HD1 TYR 36 HD1 TYR 36 1.693 -8.759 2.965 280 HD2 TYR 36 HD2 TYR 36 1.907 -4.493 3.345 281 HE1 TYR 36 HE1 TYR 36 4.129 -8.840 2.528 282 HE2 TYR 36 HE2 TYR 36 4.343 -4.558 2.915 283 HH TYR 36 HH TYR 36 6.043 -7.681 2.372 284 H SER 37 HN SER 37 -2.585 -8.131 1.014 285 HA SER 37 HA SER 37 -4.703 -7.978 3.006 286 1HB SER 37 HB2 SER 37 -6.187 -8.754 1.151 287 2HB SER 37 HB3 SER 37 -5.301 -7.235 0.768 288 HG SER 37 HG SER 37 -5.263 -8.700 -0.929 No H/Q in entry = 288 Start of MODEL 24 1 HA PCA 1 HA PGL 1 -3.078 -7.668 -4.706 2 1HB PCA 1 HB2 PGL 1 -3.411 -6.580 -2.079 3 2HB PCA 1 HB3 PGL 1 -4.534 -7.683 -2.929 4 1HG PCA 1 HG2 PGL 1 -2.493 -8.411 -0.799 5 2HG PCA 1 HG3 PGL 1 -4.136 -9.125 -1.136 6 HN PCA 1 HN PGL 1 -1.678 -9.614 -4.409 7 H PHE 2 HN PHE 2 -1.822 -6.085 -5.616 8 HA PHE 2 HA PHE 2 0.325 -4.798 -4.135 9 1HB PHE 2 HB2 PHE 2 0.571 -6.141 -6.939 10 2HB PHE 2 HB3 PHE 2 1.772 -4.988 -6.248 11 HD1 PHE 2 HD2 PHE 2 2.752 -5.591 -3.917 12 HD2 PHE 2 HD1 PHE 2 0.828 -8.438 -6.494 13 HE1 PHE 2 HE2 PHE 2 3.854 -7.446 -2.695 14 HE2 PHE 2 HE1 PHE 2 1.933 -10.287 -5.279 15 HZ PHE 2 HZ PHE 2 3.445 -9.794 -3.373 16 H THR 3 HN THR 3 0.720 -2.675 -5.023 17 HA THR 3 HA THR 3 -1.126 -1.779 -7.133 18 HB THR 3 HB THR 3 -1.566 0.289 -6.195 19 HG1 THR 3 HG1 THR 3 -0.086 -0.160 -3.848 20 1HG2 THR 3 HG21 THR 3 -2.902 -1.631 -5.203 21 2HG2 THR 3 HG22 THR 3 -1.750 -1.687 -3.814 22 3HG2 THR 3 HG23 THR 3 -2.753 -0.230 -4.079 23 H ASN 4 HN ASN 4 -0.104 0.471 -7.989 24 HA ASN 4 HA ASN 4 2.807 0.410 -8.033 25 1HB ASN 4 HB2 ASN 4 2.749 0.793 -10.571 26 2HB ASN 4 HB3 ASN 4 2.454 -0.873 -10.012 27 1HD2 ASN 4 HD22 ASN 4 -0.783 -1.193 -11.397 28 2HD2 ASN 4 HD21 ASN 4 0.486 -1.898 -10.451 29 H VAL 5 HN VAL 5 1.326 1.874 -6.413 30 HA VAL 5 HA VAL 5 1.255 4.629 -7.447 31 HB VAL 5 HB VAL 5 0.117 3.157 -5.007 32 1HG1 VAL 5 HG11 VAL 5 0.225 6.210 -5.463 33 2HG1 VAL 5 HG12 VAL 5 -0.883 5.378 -4.304 34 3HG1 VAL 5 HG13 VAL 5 0.892 5.266 -4.064 35 1HG2 VAL 5 HG21 VAL 5 -1.159 4.730 -7.336 36 2HG2 VAL 5 HG22 VAL 5 -1.181 2.939 -7.104 37 3HG2 VAL 5 HG23 VAL 5 -2.053 4.004 -5.950 38 H SER 6 HN SER 6 2.545 6.211 -5.981 39 HA SER 6 HA SER 6 5.051 4.967 -5.127 40 1HB SER 6 HB2 SER 6 5.959 7.326 -5.123 41 2HB SER 6 HB3 SER 6 5.450 6.654 -6.698 42 HG SER 6 HG SER 6 3.496 7.769 -6.482 43 H CYS 7 HN CYS 7 5.912 5.098 -3.083 44 HA CYS 7 HA CYS 7 4.388 6.480 -0.944 45 1HB CYS 7 HB2 CYS 7 3.228 4.520 -0.907 46 2HB CYS 7 HB3 CYS 7 4.627 3.487 -1.120 47 H THR 8 HN THR 8 5.601 6.878 0.860 48 HA THR 8 HA THR 8 8.436 6.141 0.943 49 HB THR 8 HB THR 8 8.964 8.448 1.909 50 HG1 THR 8 HG1 THR 8 7.642 10.093 1.136 51 1HG2 THR 8 HG22 THR 8 9.724 7.626 -0.334 52 2HG2 THR 8 HG23 THR 8 8.217 8.272 -1.085 53 3HG2 THR 8 HG21 THR 8 9.399 9.397 -0.321 54 H THR 9 HN THR 9 5.548 7.502 2.627 55 HA THR 9 HA THR 9 6.448 6.365 5.180 56 HB THR 9 HB THR 9 4.596 7.864 6.129 57 HG1 THR 9 HG1 THR 9 3.596 8.279 4.106 58 1HG2 THR 9 HG22 THR 9 7.046 8.328 6.284 59 2HG2 THR 9 HG23 THR 9 6.999 9.160 4.682 60 3HG2 THR 9 HG21 THR 9 6.080 9.837 6.080 61 H SER 10 HN SER 10 5.424 4.700 6.095 62 HA SER 10 HA SER 10 3.228 3.382 4.740 63 1HB SER 10 HB2 SER 10 3.731 1.514 6.392 64 2HB SER 10 HB3 SER 10 5.054 1.952 5.262 65 HG SER 10 HG SER 10 4.820 2.841 7.937 66 H LYS 11 HN LYS 11 1.721 5.076 5.184 67 HA LYS 11 HA LYS 11 0.077 4.859 7.424 68 1HB LYS 11 HB2 LYS 11 1.925 6.077 8.591 69 2HB LYS 11 HB3 LYS 11 1.919 7.354 7.352 70 1HG LYS 11 HG2 LYS 11 -0.675 6.723 8.833 71 2HG LYS 11 HG3 LYS 11 0.655 7.452 9.788 72 1HD LYS 11 HD2 LYS 11 -0.537 8.738 7.256 73 2HD LYS 11 HD3 LYS 11 -1.007 9.119 8.947 74 1HE LYS 11 HE2 LYS 11 1.332 9.873 9.456 75 2HE LYS 11 HE3 LYS 11 1.823 9.523 7.748 76 1HZ LYS 11 HZ1 LYS 11 -0.275 11.445 8.602 77 2HZ LYS 11 HZ2 LYS 11 1.301 11.825 8.094 78 3HZ LYS 11 HZ3 LYS 11 0.204 11.122 7.006 79 H GLU 12 HN GLU 12 1.482 6.881 4.791 80 HA GLU 12 HA GLU 12 -0.650 8.358 4.044 81 1HB GLU 12 HB2 GLU 12 1.958 8.293 3.565 82 2HB GLU 12 HB3 GLU 12 1.535 7.457 2.073 83 1HG GLU 12 HG2 GLU 12 0.429 10.200 3.014 84 2HG GLU 12 HG3 GLU 12 1.865 9.988 1.949 85 1HN ABA 13 HN ABA 13 0.308 5.121 2.823 86 HA ABA 13 HA ABA 13 -1.696 5.199 0.678 87 1HB ABA 13 HB3 ABA 13 0.611 5.014 -0.018 88 2HB ABA 13 HB2 ABA 13 -0.306 3.551 -0.425 89 1HG ABA 13 HG1 ABA 13 0.783 2.345 1.510 90 2HG ABA 13 HG2 ABA 13 1.960 3.077 0.357 91 3HG ABA 13 HG3 ABA 13 1.650 3.887 1.941 92 H TRP 14 HN TRP 14 -2.518 4.639 3.431 93 HA TRP 14 HA TRP 14 -3.263 1.847 3.492 94 1HB TRP 14 HB2 TRP 14 -3.716 4.234 5.370 95 2HB TRP 14 HB3 TRP 14 -4.514 2.645 5.655 96 HD1 TRP 14 HD1 TRP 14 -0.698 3.299 4.762 97 HE1 TRP 14 HE1 TRP 14 0.604 1.666 6.177 98 HE3 TRP 14 HE3 TRP 14 -4.525 1.626 7.715 99 HZ2 TRP 14 HZ2 TRP 14 0.116 -0.139 8.341 100 HZ3 TRP 14 HZ3 TRP 14 -4.057 -0.149 9.367 101 HH2 TRP 14 HH2 TRP 14 -1.776 -1.076 9.608 102 H SER 15 HN SER 15 -4.761 4.930 2.458 103 HA SER 15 HA SER 15 -7.339 3.722 2.008 104 1HB SER 15 HB2 SER 15 -7.978 6.034 1.251 105 2HB SER 15 HB3 SER 15 -7.398 5.932 2.944 106 HG SER 15 HG SER 15 -5.851 6.736 0.716 107 H VAL 16 HN VAL 16 -4.516 3.216 0.564 108 HA VAL 16 HA VAL 16 -5.592 3.221 -2.187 109 HB VAL 16 HB VAL 16 -2.703 2.780 -1.248 110 1HG1 VAL 16 HG11 VAL 16 -3.954 3.204 -4.055 111 2HG1 VAL 16 HG12 VAL 16 -2.189 3.175 -3.689 112 3HG1 VAL 16 HG13 VAL 16 -3.168 1.695 -3.459 113 1HG2 VAL 16 HG23 VAL 16 -4.088 5.284 -2.418 114 2HG2 VAL 16 HG21 VAL 16 -3.418 5.117 -0.752 115 3HG2 VAL 16 HG22 VAL 16 -2.315 5.086 -2.168 116 H CYS 17 HN CYS 17 -4.409 1.014 0.466 117 HA CYS 17 HA CYS 17 -4.951 -1.323 -1.090 118 1HB CYS 17 HB2 CYS 17 -4.138 -0.690 1.745 119 2HB CYS 17 HB3 CYS 17 -4.840 -2.303 1.466 120 H GLN 18 HN GLN 18 -7.074 0.868 0.631 121 HA GLN 18 HA GLN 18 -9.100 -1.067 1.193 122 1HB GLN 18 HB2 GLN 18 -8.344 0.792 2.701 123 2HB GLN 18 HB3 GLN 18 -9.034 1.983 1.559 124 1HG GLN 18 HG2 GLN 18 -11.308 1.023 1.911 125 2HG GLN 18 HG3 GLN 18 -10.597 -0.332 2.871 126 1HE2 GLN 18 HE22 GLN 18 -11.542 3.170 4.735 127 2HE2 GLN 18 HE21 GLN 18 -12.047 2.761 3.130 128 H ARG 19 HN ARG 19 -8.396 1.517 -1.185 129 HA ARG 19 HA ARG 19 -11.040 1.445 -2.352 130 1HB ARG 19 HB2 ARG 19 -8.538 3.063 -3.068 131 2HB ARG 19 HB3 ARG 19 -10.159 3.289 -3.816 132 1HG ARG 19 HG2 ARG 19 -9.426 3.710 -0.861 133 2HG ARG 19 HG3 ARG 19 -9.667 4.991 -2.097 134 1HD ARG 19 HD2 ARG 19 -11.797 3.043 -0.994 135 2HD ARG 19 HD3 ARG 19 -11.607 4.793 -0.586 136 HE ARG 19 HE ARG 19 -12.234 3.718 -3.386 137 1HH1 ARG 19 HH22 ARG 19 -12.803 6.202 -0.868 138 2HH1 ARG 19 HH21 ARG 19 -13.909 7.109 -1.846 139 1HH2 ARG 19 HH12 ARG 19 -13.714 4.945 -4.655 140 2HH2 ARG 19 HH11 ARG 19 -14.432 6.387 -4.020 141 H LEU 20 HN LEU 20 -8.032 -0.207 -2.890 142 HA LEU 20 HA LEU 20 -8.520 -0.846 -5.689 143 1HB LEU 20 HB2 LEU 20 -6.291 -1.038 -3.692 144 2HB LEU 20 HB3 LEU 20 -6.338 -2.403 -4.844 145 HG LEU 20 HG LEU 20 -4.842 -0.616 -5.442 146 1HD1 LEU 20 HD11 LEU 20 -5.689 -2.249 -7.105 147 2HD1 LEU 20 HD12 LEU 20 -7.052 -1.148 -7.528 148 3HD1 LEU 20 HD13 LEU 20 -5.352 -0.658 -7.881 149 1HD2 LEU 20 HD21 LEU 20 -6.141 1.424 -4.799 150 2HD2 LEU 20 HD22 LEU 20 -5.572 1.499 -6.504 151 3HD2 LEU 20 HD23 LEU 20 -7.295 1.121 -6.147 152 H HIS 21 HN HIS 21 -7.866 -2.617 -2.624 153 HA HIS 21 HA HIS 21 -9.425 -4.913 -3.545 154 1HB HIS 21 HB2 HIS 21 -7.402 -4.630 -1.252 155 2HB HIS 21 HB3 HIS 21 -8.169 -6.159 -1.835 156 HD1 HIS 21 HD1 HIS 21 -7.484 -6.758 -4.459 157 HD2 HIS 21 HD2 HIS 21 -5.188 -3.759 -2.636 158 HE1 HIS 21 HE1 HIS 21 -5.389 -6.390 -5.874 159 H ASN 22 HN ASN 22 -8.968 -4.719 -0.216 160 HA ASN 22 HA ASN 22 -11.087 -3.260 0.746 161 1HB ASN 22 HB2 ASN 22 -12.802 -5.125 1.344 162 2HB ASN 22 HB3 ASN 22 -12.828 -4.465 -0.300 163 1HD2 ASN 22 HD22 ASN 22 -12.536 -7.582 -1.875 164 2HD2 ASN 22 HD21 ASN 22 -13.000 -5.914 -1.929 165 H THR 23 HN THR 23 -8.773 -3.221 1.786 166 HA THR 23 HA THR 23 -9.018 -4.731 4.244 167 HB THR 23 HB THR 23 -7.624 -6.089 2.524 168 HG1 THR 23 HG1 THR 23 -7.734 -6.482 4.703 169 1HG2 THR 23 HG23 THR 23 -6.184 -4.120 1.745 170 2HG2 THR 23 HG21 THR 23 -5.385 -4.155 3.374 171 3HG2 THR 23 HG22 THR 23 -5.270 -5.570 2.289 172 H SER 24 HN SER 24 -6.567 -3.795 5.360 173 HA SER 24 HA SER 24 -6.640 -0.893 4.972 174 1HB SER 24 HB2 SER 24 -6.684 -0.458 7.433 175 2HB SER 24 HB3 SER 24 -8.214 -1.135 6.787 176 HG SER 24 HG SER 24 -7.580 -2.095 8.717 177 H ARG 25 HN ARG 25 -4.857 -3.854 5.361 178 HA ARG 25 HA ARG 25 -2.576 -2.557 6.544 179 1HB ARG 25 HB2 ARG 25 -2.456 -5.467 5.775 180 2HB ARG 25 HB3 ARG 25 -1.576 -4.528 7.024 181 1HG ARG 25 HG2 ARG 25 -3.098 -5.813 8.278 182 2HG ARG 25 HG3 ARG 25 -3.979 -4.253 8.110 183 1HD ARG 25 HD2 ARG 25 -4.646 -5.588 5.764 184 2HD ARG 25 HD3 ARG 25 -4.537 -7.010 6.873 185 HE ARG 25 HE ARG 25 -6.557 -4.862 6.740 186 1HH1 ARG 25 HH12 ARG 25 -5.144 -7.342 8.907 187 2HH1 ARG 25 HH11 ARG 25 -6.539 -7.435 9.930 188 1HH2 ARG 25 HH22 ARG 25 -8.403 -4.975 8.172 189 2HH2 ARG 25 HH21 ARG 25 -8.409 -6.079 9.508 190 H GLY 26 HN GLY 26 -1.144 -1.598 5.285 191 1HA GLY 26 HA1 GLY 26 -0.172 -2.638 2.818 192 2HA GLY 26 HA2 GLY 26 -1.404 -1.320 2.593 193 H LYS 27 HN LYS 27 1.858 -2.098 3.206 194 HA LYS 27 HA LYS 27 2.545 0.610 4.140 195 1HB LYS 27 HB2 LYS 27 4.275 -1.937 4.255 196 2HB LYS 27 HB3 LYS 27 4.624 -0.331 4.980 197 1HG LYS 27 HG2 LYS 27 2.524 -0.631 6.407 198 2HG LYS 27 HG3 LYS 27 2.423 -2.319 5.770 199 1HD LYS 27 HD2 LYS 27 4.649 -2.839 6.720 200 2HD LYS 27 HD3 LYS 27 4.848 -1.131 7.259 201 1HE LYS 27 HE2 LYS 27 2.882 -1.371 8.807 202 2HE LYS 27 HE3 LYS 27 2.683 -3.096 8.288 203 1HZ LYS 27 HZ3 LYS 27 5.094 -1.928 9.585 204 2HZ LYS 27 HZ1 LYS 27 3.905 -2.875 10.340 205 3HZ LYS 27 HZ2 LYS 27 4.880 -3.549 9.125 206 H CYS 28 HN CYS 28 5.366 0.016 3.196 207 HA CYS 28 HA CYS 28 5.177 -0.520 0.397 208 1HB CYS 28 HB2 CYS 28 6.168 1.732 -0.349 209 2HB CYS 28 HB3 CYS 28 4.481 1.727 0.180 210 H MET 29 HN MET 29 7.413 -0.130 -0.615 211 HA MET 29 HA MET 29 9.421 -1.210 1.189 212 1HB MET 29 HB2 MET 29 8.705 -2.294 -1.054 213 2HB MET 29 HB3 MET 29 9.697 -1.044 -1.831 214 1HG MET 29 HG2 MET 29 11.327 -1.999 0.288 215 2HG MET 29 HG3 MET 29 10.397 -3.454 -0.146 216 1HE MET 29 HE1 MET 29 13.521 -1.840 -0.316 217 2HE MET 29 HE2 MET 29 13.347 -3.618 -0.126 218 3HE MET 29 HE3 MET 29 14.327 -2.945 -1.477 219 H ASN 30 HN ASN 30 11.013 0.216 -1.363 220 HA ASN 30 HA ASN 30 11.826 2.493 0.209 221 1HB ASN 30 HB2 ASN 30 13.513 2.881 -1.664 222 2HB ASN 30 HB3 ASN 30 13.649 1.419 -0.653 223 1HD2 ASN 30 HD22 ASN 30 14.148 -0.493 -3.540 224 2HD2 ASN 30 HD21 ASN 30 14.719 0.053 -1.999 225 H LYS 31 HN LYS 31 9.986 2.001 -2.773 226 HA LYS 31 HA LYS 31 9.545 4.919 -3.008 227 1HB LYS 31 HB2 LYS 31 10.526 2.979 -5.157 228 2HB LYS 31 HB3 LYS 31 9.970 4.646 -5.501 229 1HG LYS 31 HG2 LYS 31 11.749 5.623 -4.126 230 2HG LYS 31 HG3 LYS 31 12.376 3.987 -3.720 231 1HD LYS 31 HD2 LYS 31 12.832 3.513 -6.086 232 2HD LYS 31 HD3 LYS 31 12.191 5.131 -6.561 233 1HE LYS 31 HE2 LYS 31 13.998 6.253 -5.205 234 2HE LYS 31 HE3 LYS 31 14.648 4.631 -4.731 235 1HZ LYS 31 HZ2 LYS 31 14.449 5.698 -7.501 236 2HZ LYS 31 HZ3 LYS 31 15.852 5.600 -6.550 237 3HZ LYS 31 HZ1 LYS 31 15.066 4.181 -7.049 238 H LYS 32 HN LYS 32 7.859 1.777 -3.067 239 HA LYS 32 HA LYS 32 5.620 3.148 -4.304 240 1HB LYS 32 HB2 LYS 32 5.158 1.655 -6.040 241 2HB LYS 32 HB3 LYS 32 6.825 2.244 -6.239 242 1HG LYS 32 HG2 LYS 32 7.177 0.098 -6.749 243 2HG LYS 32 HG3 LYS 32 7.495 0.005 -4.974 244 1HD LYS 32 HD2 LYS 32 5.201 -0.994 -4.661 245 2HD LYS 32 HD3 LYS 32 4.810 -0.657 -6.378 246 1HE LYS 32 HE2 LYS 32 5.283 -3.061 -6.071 247 2HE LYS 32 HE3 LYS 32 6.573 -2.318 -7.099 248 1HZ LYS 32 HZ1 LYS 32 7.969 -2.191 -5.138 249 2HZ LYS 32 HZ2 LYS 32 6.759 -2.912 -4.189 250 3HZ LYS 32 HZ3 LYS 32 7.475 -3.784 -5.458 251 1HN ABA 33 HN ABA 33 3.639 2.279 -3.934 252 HA ABA 33 HA ABA 33 3.211 1.315 -1.361 253 1HB ABA 33 HB3 ABA 33 1.425 1.951 -3.734 254 2HB ABA 33 HB2 ABA 33 1.880 3.021 -2.387 255 1HG ABA 33 HG1 ABA 33 0.750 1.472 -0.766 256 2HG ABA 33 HG2 ABA 33 -0.376 2.234 -1.965 257 3HG ABA 33 HG3 ABA 33 0.092 0.505 -2.132 258 H ARG 34 HN ARG 34 2.532 -0.660 -0.630 259 HA ARG 34 HA ARG 34 2.259 -2.912 -2.494 260 1HB ARG 34 HB2 ARG 34 4.531 -2.355 -1.005 261 2HB ARG 34 HB3 ARG 34 3.661 -3.394 0.151 262 1HG ARG 34 HG2 ARG 34 3.591 -5.215 -1.544 263 2HG ARG 34 HG3 ARG 34 4.180 -4.074 -2.809 264 1HD ARG 34 HD2 ARG 34 6.332 -3.768 -1.527 265 2HD ARG 34 HD3 ARG 34 5.801 -5.066 -0.367 266 HE ARG 34 HE ARG 34 5.460 -6.372 -2.730 267 1HH1 ARG 34 HH12 ARG 34 8.247 -4.387 -1.671 268 2HH1 ARG 34 HH11 ARG 34 9.387 -5.246 -2.652 269 1HH2 ARG 34 HH22 ARG 34 7.007 -7.495 -4.030 270 2HH2 ARG 34 HH21 ARG 34 8.675 -7.032 -4.006 271 H CYS 35 HN CYS 35 1.491 -4.837 -0.703 272 HA CYS 35 HA CYS 35 -0.501 -3.754 1.043 273 1HB CYS 35 HB2 CYS 35 -1.408 -4.124 -1.511 274 2HB CYS 35 HB3 CYS 35 -1.677 -5.768 -0.889 275 H TYR 36 HN TYR 36 -1.049 -5.157 2.550 276 HA TYR 36 HA TYR 36 0.791 -7.442 2.978 277 1HB TYR 36 HB2 TYR 36 0.338 -4.799 4.439 278 2HB TYR 36 HB3 TYR 36 0.846 -6.222 5.437 279 HD1 TYR 36 HD1 TYR 36 1.756 -3.865 2.800 280 HD2 TYR 36 HD2 TYR 36 3.058 -7.206 5.114 281 HE1 TYR 36 HE1 TYR 36 4.131 -3.295 2.263 282 HE2 TYR 36 HE2 TYR 36 5.427 -6.710 4.530 283 HH TYR 36 HH TYR 36 6.282 -3.878 2.487 284 H SER 37 HN SER 37 -1.864 -7.338 2.079 285 HA SER 37 HA SER 37 -3.826 -7.681 4.036 286 1HB SER 37 HB2 SER 37 -4.213 -7.247 1.543 287 2HB SER 37 HB3 SER 37 -3.828 -8.974 1.246 288 HG SER 37 HG SER 37 -6.044 -8.552 1.457 No H/Q in entry = 288 Start of MODEL 25 1 HA PCA 1 HA PGL 1 -1.625 -8.874 -6.904 2 1HB PCA 1 HB2 PGL 1 -2.844 -6.405 -8.286 3 2HB PCA 1 HB3 PGL 1 -1.840 -7.720 -9.010 4 1HG PCA 1 HG2 PGL 1 -4.644 -7.586 -9.168 5 2HG PCA 1 HG3 PGL 1 -3.751 -9.176 -9.129 6 HN PCA 1 HN PGL 1 -3.588 -8.504 -5.286 7 H PHE 2 HN PHE 2 -0.354 -6.446 -7.614 8 HA PHE 2 HA PHE 2 0.139 -5.123 -5.032 9 1HB PHE 2 HB2 PHE 2 1.906 -5.227 -7.576 10 2HB PHE 2 HB3 PHE 2 2.376 -4.566 -5.963 11 HD1 PHE 2 HD1 PHE 2 1.794 -6.463 -3.972 12 HD2 PHE 2 HD2 PHE 2 2.909 -7.223 -8.057 13 HE1 PHE 2 HE1 PHE 2 2.642 -8.692 -3.331 14 HE2 PHE 2 HE2 PHE 2 3.767 -9.445 -7.407 15 HZ PHE 2 HZ PHE 2 3.631 -10.188 -5.045 16 H THR 3 HN THR 3 0.678 -2.720 -5.275 17 HA THR 3 HA THR 3 -0.977 -1.461 -7.354 18 HB THR 3 HB THR 3 -1.494 0.284 -6.035 19 HG1 THR 3 HG1 THR 3 -0.397 0.651 -4.003 20 1HG2 THR 3 HG21 THR 3 -2.369 -1.942 -5.058 21 2HG2 THR 3 HG22 THR 3 -1.040 -1.871 -3.853 22 3HG2 THR 3 HG23 THR 3 -2.288 -0.582 -3.877 23 H ASN 4 HN ASN 4 -0.026 0.720 -8.136 24 HA ASN 4 HA ASN 4 2.899 0.788 -8.225 25 1HB ASN 4 HB2 ASN 4 2.742 1.384 -10.727 26 2HB ASN 4 HB3 ASN 4 2.517 -0.333 -10.303 27 1HD2 ASN 4 HD22 ASN 4 -0.777 -0.643 -11.555 28 2HD2 ASN 4 HD21 ASN 4 0.532 -1.373 -10.689 29 H VAL 5 HN VAL 5 1.440 2.027 -6.440 30 HA VAL 5 HA VAL 5 1.319 4.867 -7.206 31 HB VAL 5 HB VAL 5 0.229 3.176 -4.893 32 1HG1 VAL 5 HG12 VAL 5 0.353 6.256 -5.045 33 2HG1 VAL 5 HG13 VAL 5 -0.732 5.320 -3.953 34 3HG1 VAL 5 HG11 VAL 5 1.044 5.177 -3.762 35 1HG2 VAL 5 HG22 VAL 5 -1.066 4.967 -7.049 36 2HG2 VAL 5 HG23 VAL 5 -1.129 3.166 -6.953 37 3HG2 VAL 5 HG21 VAL 5 -1.952 4.164 -5.704 38 H SER 6 HN SER 6 2.673 6.309 -5.793 39 HA SER 6 HA SER 6 5.168 5.012 -4.990 40 1HB SER 6 HB2 SER 6 6.088 7.378 -4.941 41 2HB SER 6 HB3 SER 6 5.575 6.736 -6.526 42 HG SER 6 HG SER 6 4.008 8.411 -4.864 43 H CYS 7 HN CYS 7 6.004 5.036 -2.961 44 HA CYS 7 HA CYS 7 4.501 6.395 -0.796 45 1HB CYS 7 HB2 CYS 7 3.296 4.488 -0.803 46 2HB CYS 7 HB3 CYS 7 4.661 3.423 -1.039 47 H THR 8 HN THR 8 5.632 6.837 0.965 48 HA THR 8 HA THR 8 8.462 6.134 1.201 49 HB THR 8 HB THR 8 8.922 8.489 2.103 50 HG1 THR 8 HG1 THR 8 6.609 9.025 0.539 51 1HG2 THR 8 HG22 THR 8 9.801 7.569 -0.061 52 2HG2 THR 8 HG23 THR 8 8.340 8.186 -0.918 53 3HG2 THR 8 HG21 THR 8 9.480 9.339 -0.133 54 H THR 9 HN THR 9 5.458 7.480 2.700 55 HA THR 9 HA THR 9 6.276 6.484 5.340 56 HB THR 9 HB THR 9 4.304 7.980 6.101 57 HG1 THR 9 HG1 THR 9 3.473 8.336 3.997 58 1HG2 THR 9 HG22 THR 9 6.741 8.450 6.436 59 2HG2 THR 9 HG23 THR 9 6.798 9.282 4.833 60 3HG2 THR 9 HG21 THR 9 5.765 9.940 6.162 61 H SER 10 HN SER 10 5.185 4.846 6.303 62 HA SER 10 HA SER 10 3.159 3.421 4.791 63 1HB SER 10 HB2 SER 10 3.560 1.590 6.492 64 2HB SER 10 HB3 SER 10 4.967 2.056 5.485 65 HG SER 10 HG SER 10 5.509 1.812 7.640 66 H LYS 11 HN LYS 11 1.593 5.126 5.083 67 HA LYS 11 HA LYS 11 -0.352 4.583 6.950 68 1HB LYS 11 HB2 LYS 11 1.216 5.882 8.542 69 2HB LYS 11 HB3 LYS 11 0.905 7.339 7.560 70 1HG LYS 11 HG2 LYS 11 -1.555 7.131 8.118 71 2HG LYS 11 HG3 LYS 11 -1.219 5.563 8.935 72 1HD LYS 11 HD2 LYS 11 0.252 6.774 10.597 73 2HD LYS 11 HD3 LYS 11 -0.165 8.327 9.797 74 1HE LYS 11 HE2 LYS 11 -1.557 8.021 11.829 75 2HE LYS 11 HE3 LYS 11 -2.612 7.936 10.361 76 1HZ LYS 11 HZ2 LYS 11 -1.524 5.603 11.850 77 2HZ LYS 11 HZ3 LYS 11 -3.097 6.229 11.991 78 3HZ LYS 11 HZ1 LYS 11 -2.578 5.557 10.519 79 H GLU 12 HN GLU 12 1.262 6.904 4.740 80 HA GLU 12 HA GLU 12 -0.540 8.365 3.576 81 1HB GLU 12 HB2 GLU 12 2.001 8.027 3.390 82 2HB GLU 12 HB3 GLU 12 1.704 6.760 2.181 83 1HG GLU 12 HG2 GLU 12 0.480 8.595 0.777 84 2HG GLU 12 HG3 GLU 12 1.020 9.756 2.052 85 1HN ABA 13 HN ABA 13 0.146 4.967 2.680 86 HA ABA 13 HA ABA 13 -1.633 5.066 0.341 87 1HB ABA 13 HB3 ABA 13 0.779 4.899 -0.123 88 2HB ABA 13 HB2 ABA 13 -0.056 3.414 -0.599 89 1HG ABA 13 HG1 ABA 13 0.800 2.291 1.542 90 2HG ABA 13 HG2 ABA 13 2.089 2.951 0.472 91 3HG ABA 13 HG3 ABA 13 1.624 3.857 1.955 92 H TRP 14 HN TRP 14 -2.322 4.405 3.227 93 HA TRP 14 HA TRP 14 -3.085 1.627 3.171 94 1HB TRP 14 HB2 TRP 14 -3.361 3.905 5.207 95 2HB TRP 14 HB3 TRP 14 -4.108 2.295 5.482 96 HD1 TRP 14 HD1 TRP 14 -0.412 2.856 4.131 97 HE1 TRP 14 HE1 TRP 14 1.018 1.255 5.442 98 HE3 TRP 14 HE3 TRP 14 -3.853 1.476 7.657 99 HZ2 TRP 14 HZ2 TRP 14 0.798 -0.344 7.806 100 HZ3 TRP 14 HZ3 TRP 14 -3.194 -0.178 9.372 101 HH2 TRP 14 HH2 TRP 14 -0.907 -1.124 9.391 102 H SER 15 HN SER 15 -4.572 4.720 2.292 103 HA SER 15 HA SER 15 -7.226 3.620 2.059 104 1HB SER 15 HB2 SER 15 -7.804 5.968 1.316 105 2HB SER 15 HB3 SER 15 -7.128 5.846 2.969 106 HG SER 15 HG SER 15 -5.648 6.526 0.656 107 H VAL 16 HN VAL 16 -4.443 3.166 0.361 108 HA VAL 16 HA VAL 16 -5.700 3.223 -2.292 109 HB VAL 16 HB VAL 16 -2.822 2.574 -1.452 110 1HG1 VAL 16 HG13 VAL 16 -4.088 2.944 -4.255 111 2HG1 VAL 16 HG11 VAL 16 -2.324 2.829 -3.900 112 3HG1 VAL 16 HG12 VAL 16 -3.379 1.415 -3.603 113 1HG2 VAL 16 HG22 VAL 16 -4.097 5.099 -2.700 114 2HG2 VAL 16 HG23 VAL 16 -3.420 4.965 -1.034 115 3HG2 VAL 16 HG21 VAL 16 -2.333 4.822 -2.454 116 H CYS 17 HN CYS 17 -4.442 0.924 0.227 117 HA CYS 17 HA CYS 17 -5.249 -1.412 -1.254 118 1HB CYS 17 HB2 CYS 17 -4.008 -0.829 1.456 119 2HB CYS 17 HB3 CYS 17 -4.728 -2.440 1.202 120 H GLN 18 HN GLN 18 -7.042 0.899 0.575 121 HA GLN 18 HA GLN 18 -9.086 -0.899 1.466 122 1HB GLN 18 HB2 GLN 18 -8.192 1.110 2.727 123 2HB GLN 18 HB3 GLN 18 -8.927 2.174 1.493 124 1HG GLN 18 HG2 GLN 18 -11.194 1.197 2.063 125 2HG GLN 18 HG3 GLN 18 -10.383 0.111 3.259 126 1HE2 GLN 18 HE22 GLN 18 -11.391 3.934 4.309 127 2HE2 GLN 18 HE21 GLN 18 -11.922 3.159 2.854 128 H ARG 19 HN ARG 19 -8.422 1.444 -1.159 129 HA ARG 19 HA ARG 19 -11.103 1.364 -2.219 130 1HB ARG 19 HB2 ARG 19 -8.559 2.847 -3.094 131 2HB ARG 19 HB3 ARG 19 -10.181 3.059 -3.865 132 1HG ARG 19 HG2 ARG 19 -9.600 3.693 -0.936 133 2HG ARG 19 HG3 ARG 19 -9.583 4.830 -2.334 134 1HD ARG 19 HD2 ARG 19 -12.025 3.973 -2.805 135 2HD ARG 19 HD3 ARG 19 -11.948 3.275 -1.115 136 HE ARG 19 HE ARG 19 -11.030 6.067 -1.427 137 1HH1 ARG 19 HH12 ARG 19 -13.918 4.035 -0.860 138 2HH1 ARG 19 HH11 ARG 19 -14.848 5.300 -0.127 139 1HH2 ARG 19 HH22 ARG 19 -12.299 7.765 -0.383 140 2HH2 ARG 19 HH21 ARG 19 -13.916 7.443 0.148 141 H LEU 20 HN LEU 20 -8.009 -0.283 -2.890 142 HA LEU 20 HA LEU 20 -8.819 -1.099 -5.536 143 1HB LEU 20 HB2 LEU 20 -6.495 -0.389 -5.151 144 2HB LEU 20 HB3 LEU 20 -6.308 -1.618 -3.867 145 HG LEU 20 HG LEU 20 -6.610 -3.428 -5.523 146 1HD1 LEU 20 HD13 LEU 20 -8.032 -2.309 -7.258 147 2HD1 LEU 20 HD11 LEU 20 -6.671 -1.200 -7.670 148 3HD1 LEU 20 HD12 LEU 20 -6.531 -2.969 -7.995 149 1HD2 LEU 20 HD23 LEU 20 -4.361 -2.638 -4.959 150 2HD2 LEU 20 HD21 LEU 20 -4.427 -3.203 -6.669 151 3HD2 LEU 20 HD22 LEU 20 -4.406 -1.435 -6.305 152 H HIS 21 HN HIS 21 -8.278 -2.487 -2.206 153 HA HIS 21 HA HIS 21 -9.536 -5.002 -3.061 154 1HB HIS 21 HB2 HIS 21 -7.419 -4.453 -0.893 155 2HB HIS 21 HB3 HIS 21 -8.199 -6.044 -1.222 156 HD1 HIS 21 HD1 HIS 21 -7.584 -7.114 -3.633 157 HD2 HIS 21 HD2 HIS 21 -5.255 -3.790 -2.551 158 HE1 HIS 21 HE1 HIS 21 -5.505 -7.075 -5.114 159 H ASN 22 HN ASN 22 -9.024 -4.705 0.206 160 HA ASN 22 HA ASN 22 -11.056 -3.130 1.165 161 1HB ASN 22 HB2 ASN 22 -12.827 -4.770 1.894 162 2HB ASN 22 HB3 ASN 22 -12.817 -4.461 0.143 163 1HD2 ASN 22 HD22 ASN 22 -11.924 -7.813 -0.837 164 2HD2 ASN 22 HD21 ASN 22 -11.820 -6.149 -1.308 165 H THR 23 HN THR 23 -8.723 -3.058 2.084 166 HA THR 23 HA THR 23 -8.809 -4.473 4.599 167 HB THR 23 HB THR 23 -7.515 -5.945 2.942 168 HG1 THR 23 HG1 THR 23 -5.984 -6.411 4.472 169 1HG2 THR 23 HG22 THR 23 -6.168 -4.120 1.809 170 2HG2 THR 23 HG23 THR 23 -5.276 -3.864 3.367 171 3HG2 THR 23 HG21 THR 23 -5.163 -5.435 2.526 172 H SER 24 HN SER 24 -6.345 -3.495 5.566 173 HA SER 24 HA SER 24 -6.640 -0.578 5.302 174 1HB SER 24 HB2 SER 24 -6.372 -0.363 7.811 175 2HB SER 24 HB3 SER 24 -7.949 -1.016 7.260 176 HG SER 24 HG SER 24 -7.093 -2.146 9.004 177 H ARG 25 HN ARG 25 -4.695 -3.487 6.069 178 HA ARG 25 HA ARG 25 -2.292 -1.928 6.430 179 1HB ARG 25 HB2 ARG 25 -1.259 -4.240 6.920 180 2HB ARG 25 HB3 ARG 25 -2.378 -3.518 8.100 181 1HG ARG 25 HG2 ARG 25 -3.551 -5.391 6.023 182 2HG ARG 25 HG3 ARG 25 -2.591 -6.086 7.367 183 1HD ARG 25 HD2 ARG 25 -4.070 -5.419 9.052 184 2HD ARG 25 HD3 ARG 25 -4.737 -4.046 8.068 185 HE ARG 25 HE ARG 25 -5.559 -6.075 6.515 186 1HH1 ARG 25 HH12 ARG 25 -5.811 -5.699 10.071 187 2HH1 ARG 25 HH11 ARG 25 -7.307 -6.566 10.184 188 1HH2 ARG 25 HH22 ARG 25 -7.535 -7.288 6.714 189 2HH2 ARG 25 HH21 ARG 25 -8.296 -7.477 8.259 190 H GLY 26 HN GLY 26 -0.784 -1.745 5.035 191 1HA GLY 26 HA1 GLY 26 -0.043 -3.143 2.803 192 2HA GLY 26 HA2 GLY 26 -1.424 -2.067 2.303 193 H LYS 27 HN LYS 27 1.920 -2.275 3.061 194 HA LYS 27 HA LYS 27 2.273 0.551 3.733 195 1HB LYS 27 HB2 LYS 27 4.158 -1.853 4.172 196 2HB LYS 27 HB3 LYS 27 4.368 -0.179 4.806 197 1HG LYS 27 HG2 LYS 27 2.292 -0.480 6.172 198 2HG LYS 27 HG3 LYS 27 2.158 -2.174 5.564 199 1HD LYS 27 HD2 LYS 27 4.409 -2.695 6.520 200 2HD LYS 27 HD3 LYS 27 4.518 -1.017 7.172 201 1HE LYS 27 HE2 LYS 27 2.512 -1.435 8.624 202 2HE LYS 27 HE3 LYS 27 2.359 -3.107 7.943 203 1HZ LYS 27 HZ1 LYS 27 4.538 -3.597 8.829 204 2HZ LYS 27 HZ2 LYS 27 4.673 -2.029 9.467 205 3HZ LYS 27 HZ3 LYS 27 3.476 -3.082 10.050 206 H CYS 28 HN CYS 28 5.248 -0.042 3.140 207 HA CYS 28 HA CYS 28 5.375 -0.566 0.335 208 1HB CYS 28 HB2 CYS 28 6.440 1.695 -0.272 209 2HB CYS 28 HB3 CYS 28 4.712 1.696 0.102 210 H MET 29 HN MET 29 7.670 -0.187 -0.425 211 HA MET 29 HA MET 29 9.602 -1.013 1.610 212 1HB MET 29 HB2 MET 29 9.079 -2.324 -0.542 213 2HB MET 29 HB3 MET 29 10.071 -1.138 -1.406 214 1HG MET 29 HG2 MET 29 10.998 -2.648 1.133 215 2HG MET 29 HG3 MET 29 11.012 -3.445 -0.458 216 1HE MET 29 HE3 MET 29 11.930 -1.632 -2.608 217 2HE MET 29 HE1 MET 29 13.713 -1.828 -2.573 218 3HE MET 29 HE2 MET 29 12.649 -3.247 -2.288 219 H ASN 30 HN ASN 30 11.239 0.337 -0.981 220 HA ASN 30 HA ASN 30 11.780 2.759 0.489 221 1HB ASN 30 HB2 ASN 30 13.684 3.107 -1.030 222 2HB ASN 30 HB3 ASN 30 13.688 1.548 -0.156 223 1HD2 ASN 30 HD22 ASN 30 14.911 0.632 -3.449 224 2HD2 ASN 30 HD21 ASN 30 15.414 1.478 -2.024 225 H LYS 31 HN LYS 31 10.061 1.956 -2.475 226 HA LYS 31 HA LYS 31 9.827 4.828 -3.156 227 1HB LYS 31 HB2 LYS 31 10.385 2.457 -4.997 228 2HB LYS 31 HB3 LYS 31 9.927 4.098 -5.572 229 1HG LYS 31 HG2 LYS 31 11.892 5.104 -4.491 230 2HG LYS 31 HG3 LYS 31 12.407 3.498 -3.878 231 1HD LYS 31 HD2 LYS 31 13.743 3.981 -5.800 232 2HD LYS 31 HD3 LYS 31 12.606 2.655 -6.234 233 1HE LYS 31 HE2 LYS 31 11.164 4.286 -7.494 234 2HE LYS 31 HE3 LYS 31 12.236 5.650 -6.972 235 1HZ LYS 31 HZ2 LYS 31 13.056 3.323 -8.631 236 2HZ LYS 31 HZ3 LYS 31 12.716 4.892 -9.188 237 3HZ LYS 31 HZ1 LYS 31 14.041 4.624 -8.159 238 H LYS 32 HN LYS 32 8.046 1.614 -3.215 239 HA LYS 32 HA LYS 32 5.753 3.100 -4.307 240 1HB LYS 32 HB2 LYS 32 5.293 1.608 -5.987 241 2HB LYS 32 HB3 LYS 32 7.014 2.054 -6.164 242 1HG LYS 32 HG2 LYS 32 7.568 -0.102 -4.813 243 2HG LYS 32 HG3 LYS 32 5.852 -0.585 -5.120 244 1HD LYS 32 HD2 LYS 32 6.256 -0.241 -7.583 245 2HD LYS 32 HD3 LYS 32 7.989 0.070 -7.221 246 1HE LYS 32 HE2 LYS 32 6.431 -2.569 -6.682 247 2HE LYS 32 HE3 LYS 32 7.704 -2.307 -7.942 248 1HZ LYS 32 HZ2 LYS 32 9.261 -1.848 -6.121 249 2HZ LYS 32 HZ3 LYS 32 8.052 -2.230 -4.991 250 3HZ LYS 32 HZ1 LYS 32 8.611 -3.417 -6.068 251 1HN ABA 33 HN ABA 33 3.752 2.186 -3.889 252 HA ABA 33 HA ABA 33 3.399 1.044 -1.345 253 1HB ABA 33 HB3 ABA 33 1.555 1.899 -3.603 254 2HB ABA 33 HB2 ABA 33 2.012 2.811 -2.145 255 1HG ABA 33 HG1 ABA 33 0.885 1.166 -0.685 256 2HG ABA 33 HG2 ABA 33 -0.261 1.910 -1.883 257 3HG ABA 33 HG3 ABA 33 0.298 0.226 -2.114 258 H ARG 34 HN ARG 34 2.794 -0.988 -0.778 259 HA ARG 34 HA ARG 34 2.364 -3.095 -2.790 260 1HB ARG 34 HB2 ARG 34 3.831 -3.222 -0.076 261 2HB ARG 34 HB3 ARG 34 3.421 -4.653 -1.097 262 1HG ARG 34 HG2 ARG 34 4.809 -3.775 -2.940 263 2HG ARG 34 HG3 ARG 34 5.271 -2.345 -1.947 264 1HD ARG 34 HD2 ARG 34 6.408 -3.771 -0.285 265 2HD ARG 34 HD3 ARG 34 5.838 -5.276 -1.145 266 HE ARG 34 HE ARG 34 7.247 -3.571 -3.016 267 1HH1 ARG 34 HH12 ARG 34 7.899 -5.649 -0.179 268 2HH1 ARG 34 HH11 ARG 34 9.501 -6.068 -0.687 269 1HH2 ARG 34 HH22 ARG 34 9.403 -4.151 -3.682 270 2HH2 ARG 34 HH21 ARG 34 10.366 -5.207 -2.700 271 H CYS 35 HN CYS 35 1.402 -5.028 -1.033 272 HA CYS 35 HA CYS 35 -0.635 -3.838 0.602 273 1HB CYS 35 HB2 CYS 35 -1.405 -4.183 -1.982 274 2HB CYS 35 HB3 CYS 35 -1.720 -5.840 -1.434 275 H TYR 36 HN TYR 36 -1.354 -5.226 2.103 276 HA TYR 36 HA TYR 36 0.187 -7.699 2.553 277 1HB TYR 36 HB2 TYR 36 0.331 -5.017 4.071 278 2HB TYR 36 HB3 TYR 36 0.805 -6.548 4.905 279 HD1 TYR 36 HD2 TYR 36 2.364 -8.050 2.974 280 HD2 TYR 36 HD1 TYR 36 2.207 -3.814 3.637 281 HE1 TYR 36 HE2 TYR 36 4.658 -7.826 2.085 282 HE2 TYR 36 HE1 TYR 36 4.507 -3.578 2.759 283 HH TYR 36 HH TYR 36 6.290 -4.631 1.884 284 H SER 37 HN SER 37 -2.227 -8.085 1.952 285 HA SER 37 HA SER 37 -4.159 -7.539 3.991 286 1HB SER 37 HB2 SER 37 -5.676 -8.969 2.597 287 2HB SER 37 HB3 SER 37 -4.936 -7.587 1.712 288 HG SER 37 HG SER 37 -4.875 -9.519 0.549 No H/Q in entry = 288 Start of MODEL 26 1 HA PCA 1 HA PGL 1 -1.320 -9.130 -5.911 2 1HB PCA 1 HB2 PGL 1 -2.454 -6.942 -7.463 3 2HB PCA 1 HB3 PGL 1 -2.331 -8.673 -7.916 4 1HG PCA 1 HG2 PGL 1 -4.732 -7.175 -6.858 5 2HG PCA 1 HG3 PGL 1 -4.657 -8.658 -7.912 6 HN PCA 1 HN PGL 1 -3.028 -9.539 -4.243 7 H PHE 2 HN PHE 2 -0.132 -6.917 -6.407 8 HA PHE 2 HA PHE 2 -0.056 -5.233 -3.988 9 1HB PHE 2 HB2 PHE 2 2.040 -5.871 -6.187 10 2HB PHE 2 HB3 PHE 2 2.306 -4.661 -4.879 11 HD1 PHE 2 HD2 PHE 2 2.504 -5.345 -2.553 12 HD2 PHE 2 HD1 PHE 2 2.150 -8.250 -5.693 13 HE1 PHE 2 HE2 PHE 2 3.383 -7.091 -1.030 14 HE2 PHE 2 HE1 PHE 2 3.012 -10.001 -4.169 15 HZ PHE 2 HZ PHE 2 3.631 -9.424 -1.837 16 H THR 3 HN THR 3 0.475 -2.871 -4.497 17 HA THR 3 HA THR 3 -0.900 -1.954 -6.911 18 HB THR 3 HB THR 3 -1.410 0.019 -5.954 19 HG1 THR 3 HG1 THR 3 0.390 -0.304 -3.802 20 1HG2 THR 3 HG23 THR 3 -2.517 -1.941 -4.724 21 2HG2 THR 3 HG21 THR 3 -1.245 -1.806 -3.455 22 3HG2 THR 3 HG22 THR 3 -2.374 -0.446 -3.720 23 H ASN 4 HN ASN 4 0.256 0.264 -7.775 24 HA ASN 4 HA ASN 4 3.143 0.123 -7.650 25 1HB ASN 4 HB2 ASN 4 3.390 0.220 -10.128 26 2HB ASN 4 HB3 ASN 4 2.804 -1.361 -9.538 27 1HD2 ASN 4 HD22 ASN 4 0.965 -0.696 -12.659 28 2HD2 ASN 4 HD21 ASN 4 2.592 -0.990 -12.146 29 H VAL 5 HN VAL 5 1.644 1.840 -6.265 30 HA VAL 5 HA VAL 5 1.743 4.391 -7.720 31 HB VAL 5 HB VAL 5 1.108 4.188 -4.757 32 1HG1 VAL 5 HG11 VAL 5 0.085 5.909 -7.126 33 2HG1 VAL 5 HG12 VAL 5 -0.463 6.043 -5.413 34 3HG1 VAL 5 HG13 VAL 5 1.225 6.462 -5.843 35 1HG2 VAL 5 HG22 VAL 5 -0.754 3.337 -7.051 36 2HG2 VAL 5 HG23 VAL 5 -0.183 2.362 -5.634 37 3HG2 VAL 5 HG21 VAL 5 -1.278 3.757 -5.374 38 H SER 6 HN SER 6 2.809 6.130 -5.866 39 HA SER 6 HA SER 6 5.512 5.119 -5.244 40 1HB SER 6 HB2 SER 6 6.227 7.570 -5.326 41 2HB SER 6 HB3 SER 6 5.851 6.758 -6.872 42 HG SER 6 HG SER 6 4.950 8.834 -6.691 43 H CYS 7 HN CYS 7 6.154 5.132 -3.234 44 HA CYS 7 HA CYS 7 4.564 6.604 -1.171 45 1HB CYS 7 HB2 CYS 7 3.519 4.551 -1.196 46 2HB CYS 7 HB3 CYS 7 5.009 3.622 -1.164 47 H THR 8 HN THR 8 5.616 7.058 0.726 48 HA THR 8 HA THR 8 8.506 6.608 0.941 49 HB THR 8 HB THR 8 8.665 8.879 2.077 50 HG1 THR 8 HG1 THR 8 7.113 10.366 1.375 51 1HG2 THR 8 HG22 THR 8 9.548 8.347 -0.218 52 2HG2 THR 8 HG23 THR 8 7.970 8.839 -0.937 53 3HG2 THR 8 HG21 THR 8 8.981 10.050 -0.069 54 H THR 9 HN THR 9 5.371 7.331 2.620 55 HA THR 9 HA THR 9 6.493 6.295 5.146 56 HB THR 9 HB THR 9 4.618 7.642 6.218 57 HG1 THR 9 HG1 THR 9 4.578 8.782 3.612 58 1HG2 THR 9 HG22 THR 9 7.029 8.326 6.159 59 2HG2 THR 9 HG23 THR 9 6.754 9.166 4.585 60 3HG2 THR 9 HG21 THR 9 5.906 9.735 6.071 61 H SER 10 HN SER 10 5.446 4.736 6.326 62 HA SER 10 HA SER 10 3.395 3.161 5.020 63 1HB SER 10 HB2 SER 10 3.848 1.518 6.894 64 2HB SER 10 HB3 SER 10 5.238 1.900 5.823 65 HG SER 10 HG SER 10 5.977 3.350 7.380 66 H LYS 11 HN LYS 11 1.809 4.817 5.132 67 HA LYS 11 HA LYS 11 -0.076 4.668 7.163 68 1HB LYS 11 HB2 LYS 11 1.556 6.221 8.402 69 2HB LYS 11 HB3 LYS 11 1.360 7.408 7.084 70 1HG LYS 11 HG2 LYS 11 -1.173 7.443 7.650 71 2HG LYS 11 HG3 LYS 11 -0.811 6.285 8.976 72 1HD LYS 11 HD2 LYS 11 -0.987 8.442 9.966 73 2HD LYS 11 HD3 LYS 11 0.768 8.043 9.964 74 1HE LYS 11 HE2 LYS 11 1.098 9.546 7.957 75 2HE LYS 11 HE3 LYS 11 -0.682 9.871 7.915 76 1HZ LYS 11 HZ1 LYS 11 -0.498 10.827 10.113 77 2HZ LYS 11 HZ2 LYS 11 1.176 10.541 10.134 78 3HZ LYS 11 HZ3 LYS 11 0.514 11.616 8.998 79 H GLU 12 HN GLU 12 1.499 6.525 4.520 80 HA GLU 12 HA GLU 12 -0.506 7.789 3.315 81 1HB GLU 12 HB2 GLU 12 2.117 7.598 3.156 82 2HB GLU 12 HB3 GLU 12 1.841 6.515 1.793 83 1HG GLU 12 HG2 GLU 12 0.544 8.374 0.625 84 2HG GLU 12 HG3 GLU 12 0.772 9.404 2.097 85 1HN ABA 13 HN ABA 13 0.241 4.379 3.039 86 HA ABA 13 HA ABA 13 -1.014 3.948 0.470 87 1HB ABA 13 HB3 ABA 13 0.001 1.739 0.590 88 2HB ABA 13 HB2 ABA 13 0.328 1.916 2.354 89 1HG ABA 13 HG1 ABA 13 1.590 3.777 0.237 90 2HG ABA 13 HG2 ABA 13 1.990 3.617 1.992 91 3HG ABA 13 HG3 ABA 13 2.319 2.262 0.848 92 H TRP 14 HN TRP 14 -2.402 4.198 3.434 93 HA TRP 14 HA TRP 14 -3.726 1.656 3.629 94 1HB TRP 14 HB2 TRP 14 -3.715 4.184 5.384 95 2HB TRP 14 HB3 TRP 14 -4.675 2.714 5.792 96 HD1 TRP 14 HD1 TRP 14 -0.842 3.032 4.741 97 HE1 TRP 14 HE1 TRP 14 0.359 1.258 6.032 98 HE3 TRP 14 HE3 TRP 14 -4.655 1.623 7.853 99 HZ2 TRP 14 HZ2 TRP 14 -0.149 -0.529 8.195 100 HZ3 TRP 14 HZ3 TRP 14 -4.248 -0.230 9.443 101 HH2 TRP 14 HH2 TRP 14 -2.041 -1.358 9.520 102 H SER 15 HN SER 15 -4.504 4.743 2.162 103 HA SER 15 HA SER 15 -7.343 4.182 1.987 104 1HB SER 15 HB2 SER 15 -7.407 6.395 0.767 105 2HB SER 15 HB3 SER 15 -6.808 6.491 2.452 106 HG SER 15 HG SER 15 -5.181 6.392 0.135 107 H VAL 16 HN VAL 16 -4.493 3.143 0.464 108 HA VAL 16 HA VAL 16 -5.606 3.099 -2.235 109 HB VAL 16 HB VAL 16 -2.848 2.166 -1.321 110 1HG1 VAL 16 HG13 VAL 16 -4.044 2.951 -4.076 111 2HG1 VAL 16 HG11 VAL 16 -2.324 2.524 -3.753 112 3HG1 VAL 16 HG12 VAL 16 -3.599 1.281 -3.571 113 1HG2 VAL 16 HG23 VAL 16 -3.810 4.925 -2.325 114 2HG2 VAL 16 HG21 VAL 16 -3.108 4.554 -0.704 115 3HG2 VAL 16 HG22 VAL 16 -2.090 4.408 -2.172 116 H CYS 17 HN CYS 17 -4.716 0.860 0.484 117 HA CYS 17 HA CYS 17 -5.512 -1.489 -0.993 118 1HB CYS 17 HB2 CYS 17 -4.671 -0.960 1.902 119 2HB CYS 17 HB3 CYS 17 -5.209 -2.580 1.363 120 H GLN 18 HN GLN 18 -7.345 0.933 0.723 121 HA GLN 18 HA GLN 18 -9.561 -0.847 1.367 122 1HB GLN 18 HB2 GLN 18 -9.289 2.198 1.536 123 2HB GLN 18 HB3 GLN 18 -10.768 1.258 2.011 124 1HG GLN 18 HG2 GLN 18 -9.563 0.084 3.762 125 2HG GLN 18 HG3 GLN 18 -8.028 0.903 3.303 126 1HE2 GLN 18 HE22 GLN 18 -10.594 2.715 5.888 127 2HE2 GLN 18 HE21 GLN 18 -10.637 1.038 5.461 128 H ARG 19 HN ARG 19 -8.665 1.693 -0.975 129 HA ARG 19 HA ARG 19 -11.171 1.789 -2.302 130 1HB ARG 19 HB2 ARG 19 -10.516 3.568 -3.415 131 2HB ARG 19 HB3 ARG 19 -9.515 3.641 -1.947 132 1HG ARG 19 HG2 ARG 19 -7.910 4.198 -3.355 133 2HG ARG 19 HG3 ARG 19 -7.672 2.451 -3.628 134 1HD ARG 19 HD2 ARG 19 -9.751 4.019 -5.258 135 2HD ARG 19 HD3 ARG 19 -7.985 4.294 -5.646 136 HE ARG 19 HE ARG 19 -8.317 1.501 -5.612 137 1HH1 ARG 19 HH22 ARG 19 -9.824 4.184 -7.427 138 2HH1 ARG 19 HH21 ARG 19 -10.211 3.212 -8.808 139 1HH2 ARG 19 HH12 ARG 19 -8.808 0.218 -7.491 140 2HH2 ARG 19 HH11 ARG 19 -9.626 0.930 -8.844 141 H LEU 20 HN LEU 20 -8.200 -0.069 -2.899 142 HA LEU 20 HA LEU 20 -8.994 -0.911 -5.533 143 1HB LEU 20 HB2 LEU 20 -6.677 -0.213 -5.084 144 2HB LEU 20 HB3 LEU 20 -6.530 -1.460 -3.809 145 HG LEU 20 HG LEU 20 -6.777 -3.246 -5.458 146 1HD1 LEU 20 HD12 LEU 20 -6.867 -1.019 -7.611 147 2HD1 LEU 20 HD13 LEU 20 -6.666 -2.780 -7.945 148 3HD1 LEU 20 HD11 LEU 20 -8.197 -2.173 -7.222 149 1HD2 LEU 20 HD22 LEU 20 -4.546 -2.422 -4.881 150 2HD2 LEU 20 HD23 LEU 20 -4.588 -3.002 -6.588 151 3HD2 LEU 20 HD21 LEU 20 -4.591 -1.230 -6.238 152 H HIS 21 HN HIS 21 -8.596 -2.302 -2.179 153 HA HIS 21 HA HIS 21 -9.881 -4.784 -3.088 154 1HB HIS 21 HB2 HIS 21 -7.743 -4.359 -0.916 155 2HB HIS 21 HB3 HIS 21 -8.561 -5.916 -1.304 156 HD1 HIS 21 HD1 HIS 21 -8.000 -6.852 -3.816 157 HD2 HIS 21 HD2 HIS 21 -5.539 -3.720 -2.493 158 HE1 HIS 21 HE1 HIS 21 -5.909 -6.808 -5.275 159 H ASN 22 HN ASN 22 -9.346 -4.598 0.159 160 HA ASN 22 HA ASN 22 -11.308 -2.957 1.203 161 1HB ASN 22 HB2 ASN 22 -13.059 -4.770 1.942 162 2HB ASN 22 HB3 ASN 22 -13.165 -4.085 0.308 163 1HD2 ASN 22 HD22 ASN 22 -12.116 -8.103 0.720 164 2HD2 ASN 22 HD21 ASN 22 -11.876 -7.022 2.051 165 H THR 23 HN THR 23 -8.883 -3.057 2.039 166 HA THR 23 HA THR 23 -8.996 -4.440 4.557 167 HB THR 23 HB THR 23 -7.924 -6.117 2.977 168 HG1 THR 23 HG1 THR 23 -7.659 -6.135 5.187 169 1HG2 THR 23 HG21 THR 23 -6.526 -4.471 1.626 170 2HG2 THR 23 HG22 THR 23 -5.487 -4.223 3.091 171 3HG2 THR 23 HG23 THR 23 -5.586 -5.840 2.330 172 H SER 24 HN SER 24 -6.652 -3.680 5.633 173 HA SER 24 HA SER 24 -6.348 -0.820 4.982 174 1HB SER 24 HB2 SER 24 -6.378 -0.184 7.374 175 2HB SER 24 HB3 SER 24 -7.953 -0.800 6.795 176 HG SER 24 HG SER 24 -6.077 -2.035 8.477 177 H ARG 25 HN ARG 25 -4.954 -3.921 5.470 178 HA ARG 25 HA ARG 25 -2.460 -2.904 6.578 179 1HB ARG 25 HB2 ARG 25 -3.369 -5.770 5.944 180 2HB ARG 25 HB3 ARG 25 -1.763 -5.302 6.592 181 1HG ARG 25 HG2 ARG 25 -2.929 -6.086 8.437 182 2HG ARG 25 HG3 ARG 25 -2.863 -4.304 8.616 183 1HD ARG 25 HD2 ARG 25 -5.082 -5.272 9.332 184 2HD ARG 25 HD3 ARG 25 -5.271 -4.135 7.957 185 HE ARG 25 HE ARG 25 -5.668 -5.936 6.434 186 1HH1 ARG 25 HH12 ARG 25 -5.176 -7.176 9.761 187 2HH1 ARG 25 HH11 ARG 25 -5.786 -8.756 9.396 188 1HH2 ARG 25 HH22 ARG 25 -6.480 -8.055 5.981 189 2HH2 ARG 25 HH21 ARG 25 -6.533 -9.261 7.226 190 H GLY 26 HN GLY 26 -0.979 -2.236 5.313 191 1HA GLY 26 HA1 GLY 26 0.039 -3.245 2.973 192 2HA GLY 26 HA2 GLY 26 -1.299 -2.097 2.519 193 H LYS 27 HN LYS 27 1.925 -2.177 2.761 194 HA LYS 27 HA LYS 27 2.277 0.458 4.030 195 1HB LYS 27 HB2 LYS 27 4.215 -1.943 4.244 196 2HB LYS 27 HB3 LYS 27 4.383 -0.328 5.022 197 1HG LYS 27 HG2 LYS 27 2.342 -0.856 6.420 198 2HG LYS 27 HG3 LYS 27 2.254 -2.463 5.616 199 1HD LYS 27 HD2 LYS 27 4.660 -2.891 6.431 200 2HD LYS 27 HD3 LYS 27 4.505 -1.395 7.411 201 1HE LYS 27 HE2 LYS 27 4.000 -3.331 8.847 202 2HE LYS 27 HE3 LYS 27 2.442 -2.453 8.547 203 1HZ LYS 27 HZ1 LYS 27 1.951 -4.063 6.821 204 2HZ LYS 27 HZ2 LYS 27 3.409 -4.879 7.121 205 3HZ LYS 27 HZ3 LYS 27 2.207 -4.822 8.320 206 H CYS 28 HN CYS 28 5.212 0.121 3.277 207 HA CYS 28 HA CYS 28 5.226 -0.382 0.458 208 1HB CYS 28 HB2 CYS 28 5.976 1.942 -0.229 209 2HB CYS 28 HB3 CYS 28 4.305 1.855 0.337 210 H MET 29 HN MET 29 7.497 0.306 -0.420 211 HA MET 29 HA MET 29 9.488 -0.738 1.411 212 1HB MET 29 HB2 MET 29 8.772 -1.700 -0.927 213 2HB MET 29 HB3 MET 29 9.804 -0.424 -1.609 214 1HG MET 29 HG2 MET 29 11.730 -1.381 -0.216 215 2HG MET 29 HG3 MET 29 10.565 -2.545 0.504 216 1HE MET 29 HE1 MET 29 12.575 -1.437 -2.701 217 2HE MET 29 HE2 MET 29 12.010 -2.577 -3.965 218 3HE MET 29 HE3 MET 29 10.896 -1.320 -3.335 219 H ASN 30 HN ASN 30 11.245 0.772 -0.878 220 HA ASN 30 HA ASN 30 11.583 3.201 0.647 221 1HB ASN 30 HB2 ASN 30 13.538 3.624 -0.994 222 2HB ASN 30 HB3 ASN 30 13.633 2.309 0.206 223 1HD2 ASN 30 HD22 ASN 30 13.393 1.328 -3.837 224 2HD2 ASN 30 HD21 ASN 30 12.874 2.892 -3.304 225 H LYS 31 HN LYS 31 10.206 2.375 -2.513 226 HA LYS 31 HA LYS 31 9.620 5.234 -2.999 227 1HB LYS 31 HB2 LYS 31 11.052 3.243 -4.807 228 2HB LYS 31 HB3 LYS 31 10.312 4.735 -5.460 229 1HG LYS 31 HG2 LYS 31 11.710 6.179 -4.112 230 2HG LYS 31 HG3 LYS 31 12.504 4.767 -3.329 231 1HD LYS 31 HD2 LYS 31 13.418 4.002 -5.463 232 2HD LYS 31 HD3 LYS 31 12.518 5.277 -6.358 233 1HE LYS 31 HE2 LYS 31 14.916 5.928 -6.099 234 2HE LYS 31 HE3 LYS 31 13.835 7.072 -5.206 235 1HZ LYS 31 HZ3 LYS 31 14.336 5.870 -3.184 236 2HZ LYS 31 HZ1 LYS 31 15.368 4.814 -4.024 237 3HZ LYS 31 HZ2 LYS 31 15.745 6.467 -3.919 238 H LYS 32 HN LYS 32 8.054 2.094 -2.815 239 HA LYS 32 HA LYS 32 6.009 3.138 -4.608 240 1HB LYS 32 HB2 LYS 32 5.786 1.338 -5.992 241 2HB LYS 32 HB3 LYS 32 7.501 1.831 -6.090 242 1HG LYS 32 HG2 LYS 32 8.072 -0.027 -4.406 243 2HG LYS 32 HG3 LYS 32 6.378 -0.629 -4.613 244 1HD LYS 32 HD2 LYS 32 6.739 -0.907 -7.031 245 2HD LYS 32 HD3 LYS 32 8.389 -0.206 -6.878 246 1HE LYS 32 HE2 LYS 32 8.508 -2.722 -7.018 247 2HE LYS 32 HE3 LYS 32 9.097 -2.135 -5.409 248 1HZ LYS 32 HZ1 LYS 32 6.929 -2.645 -4.499 249 2HZ LYS 32 HZ2 LYS 32 6.390 -3.210 -6.007 250 3HZ LYS 32 HZ3 LYS 32 7.648 -4.017 -5.197 251 1HN ABA 33 HN ABA 33 3.928 2.302 -4.269 252 HA ABA 33 HA ABA 33 3.387 1.558 -1.583 253 1HB ABA 33 HB3 ABA 33 1.704 2.081 -4.085 254 2HB ABA 33 HB2 ABA 33 2.217 3.302 -2.878 255 1HG ABA 33 HG1 ABA 33 -0.197 2.488 -2.699 256 2HG ABA 33 HG2 ABA 33 0.456 0.971 -1.954 257 3HG ABA 33 HG3 ABA 33 0.825 2.577 -1.234 258 H ARG 34 HN ARG 34 2.670 -0.390 -0.829 259 HA ARG 34 HA ARG 34 2.378 -2.675 -2.670 260 1HB ARG 34 HB2 ARG 34 3.798 -2.645 0.069 261 2HB ARG 34 HB3 ARG 34 3.515 -4.086 -0.971 262 1HG ARG 34 HG2 ARG 34 4.902 -2.935 -2.793 263 2HG ARG 34 HG3 ARG 34 5.271 -1.641 -1.605 264 1HD ARG 34 HD2 ARG 34 7.151 -3.156 -1.678 265 2HD ARG 34 HD3 ARG 34 6.323 -3.393 -0.074 266 HE ARG 34 HE ARG 34 5.129 -5.270 -1.818 267 1HH1 ARG 34 HH12 ARG 34 8.455 -4.604 -0.681 268 2HH1 ARG 34 HH11 ARG 34 8.965 -6.256 -0.800 269 1HH2 ARG 34 HH22 ARG 34 5.849 -7.479 -1.987 270 2HH2 ARG 34 HH21 ARG 34 7.472 -7.904 -1.550 271 H CYS 35 HN CYS 35 1.364 -4.549 -1.145 272 HA CYS 35 HA CYS 35 -0.586 -3.530 0.682 273 1HB CYS 35 HB2 CYS 35 -1.570 -3.457 -1.771 274 2HB CYS 35 HB3 CYS 35 -1.691 -5.225 -1.627 275 H TYR 36 HN TYR 36 -1.183 -5.112 2.079 276 HA TYR 36 HA TYR 36 0.378 -7.623 2.080 277 1HB TYR 36 HB2 TYR 36 0.497 -5.197 3.968 278 2HB TYR 36 HB3 TYR 36 0.976 -6.826 4.587 279 HD1 TYR 36 HD2 TYR 36 2.611 -8.083 2.657 280 HD2 TYR 36 HD1 TYR 36 2.314 -3.899 3.557 281 HE1 TYR 36 HE2 TYR 36 4.953 -7.758 1.934 282 HE2 TYR 36 HE1 TYR 36 4.643 -3.559 2.798 283 HH TYR 36 HH TYR 36 6.512 -4.519 2.044 284 H SER 37 HN SER 37 -1.936 -8.220 1.530 285 HA SER 37 HA SER 37 -3.992 -7.802 3.438 286 1HB SER 37 HB2 SER 37 -3.800 -9.777 1.094 287 2HB SER 37 HB3 SER 37 -5.298 -9.399 2.030 288 HG SER 37 HG SER 37 -5.091 -8.219 0.105 No H/Q in entry = 288 Start of MODEL 27 1 HA PCA 1 HA PGL 1 -3.746 -8.686 -3.922 2 1HB PCA 1 HB2 PGL 1 -0.983 -9.817 -4.228 3 2HB PCA 1 HB3 PGL 1 -2.525 -10.643 -3.810 4 1HG PCA 1 HG2 PGL 1 -1.108 -10.604 -6.381 5 2HG PCA 1 HG3 PGL 1 -2.670 -11.450 -5.982 6 HN PCA 1 HN PGL 1 -3.734 -7.570 -6.143 7 H PHE 2 HN PHE 2 -1.183 -7.146 -5.848 8 HA PHE 2 HA PHE 2 -0.367 -5.411 -3.615 9 1HB PHE 2 HB2 PHE 2 1.240 -6.401 -6.077 10 2HB PHE 2 HB3 PHE 2 1.853 -5.241 -4.839 11 HD1 PHE 2 HD1 PHE 2 1.778 -6.046 -2.359 12 HD2 PHE 2 HD2 PHE 2 1.632 -8.680 -5.752 13 HE1 PHE 2 HE1 PHE 2 2.577 -7.911 -0.944 14 HE2 PHE 2 HE2 PHE 2 2.426 -10.545 -4.337 15 HZ PHE 2 HZ PHE 2 2.887 -10.170 -1.928 16 H THR 3 HN THR 3 0.277 -3.253 -4.296 17 HA THR 3 HA THR 3 -1.147 -2.195 -6.633 18 HB THR 3 HB THR 3 -1.012 -0.012 -5.453 19 HG1 THR 3 HG1 THR 3 -0.291 0.090 -3.418 20 1HG2 THR 3 HG21 THR 3 -2.997 -1.565 -5.248 21 2HG2 THR 3 HG22 THR 3 -2.299 -2.228 -3.723 22 3HG2 THR 3 HG23 THR 3 -2.762 -0.494 -3.804 23 H ASN 4 HN ASN 4 0.104 -0.197 -7.562 24 HA ASN 4 HA ASN 4 2.989 -0.380 -7.395 25 1HB ASN 4 HB2 ASN 4 3.139 -0.465 -9.969 26 2HB ASN 4 HB3 ASN 4 2.763 -1.992 -9.128 27 1HD2 ASN 4 HD22 ASN 4 0.029 -0.377 -11.777 28 2HD2 ASN 4 HD21 ASN 4 1.448 0.502 -11.313 29 H VAL 5 HN VAL 5 1.474 1.448 -6.183 30 HA VAL 5 HA VAL 5 1.557 3.869 -7.827 31 HB VAL 5 HB VAL 5 0.964 3.924 -4.850 32 1HG1 VAL 5 HG13 VAL 5 -0.173 5.351 -7.359 33 2HG1 VAL 5 HG11 VAL 5 -0.676 5.644 -5.653 34 3HG1 VAL 5 HG12 VAL 5 0.985 6.072 -6.180 35 1HG2 VAL 5 HG22 VAL 5 -0.857 2.722 -7.021 36 2HG2 VAL 5 HG23 VAL 5 -0.299 1.989 -5.451 37 3HG2 VAL 5 HG21 VAL 5 -1.439 3.383 -5.457 38 H SER 6 HN SER 6 2.621 5.776 -6.157 39 HA SER 6 HA SER 6 5.280 4.805 -5.324 40 1HB SER 6 HB2 SER 6 6.103 7.183 -5.707 41 2HB SER 6 HB3 SER 6 5.776 6.164 -7.136 42 HG SER 6 HG SER 6 4.958 8.247 -7.359 43 H CYS 7 HN CYS 7 5.795 5.041 -3.285 44 HA CYS 7 HA CYS 7 3.805 6.366 -1.518 45 1HB CYS 7 HB2 CYS 7 4.272 4.949 0.228 46 2HB CYS 7 HB3 CYS 7 4.259 3.917 -1.191 47 H THR 8 HN THR 8 4.714 7.188 0.611 48 HA THR 8 HA THR 8 7.351 8.463 0.377 49 HB THR 8 HB THR 8 6.450 10.296 1.910 50 HG1 THR 8 HG1 THR 8 3.999 9.374 0.807 51 1HG2 THR 8 HG22 THR 8 7.068 10.625 -0.493 52 2HG2 THR 8 HG23 THR 8 5.398 10.164 -0.994 53 3HG2 THR 8 HG21 THR 8 5.668 11.648 -0.006 54 H THR 9 HN THR 9 4.683 7.495 2.608 55 HA THR 9 HA THR 9 6.609 6.153 4.377 56 HB THR 9 HB THR 9 5.162 6.994 6.327 57 HG1 THR 9 HG1 THR 9 4.443 8.920 4.362 58 1HG2 THR 9 HG22 THR 9 7.483 7.795 5.830 59 2HG2 THR 9 HG23 THR 9 6.808 9.098 4.777 60 3HG2 THR 9 HG21 THR 9 6.434 9.077 6.538 61 H SER 10 HN SER 10 5.605 4.542 5.712 62 HA SER 10 HA SER 10 3.472 3.055 4.423 63 1HB SER 10 HB2 SER 10 5.353 2.321 6.748 64 2HB SER 10 HB3 SER 10 4.186 1.202 5.935 65 HG SER 10 HG SER 10 6.325 2.589 4.702 66 H LYS 11 HN LYS 11 2.078 5.032 5.190 67 HA LYS 11 HA LYS 11 0.399 4.201 7.256 68 1HB LYS 11 HB2 LYS 11 0.492 6.054 8.822 69 2HB LYS 11 HB3 LYS 11 2.056 5.195 8.775 70 1HG LYS 11 HG2 LYS 11 3.006 7.033 7.320 71 2HG LYS 11 HG3 LYS 11 1.450 7.923 7.494 72 1HD LYS 11 HD2 LYS 11 1.743 7.818 10.019 73 2HD LYS 11 HD3 LYS 11 3.390 7.146 9.757 74 1HE LYS 11 HE2 LYS 11 2.373 9.902 8.746 75 2HE LYS 11 HE3 LYS 11 3.399 9.630 10.212 76 1HZ LYS 11 HZ3 LYS 11 4.144 8.959 7.417 77 2HZ LYS 11 HZ1 LYS 11 4.682 10.296 8.316 78 3HZ LYS 11 HZ2 LYS 11 5.102 8.723 8.799 79 H GLU 12 HN GLU 12 1.546 6.762 4.990 80 HA GLU 12 HA GLU 12 -0.730 8.148 4.559 81 1HB GLU 12 HB2 GLU 12 1.775 8.504 4.075 82 2HB GLU 12 HB3 GLU 12 1.596 7.562 2.599 83 1HG GLU 12 HG2 GLU 12 -0.482 9.722 2.883 84 2HG GLU 12 HG3 GLU 12 1.193 10.349 3.057 85 1HN ABA 13 HN ABA 13 0.478 5.204 3.011 86 HA ABA 13 HA ABA 13 -1.516 5.221 0.864 87 1HB ABA 13 HB3 ABA 13 0.853 5.221 0.253 88 2HB ABA 13 HB2 ABA 13 0.056 3.729 -0.282 89 1HG ABA 13 HG1 ABA 13 1.117 2.482 1.651 90 2HG ABA 13 HG2 ABA 13 2.312 3.300 0.587 91 3HG ABA 13 HG3 ABA 13 1.895 4.023 2.198 92 H TRP 14 HN TRP 14 -2.265 4.487 3.609 93 HA TRP 14 HA TRP 14 -2.939 1.674 3.475 94 1HB TRP 14 HB2 TRP 14 -3.361 3.861 5.567 95 2HB TRP 14 HB3 TRP 14 -4.120 2.240 5.721 96 HD1 TRP 14 HD1 TRP 14 -0.353 2.734 4.589 97 HE1 TRP 14 HE1 TRP 14 0.975 1.149 6.025 98 HE3 TRP 14 HE3 TRP 14 -4.025 1.458 7.914 99 HZ2 TRP 14 HZ2 TRP 14 0.591 -0.405 8.406 100 HZ3 TRP 14 HZ3 TRP 14 -3.495 -0.153 9.709 101 HH2 TRP 14 HH2 TRP 14 -1.227 -1.117 9.912 102 H SER 15 HN SER 15 -4.475 4.751 2.540 103 HA SER 15 HA SER 15 -7.086 3.543 2.248 104 1HB SER 15 HB2 SER 15 -7.793 5.841 1.531 105 2HB SER 15 HB3 SER 15 -7.106 5.762 3.185 106 HG SER 15 HG SER 15 -5.746 6.596 0.847 107 H VAL 16 HN VAL 16 -4.253 3.296 0.620 108 HA VAL 16 HA VAL 16 -5.416 3.230 -2.079 109 HB VAL 16 HB VAL 16 -2.559 2.721 -1.054 110 1HG1 VAL 16 HG12 VAL 16 -3.678 2.970 -3.930 111 2HG1 VAL 16 HG13 VAL 16 -1.933 2.949 -3.473 112 3HG1 VAL 16 HG11 VAL 16 -2.939 1.494 -3.194 113 1HG2 VAL 16 HG23 VAL 16 -3.869 5.163 -2.414 114 2HG2 VAL 16 HG21 VAL 16 -3.251 5.088 -0.721 115 3HG2 VAL 16 HG22 VAL 16 -2.107 4.968 -2.099 116 H CYS 17 HN CYS 17 -4.407 1.077 0.601 117 HA CYS 17 HA CYS 17 -4.964 -1.347 -0.710 118 1HB CYS 17 HB2 CYS 17 -4.761 -0.404 2.179 119 2HB CYS 17 HB3 CYS 17 -5.383 -2.051 1.889 120 H GLN 18 HN GLN 18 -7.175 1.099 0.595 121 HA GLN 18 HA GLN 18 -9.423 -0.715 0.877 122 1HB GLN 18 HB2 GLN 18 -9.271 2.324 1.260 123 2HB GLN 18 HB3 GLN 18 -10.672 1.243 1.665 124 1HG GLN 18 HG2 GLN 18 -9.321 0.064 3.352 125 2HG GLN 18 HG3 GLN 18 -7.896 1.104 2.970 126 1HE2 GLN 18 HE22 GLN 18 -10.902 2.440 5.446 127 2HE2 GLN 18 HE21 GLN 18 -10.874 0.843 4.774 128 H ARG 19 HN ARG 19 -8.271 1.881 -1.280 129 HA ARG 19 HA ARG 19 -10.713 2.140 -2.756 130 1HB ARG 19 HB2 ARG 19 -7.930 3.355 -3.059 131 2HB ARG 19 HB3 ARG 19 -9.274 3.762 -4.184 132 1HG ARG 19 HG2 ARG 19 -9.566 4.075 -1.157 133 2HG ARG 19 HG3 ARG 19 -8.827 5.350 -2.172 134 1HD ARG 19 HD2 ARG 19 -11.609 4.190 -2.817 135 2HD ARG 19 HD3 ARG 19 -11.384 5.509 -1.607 136 HE ARG 19 HE ARG 19 -10.772 5.631 -4.582 137 1HH1 ARG 19 HH12 ARG 19 -11.068 7.372 -1.467 138 2HH1 ARG 19 HH11 ARG 19 -10.945 8.942 -2.191 139 1HH2 ARG 19 HH22 ARG 19 -10.600 7.748 -5.518 140 2HH2 ARG 19 HH21 ARG 19 -10.678 9.155 -4.510 141 H LEU 20 HN LEU 20 -7.827 0.198 -3.110 142 HA LEU 20 HA LEU 20 -8.318 -0.532 -5.891 143 1HB LEU 20 HB2 LEU 20 -6.144 -0.926 -3.831 144 2HB LEU 20 HB3 LEU 20 -6.254 -2.150 -5.137 145 HG LEU 20 HG LEU 20 -4.639 -0.371 -5.482 146 1HD1 LEU 20 HD12 LEU 20 -5.495 -1.799 -7.328 147 2HD1 LEU 20 HD13 LEU 20 -6.795 -0.599 -7.679 148 3HD1 LEU 20 HD11 LEU 20 -5.065 -0.154 -7.927 149 1HD2 LEU 20 HD22 LEU 20 -5.862 1.658 -4.694 150 2HD2 LEU 20 HD23 LEU 20 -5.202 1.850 -6.356 151 3HD2 LEU 20 HD21 LEU 20 -6.960 1.548 -6.121 152 H HIS 21 HN HIS 21 -7.792 -2.272 -2.766 153 HA HIS 21 HA HIS 21 -9.527 -4.456 -3.654 154 1HB HIS 21 HB2 HIS 21 -7.441 -4.306 -1.406 155 2HB HIS 21 HB3 HIS 21 -8.361 -5.773 -1.915 156 HD1 HIS 21 HD1 HIS 21 -7.739 -6.594 -4.485 157 HD2 HIS 21 HD2 HIS 21 -5.197 -3.686 -2.849 158 HE1 HIS 21 HE1 HIS 21 -5.610 -6.516 -5.897 159 H ASN 22 HN ASN 22 -8.997 -4.313 -0.348 160 HA ASN 22 HA ASN 22 -10.879 -2.655 0.718 161 1HB ASN 22 HB2 ASN 22 -12.814 -4.285 1.331 162 2HB ASN 22 HB3 ASN 22 -12.806 -3.579 -0.293 163 1HD2 ASN 22 HD22 ASN 22 -12.995 -6.661 -1.953 164 2HD2 ASN 22 HD21 ASN 22 -13.218 -4.944 -1.953 165 H THR 23 HN THR 23 -8.581 -2.936 1.704 166 HA THR 23 HA THR 23 -8.925 -4.502 4.103 167 HB THR 23 HB THR 23 -7.800 -6.043 2.387 168 HG1 THR 23 HG1 THR 23 -6.423 -6.841 3.920 169 1HG2 THR 23 HG22 THR 23 -6.157 -4.333 1.463 170 2HG2 THR 23 HG23 THR 23 -5.300 -4.368 3.063 171 3HG2 THR 23 HG21 THR 23 -5.385 -5.848 2.060 172 H SER 24 HN SER 24 -6.583 -3.951 5.367 173 HA SER 24 HA SER 24 -6.196 -1.055 5.091 174 1HB SER 24 HB2 SER 24 -6.715 -0.584 7.476 175 2HB SER 24 HB3 SER 24 -8.144 -1.113 6.540 176 HG SER 24 HG SER 24 -6.628 -2.586 8.405 177 H ARG 25 HN ARG 25 -4.966 -4.211 5.796 178 HA ARG 25 HA ARG 25 -2.529 -3.167 7.015 179 1HB ARG 25 HB2 ARG 25 -1.986 -5.797 6.889 180 2HB ARG 25 HB3 ARG 25 -2.892 -5.056 8.225 181 1HG ARG 25 HG2 ARG 25 -4.446 -6.138 5.847 182 2HG ARG 25 HG3 ARG 25 -3.776 -7.264 7.065 183 1HD ARG 25 HD2 ARG 25 -5.248 -6.715 8.718 184 2HD ARG 25 HD3 ARG 25 -5.206 -4.943 8.326 185 HE ARG 25 HE ARG 25 -6.551 -6.001 6.157 186 1HH1 ARG 25 HH22 ARG 25 -7.081 -6.101 9.698 187 2HH1 ARG 25 HH21 ARG 25 -8.809 -6.110 9.566 188 1HH2 ARG 25 HH12 ARG 25 -8.871 -6.030 6.015 189 2HH2 ARG 25 HH11 ARG 25 -9.836 -6.070 7.454 190 H GLY 26 HN GLY 26 -0.853 -2.773 5.894 191 1HA GLY 26 HA1 GLY 26 -0.059 -3.649 3.390 192 2HA GLY 26 HA2 GLY 26 -1.074 -2.139 3.264 193 H LYS 27 HN LYS 27 1.784 -2.232 2.725 194 HA LYS 27 HA LYS 27 2.673 -0.231 4.636 195 1HB LYS 27 HB2 LYS 27 4.489 -2.625 3.891 196 2HB LYS 27 HB3 LYS 27 4.924 -1.207 4.912 197 1HG LYS 27 HG2 LYS 27 3.246 -2.011 6.634 198 2HG LYS 27 HG3 LYS 27 2.942 -3.439 5.582 199 1HD LYS 27 HD2 LYS 27 5.662 -3.596 5.720 200 2HD LYS 27 HD3 LYS 27 5.342 -2.801 7.302 201 1HE LYS 27 HE2 LYS 27 3.725 -4.700 7.868 202 2HE LYS 27 HE3 LYS 27 4.096 -5.450 6.259 203 1HZ LYS 27 HZ3 LYS 27 6.425 -5.546 6.952 204 2HZ LYS 27 HZ1 LYS 27 5.997 -4.965 8.490 205 3HZ LYS 27 HZ2 LYS 27 5.394 -6.456 7.946 206 H CYS 28 HN CYS 28 5.317 -0.301 3.304 207 HA CYS 28 HA CYS 28 4.932 -0.373 0.515 208 1HB CYS 28 HB2 CYS 28 4.794 1.948 -0.062 209 2HB CYS 28 HB3 CYS 28 3.993 2.017 1.485 210 H MET 29 HN MET 29 7.195 0.611 -0.439 211 HA MET 29 HA MET 29 9.252 -0.729 1.189 212 1HB MET 29 HB2 MET 29 8.480 -1.648 -1.156 213 2HB MET 29 HB3 MET 29 9.501 -0.352 -1.815 214 1HG MET 29 HG2 MET 29 11.224 -1.382 0.057 215 2HG MET 29 HG3 MET 29 10.153 -2.804 -0.102 216 1HE MET 29 HE3 MET 29 9.318 -3.084 -2.999 217 2HE MET 29 HE1 MET 29 10.673 -3.938 -3.819 218 3HE MET 29 HE2 MET 29 10.178 -4.424 -2.163 219 H ASN 30 HN ASN 30 11.003 0.721 -1.052 220 HA ASN 30 HA ASN 30 11.480 3.120 0.471 221 1HB ASN 30 HB2 ASN 30 13.424 3.424 -1.235 222 2HB ASN 30 HB3 ASN 30 13.474 2.123 -0.017 223 1HD2 ASN 30 HD22 ASN 30 12.979 1.063 -4.024 224 2HD2 ASN 30 HD21 ASN 30 12.487 2.638 -3.498 225 H LYS 31 HN LYS 31 10.018 2.367 -2.674 226 HA LYS 31 HA LYS 31 9.400 5.220 -3.074 227 1HB LYS 31 HB2 LYS 31 10.631 3.254 -5.087 228 2HB LYS 31 HB3 LYS 31 9.983 4.867 -5.529 229 1HG LYS 31 HG2 LYS 31 11.665 6.013 -4.183 230 2HG LYS 31 HG3 LYS 31 12.357 4.444 -3.642 231 1HD LYS 31 HD2 LYS 31 12.846 3.821 -5.997 232 2HD LYS 31 HD3 LYS 31 12.210 5.413 -6.553 233 1HE LYS 31 HE2 LYS 31 14.016 6.587 -5.225 234 2HE LYS 31 HE3 LYS 31 14.655 4.978 -4.693 235 1HZ LYS 31 HZ1 LYS 31 15.038 4.442 -7.013 236 2HZ LYS 31 HZ2 LYS 31 14.471 5.969 -7.491 237 3HZ LYS 31 HZ3 LYS 31 15.874 5.843 -6.542 238 H LYS 32 HN LYS 32 7.851 2.132 -2.689 239 HA LYS 32 HA LYS 32 5.749 2.992 -4.512 240 1HB LYS 32 HB2 LYS 32 5.535 1.082 -5.747 241 2HB LYS 32 HB3 LYS 32 7.246 1.579 -5.907 242 1HG LYS 32 HG2 LYS 32 7.827 -0.185 -4.102 243 2HG LYS 32 HG3 LYS 32 6.124 -0.762 -4.246 244 1HD LYS 32 HD2 LYS 32 6.508 -0.958 -6.758 245 2HD LYS 32 HD3 LYS 32 8.259 -0.675 -6.433 246 1HE LYS 32 HE2 LYS 32 8.190 -2.732 -4.850 247 2HE LYS 32 HE3 LYS 32 6.489 -3.015 -5.399 248 1HZ LYS 32 HZ3 LYS 32 7.330 -3.212 -7.653 249 2HZ LYS 32 HZ1 LYS 32 8.923 -2.983 -7.107 250 3HZ LYS 32 HZ2 LYS 32 8.044 -4.347 -6.609 251 1HN ABA 33 HN ABA 33 3.688 1.995 -4.084 252 HA ABA 33 HA ABA 33 3.283 1.324 -1.319 253 1HB ABA 33 HB3 ABA 33 1.351 1.733 -3.640 254 2HB ABA 33 HB2 ABA 33 1.924 2.975 -2.470 255 1HG ABA 33 HG1 ABA 33 0.995 1.692 -0.578 256 2HG ABA 33 HG2 ABA 33 -0.264 2.241 -1.758 257 3HG ABA 33 HG3 ABA 33 0.233 0.514 -1.697 258 H ARG 34 HN ARG 34 2.378 -0.676 -0.619 259 HA ARG 34 HA ARG 34 1.792 -2.774 -2.524 260 1HB ARG 34 HB2 ARG 34 3.883 -3.130 -0.313 261 2HB ARG 34 HB3 ARG 34 2.922 -4.511 -0.954 262 1HG ARG 34 HG2 ARG 34 3.653 -3.923 -3.288 263 2HG ARG 34 HG3 ARG 34 4.819 -2.750 -2.582 264 1HD ARG 34 HD2 ARG 34 4.721 -5.788 -1.956 265 2HD ARG 34 HD3 ARG 34 5.809 -4.996 -3.178 266 HE ARG 34 HE ARG 34 5.936 -3.840 -0.427 267 1HH1 ARG 34 HH12 ARG 34 7.278 -6.294 -2.654 268 2HH1 ARG 34 HH11 ARG 34 8.766 -6.467 -1.782 269 1HH2 ARG 34 HH22 ARG 34 7.951 -4.096 0.732 270 2HH2 ARG 34 HH21 ARG 34 9.150 -5.208 0.154 271 H CYS 35 HN CYS 35 0.881 -4.674 -0.989 272 HA CYS 35 HA CYS 35 -0.736 -3.627 1.111 273 1HB CYS 35 HB2 CYS 35 -1.944 -3.184 -1.197 274 2HB CYS 35 HB3 CYS 35 -2.231 -4.942 -1.234 275 H TYR 36 HN TYR 36 -1.444 -5.324 2.395 276 HA TYR 36 HA TYR 36 0.086 -7.845 2.021 277 1HB TYR 36 HB2 TYR 36 0.306 -5.647 4.126 278 2HB TYR 36 HB3 TYR 36 0.696 -7.347 4.610 279 HD1 TYR 36 HD1 TYR 36 2.447 -8.602 3.350 280 HD2 TYR 36 HD2 TYR 36 1.902 -4.375 2.904 281 HE1 TYR 36 HE1 TYR 36 4.819 -8.366 2.659 282 HE2 TYR 36 HE2 TYR 36 4.256 -4.114 2.230 283 HH TYR 36 HH TYR 36 6.461 -6.964 2.090 284 H SER 37 HN SER 37 -1.985 -8.719 1.527 285 HA SER 37 HA SER 37 -3.397 -9.549 3.992 286 1HB SER 37 HB2 SER 37 -4.345 -9.660 1.064 287 2HB SER 37 HB3 SER 37 -5.181 -10.448 2.462 288 HG SER 37 HG SER 37 -6.059 -8.454 1.977 No H/Q in entry = 288 Start of MODEL 28 1 HA PCA 1 HA PGL 1 -3.953 -7.777 -5.785 2 1HB PCA 1 HB2 PGL 1 -3.629 -9.216 -3.322 3 2HB PCA 1 HB3 PGL 1 -4.617 -9.713 -4.729 4 1HG PCA 1 HG2 PGL 1 -1.834 -10.683 -3.979 5 2HG PCA 1 HG3 PGL 1 -3.207 -11.579 -4.776 6 HN PCA 1 HN PGL 1 -2.040 -8.401 -7.127 7 H PHE 2 HN PHE 2 -1.329 -6.701 -6.301 8 HA PHE 2 HA PHE 2 -0.657 -5.272 -3.815 9 1HB PHE 2 HB2 PHE 2 1.218 -6.153 -6.132 10 2HB PHE 2 HB3 PHE 2 1.705 -5.230 -4.659 11 HD1 PHE 2 HD2 PHE 2 0.756 -6.450 -2.390 12 HD2 PHE 2 HD1 PHE 2 1.754 -8.413 -6.074 13 HE1 PHE 2 HE2 PHE 2 1.065 -8.582 -1.166 14 HE2 PHE 2 HE1 PHE 2 2.067 -10.542 -4.854 15 HZ PHE 2 HZ PHE 2 1.716 -10.633 -2.401 16 H THR 3 HN THR 3 0.281 -3.062 -4.356 17 HA THR 3 HA THR 3 -1.136 -1.883 -6.627 18 HB THR 3 HB THR 3 -1.543 -0.007 -5.504 19 HG1 THR 3 HG1 THR 3 -0.355 0.703 -3.692 20 1HG2 THR 3 HG21 THR 3 -2.496 -1.951 -4.108 21 2HG2 THR 3 HG22 THR 3 -1.037 -1.851 -3.065 22 3HG2 THR 3 HG23 THR 3 -2.169 -0.468 -3.148 23 H ASN 4 HN ASN 4 0.145 0.134 -7.547 24 HA ASN 4 HA ASN 4 3.017 -0.158 -7.519 25 1HB ASN 4 HB2 ASN 4 3.088 -0.184 -10.081 26 2HB ASN 4 HB3 ASN 4 2.600 -1.723 -9.324 27 1HD2 ASN 4 HD22 ASN 4 -0.665 -1.852 -10.742 28 2HD2 ASN 4 HD21 ASN 4 0.412 -2.492 -9.546 29 H VAL 5 HN VAL 5 1.526 1.685 -6.216 30 HA VAL 5 HA VAL 5 1.695 4.134 -7.828 31 HB VAL 5 HB VAL 5 1.066 4.246 -4.866 32 1HG1 VAL 5 HG11 VAL 5 -0.068 5.598 -7.414 33 2HG1 VAL 5 HG12 VAL 5 -0.514 5.984 -5.710 34 3HG1 VAL 5 HG13 VAL 5 1.147 6.330 -6.301 35 1HG2 VAL 5 HG21 VAL 5 -0.820 3.045 -6.977 36 2HG2 VAL 5 HG22 VAL 5 -0.190 2.289 -5.451 37 3HG2 VAL 5 HG23 VAL 5 -1.316 3.685 -5.366 38 H SER 6 HN SER 6 2.813 5.996 -6.180 39 HA SER 6 HA SER 6 5.431 4.932 -5.335 40 1HB SER 6 HB2 SER 6 6.239 7.341 -5.523 41 2HB SER 6 HB3 SER 6 5.903 6.457 -7.038 42 HG SER 6 HG SER 6 4.133 8.268 -5.760 43 H CYS 7 HN CYS 7 6.013 5.107 -3.271 44 HA CYS 7 HA CYS 7 4.047 6.355 -1.405 45 1HB CYS 7 HB2 CYS 7 4.552 4.972 0.295 46 2HB CYS 7 HB3 CYS 7 4.474 3.943 -1.126 47 H THR 8 HN THR 8 5.015 7.247 0.629 48 HA THR 8 HA THR 8 7.731 8.321 0.414 49 HB THR 8 HB THR 8 6.974 10.352 1.751 50 HG1 THR 8 HG1 THR 8 4.472 9.563 0.662 51 1HG2 THR 8 HG21 THR 8 7.678 10.414 -0.656 52 2HG2 THR 8 HG22 THR 8 5.974 10.108 -1.163 53 3HG2 THR 8 HG23 THR 8 6.394 11.621 -0.286 54 H THR 9 HN THR 9 4.854 7.590 2.465 55 HA THR 9 HA THR 9 6.615 6.492 4.557 56 HB THR 9 HB THR 9 4.828 7.283 6.200 57 HG1 THR 9 HG1 THR 9 3.616 9.045 5.501 58 1HG2 THR 9 HG23 THR 9 7.067 8.380 5.925 59 2HG2 THR 9 HG21 THR 9 6.376 9.473 4.667 60 3HG2 THR 9 HG22 THR 9 5.769 9.549 6.362 61 H SER 10 HN SER 10 5.711 4.781 5.756 62 HA SER 10 HA SER 10 3.559 3.219 4.547 63 1HB SER 10 HB2 SER 10 5.422 2.560 6.910 64 2HB SER 10 HB3 SER 10 4.195 1.454 6.165 65 HG SER 10 HG SER 10 5.352 1.619 4.243 66 H LYS 11 HN LYS 11 1.909 4.761 4.974 67 HA LYS 11 HA LYS 11 0.580 4.824 7.421 68 1HB LYS 11 HB2 LYS 11 2.514 6.320 8.078 69 2HB LYS 11 HB3 LYS 11 2.144 7.420 6.724 70 1HG LYS 11 HG2 LYS 11 -0.024 6.745 8.775 71 2HG LYS 11 HG3 LYS 11 1.354 7.784 9.276 72 1HD LYS 11 HD2 LYS 11 0.871 9.386 7.432 73 2HD LYS 11 HD3 LYS 11 -0.579 8.425 6.969 74 1HE LYS 11 HE2 LYS 11 -1.583 8.836 9.243 75 2HE LYS 11 HE3 LYS 11 -0.121 9.801 9.704 76 1HZ LYS 11 HZ1 LYS 11 -1.994 10.419 7.477 77 2HZ LYS 11 HZ2 LYS 11 -1.933 11.181 8.995 78 3HZ LYS 11 HZ3 LYS 11 -0.625 11.321 7.921 79 H GLU 12 HN GLU 12 1.522 6.470 4.376 80 HA GLU 12 HA GLU 12 -0.772 7.615 3.545 81 1HB GLU 12 HB2 GLU 12 1.793 7.677 2.962 82 2HB GLU 12 HB3 GLU 12 1.459 6.423 1.765 83 1HG GLU 12 HG2 GLU 12 -0.270 7.996 0.687 84 2HG GLU 12 HG3 GLU 12 0.157 9.215 1.953 85 1HN ABA 13 HN ABA 13 0.175 4.301 3.419 86 HA ABA 13 HA ABA 13 -1.088 3.609 0.931 87 1HB ABA 13 HB3 ABA 13 0.129 1.547 1.117 88 2HB ABA 13 HB2 ABA 13 0.467 1.809 2.870 89 1HG ABA 13 HG1 ABA 13 2.381 2.245 1.318 90 2HG ABA 13 HG2 ABA 13 1.529 3.677 0.645 91 3HG ABA 13 HG3 ABA 13 2.001 3.651 2.395 92 H TRP 14 HN TRP 14 -2.511 3.930 3.820 93 HA TRP 14 HA TRP 14 -4.073 1.508 4.025 94 1HB TRP 14 HB2 TRP 14 -3.707 4.128 5.525 95 2HB TRP 14 HB3 TRP 14 -5.287 3.290 5.747 96 HD1 TRP 14 HD1 TRP 14 -5.496 1.352 7.244 97 HE1 TRP 14 HE1 TRP 14 -3.924 -0.224 8.461 98 HE3 TRP 14 HE3 TRP 14 -1.057 3.089 5.449 99 HZ2 TRP 14 HZ2 TRP 14 -1.114 -0.456 8.976 100 HZ3 TRP 14 HZ3 TRP 14 1.033 2.053 6.242 101 HH2 TRP 14 HH2 TRP 14 1.017 0.335 8.003 102 H SER 15 HN SER 15 -4.475 4.717 2.455 103 HA SER 15 HA SER 15 -7.270 4.201 1.877 104 1HB SER 15 HB2 SER 15 -7.180 6.494 0.825 105 2HB SER 15 HB3 SER 15 -6.762 6.450 2.570 106 HG SER 15 HG SER 15 -5.361 7.732 1.376 107 H VAL 16 HN VAL 16 -4.294 3.179 0.632 108 HA VAL 16 HA VAL 16 -5.159 3.176 -2.150 109 HB VAL 16 HB VAL 16 -2.495 2.243 -1.002 110 1HG1 VAL 16 HG13 VAL 16 -3.466 3.049 -3.841 111 2HG1 VAL 16 HG11 VAL 16 -1.779 2.607 -3.389 112 3HG1 VAL 16 HG12 VAL 16 -3.075 1.372 -3.314 113 1HG2 VAL 16 HG23 VAL 16 -3.404 5.002 -2.059 114 2HG2 VAL 16 HG21 VAL 16 -2.800 4.622 -0.399 115 3HG2 VAL 16 HG22 VAL 16 -1.692 4.510 -1.804 116 H CYS 17 HN CYS 17 -4.812 0.976 0.711 117 HA CYS 17 HA CYS 17 -5.285 -1.388 -0.909 118 1HB CYS 17 HB2 CYS 17 -4.897 -0.779 2.070 119 2HB CYS 17 HB3 CYS 17 -5.449 -2.397 1.558 120 H GLN 18 HN GLN 18 -7.306 1.039 0.634 121 HA GLN 18 HA GLN 18 -9.622 -0.709 0.867 122 1HB GLN 18 HB2 GLN 18 -9.314 2.293 1.362 123 2HB GLN 18 HB3 GLN 18 -10.823 1.326 1.647 124 1HG GLN 18 HG2 GLN 18 -9.710 -0.065 3.307 125 2HG GLN 18 HG3 GLN 18 -8.148 0.781 3.016 126 1HE2 GLN 18 HE22 GLN 18 -10.532 2.245 5.867 127 2HE2 GLN 18 HE21 GLN 18 -10.470 0.610 5.299 128 H ARG 19 HN ARG 19 -8.310 1.815 -1.262 129 HA ARG 19 HA ARG 19 -10.681 2.102 -2.845 130 1HB ARG 19 HB2 ARG 19 -9.713 3.813 -3.999 131 2HB ARG 19 HB3 ARG 19 -9.071 3.930 -2.338 132 1HG ARG 19 HG2 ARG 19 -7.136 4.349 -3.452 133 2HG ARG 19 HG3 ARG 19 -7.000 2.568 -3.349 134 1HD ARG 19 HD2 ARG 19 -6.397 3.288 -5.631 135 2HD ARG 19 HD3 ARG 19 -8.003 2.440 -5.702 136 HE ARG 19 HE ARG 19 -8.005 5.434 -5.383 137 1HH1 ARG 19 HH22 ARG 19 -8.421 2.661 -7.609 138 2HH1 ARG 19 HH21 ARG 19 -9.241 3.593 -8.818 139 1HH2 ARG 19 HH12 ARG 19 -9.104 6.653 -7.016 140 2HH2 ARG 19 HH11 ARG 19 -9.634 5.886 -8.478 141 H LEU 20 HN LEU 20 -7.833 0.020 -3.037 142 HA LEU 20 HA LEU 20 -8.375 -0.822 -5.740 143 1HB LEU 20 HB2 LEU 20 -6.061 -0.375 -5.070 144 2HB LEU 20 HB3 LEU 20 -6.192 -1.553 -3.729 145 HG LEU 20 HG LEU 20 -6.505 -3.386 -5.324 146 1HD1 LEU 20 HD12 LEU 20 -6.066 -1.289 -7.565 147 2HD1 LEU 20 HD13 LEU 20 -6.083 -3.078 -7.801 148 3HD1 LEU 20 HD11 LEU 20 -7.578 -2.230 -7.277 149 1HD2 LEU 20 HD21 LEU 20 -4.254 -2.912 -4.574 150 2HD2 LEU 20 HD22 LEU 20 -4.206 -3.472 -6.283 151 3HD2 LEU 20 HD23 LEU 20 -3.997 -1.717 -5.910 152 H HIS 21 HN HIS 21 -8.310 -2.238 -2.358 153 HA HIS 21 HA HIS 21 -9.940 -4.495 -3.315 154 1HB HIS 21 HB2 HIS 21 -7.757 -4.408 -1.145 155 2HB HIS 21 HB3 HIS 21 -8.821 -5.821 -1.505 156 HD1 HIS 21 HD1 HIS 21 -8.459 -6.861 -4.014 157 HD2 HIS 21 HD2 HIS 21 -5.485 -4.201 -2.707 158 HE1 HIS 21 HE1 HIS 21 -6.384 -7.207 -5.466 159 H ASN 22 HN ASN 22 -9.339 -4.395 -0.037 160 HA ASN 22 HA ASN 22 -11.133 -2.595 1.018 161 1HB ASN 22 HB2 ASN 22 -13.044 -4.233 1.733 162 2HB ASN 22 HB3 ASN 22 -13.083 -3.560 0.092 163 1HD2 ASN 22 HD22 ASN 22 -13.294 -6.677 -1.495 164 2HD2 ASN 22 HD21 ASN 22 -13.554 -4.964 -1.511 165 H THR 23 HN THR 23 -8.761 -2.884 1.881 166 HA THR 23 HA THR 23 -8.993 -4.368 4.349 167 HB THR 23 HB THR 23 -7.989 -5.993 2.641 168 HG1 THR 23 HG1 THR 23 -6.504 -6.733 4.116 169 1HG2 THR 23 HG21 THR 23 -6.380 -4.365 1.532 170 2HG2 THR 23 HG22 THR 23 -5.437 -4.315 3.083 171 3HG2 THR 23 HG23 THR 23 -5.587 -5.850 2.178 172 H SER 24 HN SER 24 -6.721 -3.875 5.560 173 HA SER 24 HA SER 24 -5.959 -1.091 5.209 174 1HB SER 24 HB2 SER 24 -6.560 -0.526 7.612 175 2HB SER 24 HB3 SER 24 -7.949 -0.680 6.495 176 HG SER 24 HG SER 24 -8.284 -1.702 8.474 177 H ARG 25 HN ARG 25 -4.834 -3.788 4.831 178 HA ARG 25 HA ARG 25 -2.592 -3.697 6.739 179 1HB ARG 25 HB2 ARG 25 -4.065 -6.042 5.397 180 2HB ARG 25 HB3 ARG 25 -2.314 -6.165 5.789 181 1HG ARG 25 HG2 ARG 25 -3.614 -7.284 7.457 182 2HG ARG 25 HG3 ARG 25 -2.630 -5.941 8.122 183 1HD ARG 25 HD2 ARG 25 -4.853 -6.205 9.218 184 2HD ARG 25 HD3 ARG 25 -4.628 -4.561 8.501 185 HE ARG 25 HE ARG 25 -5.925 -5.857 6.440 186 1HH1 ARG 25 HH22 ARG 25 -6.621 -5.474 9.930 187 2HH1 ARG 25 HH21 ARG 25 -8.342 -5.454 9.724 188 1HH2 ARG 25 HH12 ARG 25 -8.263 -5.899 6.205 189 2HH2 ARG 25 HH11 ARG 25 -9.280 -5.699 7.594 190 H GLY 26 HN GLY 26 -0.988 -2.698 5.659 191 1HA GLY 26 HA1 GLY 26 -0.174 -3.223 3.052 192 2HA GLY 26 HA2 GLY 26 -1.267 -1.764 3.096 193 H LYS 27 HN LYS 27 1.791 -2.343 2.808 194 HA LYS 27 HA LYS 27 2.795 -0.185 4.463 195 1HB LYS 27 HB2 LYS 27 3.234 -2.003 5.964 196 2HB LYS 27 HB3 LYS 27 3.618 -3.137 4.640 197 1HG LYS 27 HG2 LYS 27 5.755 -2.095 4.224 198 2HG LYS 27 HG3 LYS 27 5.427 -0.776 5.414 199 1HD LYS 27 HD2 LYS 27 5.571 -3.777 6.116 200 2HD LYS 27 HD3 LYS 27 6.985 -2.666 6.155 201 1HE LYS 27 HE2 LYS 27 5.843 -1.227 7.877 202 2HE LYS 27 HE3 LYS 27 4.431 -2.361 7.880 203 1HZ LYS 27 HZ1 LYS 27 7.235 -3.076 8.554 204 2HZ LYS 27 HZ2 LYS 27 5.973 -2.797 9.659 205 3HZ LYS 27 HZ3 LYS 27 5.891 -4.112 8.588 206 H CYS 28 HN CYS 28 4.966 0.405 3.511 207 HA CYS 28 HA CYS 28 5.037 -0.152 0.605 208 1HB CYS 28 HB2 CYS 28 4.711 2.175 0.256 209 2HB CYS 28 HB3 CYS 28 4.298 2.224 1.955 210 H MET 29 HN MET 29 7.276 0.629 -0.269 211 HA MET 29 HA MET 29 9.301 -0.740 1.366 212 1HB MET 29 HB2 MET 29 8.422 -1.644 -0.932 213 2HB MET 29 HB3 MET 29 9.434 -0.380 -1.665 214 1HG MET 29 HG2 MET 29 11.372 -1.390 -0.194 215 2HG MET 29 HG3 MET 29 10.212 -2.695 0.227 216 1HE MET 29 HE3 MET 29 13.134 -2.955 -0.956 217 2HE MET 29 HE1 MET 29 12.083 -4.338 -0.496 218 3HE MET 29 HE2 MET 29 12.916 -4.331 -2.090 219 H ASN 30 HN ASN 30 11.065 0.589 -0.923 220 HA ASN 30 HA ASN 30 11.692 3.011 0.495 221 1HB ASN 30 HB2 ASN 30 13.605 3.154 -1.233 222 2HB ASN 30 HB3 ASN 30 13.602 1.832 -0.038 223 1HD2 ASN 30 HD22 ASN 30 13.706 -0.762 -2.395 224 2HD2 ASN 30 HD21 ASN 30 13.894 -0.217 -0.761 225 H LYS 31 HN LYS 31 10.132 2.205 -2.577 226 HA LYS 31 HA LYS 31 9.771 5.078 -3.177 227 1HB LYS 31 HB2 LYS 31 10.660 2.806 -5.026 228 2HB LYS 31 HB3 LYS 31 10.112 4.407 -5.627 229 1HG LYS 31 HG2 LYS 31 11.939 5.574 -4.571 230 2HG LYS 31 HG3 LYS 31 12.485 4.083 -3.736 231 1HD LYS 31 HD2 LYS 31 13.983 4.433 -5.514 232 2HD LYS 31 HD3 LYS 31 12.995 3.005 -5.954 233 1HE LYS 31 HE2 LYS 31 12.456 5.869 -7.032 234 2HE LYS 31 HE3 LYS 31 13.560 4.687 -7.840 235 1HZ LYS 31 HZ3 LYS 31 11.721 3.171 -8.060 236 2HZ LYS 31 HZ1 LYS 31 10.669 4.278 -7.315 237 3HZ LYS 31 HZ2 LYS 31 11.393 4.662 -8.803 238 H LYS 32 HN LYS 32 8.007 1.999 -2.765 239 HA LYS 32 HA LYS 32 5.902 3.064 -4.502 240 1HB LYS 32 HB2 LYS 32 5.524 1.172 -5.704 241 2HB LYS 32 HB3 LYS 32 7.269 1.520 -5.884 242 1HG LYS 32 HG2 LYS 32 7.747 -0.268 -4.114 243 2HG LYS 32 HG3 LYS 32 5.983 -0.672 -4.140 244 1HD LYS 32 HD2 LYS 32 6.109 -1.100 -6.584 245 2HD LYS 32 HD3 LYS 32 7.870 -0.753 -6.550 246 1HE LYS 32 HE2 LYS 32 7.496 -3.220 -6.531 247 2HE LYS 32 HE3 LYS 32 8.214 -2.703 -4.951 248 1HZ LYS 32 HZ3 LYS 32 5.992 -2.728 -4.015 249 2HZ LYS 32 HZ1 LYS 32 5.339 -3.246 -5.495 250 3HZ LYS 32 HZ2 LYS 32 6.424 -4.243 -4.650 251 1HN ABA 33 HN ABA 33 3.810 2.140 -4.100 252 HA ABA 33 HA ABA 33 3.357 1.564 -1.293 253 1HB ABA 33 HB3 ABA 33 1.596 2.327 -3.697 254 2HB ABA 33 HB2 ABA 33 2.209 3.413 -2.407 255 1HG ABA 33 HG1 ABA 33 0.995 2.005 -0.717 256 2HG ABA 33 HG2 ABA 33 -0.040 2.994 -1.812 257 3HG ABA 33 HG3 ABA 33 0.100 1.204 -2.043 258 H ARG 34 HN ARG 34 2.298 -0.374 -0.637 259 HA ARG 34 HA ARG 34 1.821 -2.429 -2.656 260 1HB ARG 34 HB2 ARG 34 4.267 -2.478 -1.512 261 2HB ARG 34 HB3 ARG 34 3.389 -3.313 -0.204 262 1HG ARG 34 HG2 ARG 34 2.528 -4.962 -1.969 263 2HG ARG 34 HG3 ARG 34 3.474 -4.056 -3.203 264 1HD ARG 34 HD2 ARG 34 5.598 -4.592 -1.913 265 2HD ARG 34 HD3 ARG 34 4.601 -5.550 -0.739 266 HE ARG 34 HE ARG 34 4.663 -6.125 -3.741 267 1HH1 ARG 34 HH12 ARG 34 4.984 -7.349 -0.390 268 2HH1 ARG 34 HH11 ARG 34 5.210 -8.993 -0.887 269 1HH2 ARG 34 HH22 ARG 34 4.973 -8.319 -4.367 270 2HH2 ARG 34 HH21 ARG 34 5.204 -9.551 -3.170 271 H CYS 35 HN CYS 35 1.039 -4.472 -1.075 272 HA CYS 35 HA CYS 35 -0.759 -3.536 0.944 273 1HB CYS 35 HB2 CYS 35 -1.887 -3.430 -1.488 274 2HB CYS 35 HB3 CYS 35 -2.005 -5.196 -1.326 275 H TYR 36 HN TYR 36 -1.543 -5.478 2.129 276 HA TYR 36 HA TYR 36 0.244 -7.803 1.868 277 1HB TYR 36 HB2 TYR 36 0.325 -5.597 3.978 278 2HB TYR 36 HB3 TYR 36 0.754 -7.275 4.502 279 HD1 TYR 36 HD2 TYR 36 2.406 -8.521 2.730 280 HD2 TYR 36 HD1 TYR 36 2.107 -4.288 3.342 281 HE1 TYR 36 HE2 TYR 36 4.708 -8.232 1.877 282 HE2 TYR 36 HE1 TYR 36 4.386 -3.979 2.490 283 HH TYR 36 HH TYR 36 6.369 -6.790 1.410 284 H SER 37 HN SER 37 -2.045 -8.353 1.160 285 HA SER 37 HA SER 37 -3.959 -8.773 3.270 286 1HB SER 37 HB2 SER 37 -3.887 -9.816 0.381 287 2HB SER 37 HB3 SER 37 -5.281 -9.955 1.523 288 HG SER 37 HG SER 37 -5.297 -7.685 1.616 No H/Q in entry = 288 Start of MODEL 29 1 HA PCA 1 HA PGL 1 -3.873 -8.306 -4.680 2 1HB PCA 1 HB2 PGL 1 -1.184 -9.462 -5.628 3 2HB PCA 1 HB3 PGL 1 -2.440 -10.229 -4.580 4 1HG PCA 1 HG2 PGL 1 -2.134 -10.728 -7.335 5 2HG PCA 1 HG3 PGL 1 -3.752 -10.821 -6.501 6 HN PCA 1 HN PGL 1 -3.688 -6.936 -6.843 7 H PHE 2 HN PHE 2 -1.301 -6.683 -6.536 8 HA PHE 2 HA PHE 2 -0.413 -5.160 -4.179 9 1HB PHE 2 HB2 PHE 2 1.252 -6.007 -6.658 10 2HB PHE 2 HB3 PHE 2 1.847 -5.098 -5.218 11 HD1 PHE 2 HD1 PHE 2 1.347 -6.345 -2.870 12 HD2 PHE 2 HD2 PHE 2 1.636 -8.276 -6.702 13 HE1 PHE 2 HE1 PHE 2 1.814 -8.502 -1.753 14 HE2 PHE 2 HE2 PHE 2 2.109 -10.428 -5.583 15 HZ PHE 2 HZ PHE 2 2.190 -10.548 -3.106 16 H THR 3 HN THR 3 0.411 -2.965 -4.877 17 HA THR 3 HA THR 3 -1.176 -1.837 -7.086 18 HB THR 3 HB THR 3 -0.948 0.310 -5.900 19 HG1 THR 3 HG1 THR 3 -0.100 0.332 -3.876 20 1HG2 THR 3 HG23 THR 3 -2.092 -1.969 -4.144 21 2HG2 THR 3 HG21 THR 3 -2.340 -0.211 -3.880 22 3HG2 THR 3 HG22 THR 3 -2.946 -0.969 -5.384 23 H ASN 4 HN ASN 4 0.187 0.469 -7.641 24 HA ASN 4 HA ASN 4 3.011 0.129 -7.809 25 1HB ASN 4 HB2 ASN 4 2.964 0.466 -10.399 26 2HB ASN 4 HB3 ASN 4 2.652 -1.176 -9.779 27 1HD2 ASN 4 HD22 ASN 4 -0.335 0.857 -11.821 28 2HD2 ASN 4 HD21 ASN 4 1.087 1.690 -11.283 29 H VAL 5 HN VAL 5 1.700 1.826 -6.245 30 HA VAL 5 HA VAL 5 1.604 4.435 -7.597 31 HB VAL 5 HB VAL 5 0.958 4.047 -4.653 32 1HG1 VAL 5 HG13 VAL 5 0.951 6.377 -5.763 33 2HG1 VAL 5 HG11 VAL 5 -0.266 5.757 -6.938 34 3HG1 VAL 5 HG12 VAL 5 -0.665 5.850 -5.182 35 1HG2 VAL 5 HG22 VAL 5 -0.759 3.117 -7.026 36 2HG2 VAL 5 HG23 VAL 5 -0.229 2.204 -5.545 37 3HG2 VAL 5 HG21 VAL 5 -1.416 3.550 -5.414 38 H SER 6 HN SER 6 2.536 6.103 -5.572 39 HA SER 6 HA SER 6 5.284 5.203 -4.993 40 1HB SER 6 HB2 SER 6 5.852 7.693 -4.871 41 2HB SER 6 HB3 SER 6 5.522 6.985 -6.478 42 HG SER 6 HG SER 6 3.374 7.779 -6.278 43 H CYS 7 HN CYS 7 5.923 5.084 -2.987 44 HA CYS 7 HA CYS 7 4.369 6.422 -0.806 45 1HB CYS 7 HB2 CYS 7 3.281 4.412 -0.865 46 2HB CYS 7 HB3 CYS 7 4.747 3.456 -1.014 47 H THR 8 HN THR 8 5.528 6.848 1.003 48 HA THR 8 HA THR 8 8.377 6.176 1.170 49 HB THR 8 HB THR 8 8.803 8.459 2.216 50 HG1 THR 8 HG1 THR 8 6.619 9.075 2.385 51 1HG2 THR 8 HG23 THR 8 9.628 7.748 -0.040 52 2HG2 THR 8 HG21 THR 8 8.117 8.372 -0.797 53 3HG2 THR 8 HG22 THR 8 9.243 9.507 0.031 54 H THR 9 HN THR 9 5.392 7.390 2.812 55 HA THR 9 HA THR 9 6.284 6.220 5.360 56 HB THR 9 HB THR 9 4.495 7.705 6.351 57 HG1 THR 9 HG1 THR 9 3.416 8.108 4.353 58 1HG2 THR 9 HG23 THR 9 6.954 8.210 6.372 59 2HG2 THR 9 HG21 THR 9 6.776 9.110 4.820 60 3HG2 THR 9 HG22 THR 9 5.926 9.693 6.297 61 H SER 10 HN SER 10 5.125 4.657 6.369 62 HA SER 10 HA SER 10 3.028 3.299 4.902 63 1HB SER 10 HB2 SER 10 3.408 1.471 6.618 64 2HB SER 10 HB3 SER 10 4.822 1.898 5.602 65 HG SER 10 HG SER 10 4.353 2.847 8.224 66 H LYS 11 HN LYS 11 1.549 5.090 5.220 67 HA LYS 11 HA LYS 11 -0.364 4.765 7.201 68 1HB LYS 11 HB2 LYS 11 -0.193 6.953 8.399 69 2HB LYS 11 HB3 LYS 11 1.178 5.862 8.727 70 1HG LYS 11 HG2 LYS 11 2.469 7.190 6.866 71 2HG LYS 11 HG3 LYS 11 1.161 8.407 7.024 72 1HD LYS 11 HD2 LYS 11 2.981 9.132 8.389 73 2HD LYS 11 HD3 LYS 11 1.712 8.548 9.523 74 1HE LYS 11 HE2 LYS 11 3.001 6.391 9.833 75 2HE LYS 11 HE3 LYS 11 4.220 6.946 8.619 76 1HZ LYS 11 HZ1 LYS 11 4.690 8.823 10.084 77 2HZ LYS 11 HZ2 LYS 11 3.609 8.207 11.240 78 3HZ LYS 11 HZ3 LYS 11 4.994 7.320 10.812 79 H GLU 12 HN GLU 12 1.278 6.845 4.752 80 HA GLU 12 HA GLU 12 -0.723 8.357 3.819 81 1HB GLU 12 HB2 GLU 12 1.835 8.261 3.574 82 2HB GLU 12 HB3 GLU 12 1.631 7.158 2.207 83 1HG GLU 12 HG2 GLU 12 0.377 9.981 2.434 84 2HG GLU 12 HG3 GLU 12 2.015 9.669 1.751 85 1HN ABA 13 HN ABA 13 0.197 5.069 2.758 86 HA ABA 13 HA ABA 13 -1.670 5.106 0.485 87 1HB ABA 13 HB3 ABA 13 0.695 4.896 -0.030 88 2HB ABA 13 HB2 ABA 13 -0.190 3.424 -0.468 89 1HG ABA 13 HG1 ABA 13 0.743 2.279 1.618 90 2HG ABA 13 HG2 ABA 13 2.007 2.971 0.527 91 3HG ABA 13 HG3 ABA 13 1.573 3.842 2.041 92 H TRP 14 HN TRP 14 -2.462 4.516 3.343 93 HA TRP 14 HA TRP 14 -3.218 1.723 3.296 94 1HB TRP 14 HB2 TRP 14 -3.477 3.977 5.359 95 2HB TRP 14 HB3 TRP 14 -4.250 2.371 5.604 96 HD1 TRP 14 HD1 TRP 14 -0.532 2.959 4.317 97 HE1 TRP 14 HE1 TRP 14 0.875 1.282 5.564 98 HE3 TRP 14 HE3 TRP 14 -4.013 1.442 7.749 99 HZ2 TRP 14 HZ2 TRP 14 0.621 -0.441 7.833 100 HZ3 TRP 14 HZ3 TRP 14 -3.375 -0.285 9.399 101 HH2 TRP 14 HH2 TRP 14 -1.099 -1.250 9.399 102 H SER 15 HN SER 15 -4.693 4.762 2.289 103 HA SER 15 HA SER 15 -7.362 3.655 2.171 104 1HB SER 15 HB2 SER 15 -7.961 5.951 1.290 105 2HB SER 15 HB3 SER 15 -7.263 5.930 2.939 106 HG SER 15 HG SER 15 -6.385 7.547 1.658 107 H VAL 16 HN VAL 16 -4.561 3.289 0.437 108 HA VAL 16 HA VAL 16 -5.712 3.295 -2.250 109 HB VAL 16 HB VAL 16 -2.879 2.740 -1.236 110 1HG1 VAL 16 HG12 VAL 16 -3.951 3.196 -4.108 111 2HG1 VAL 16 HG13 VAL 16 -2.220 3.095 -3.603 112 3HG1 VAL 16 HG11 VAL 16 -3.269 1.651 -3.469 113 1HG2 VAL 16 HG23 VAL 16 -4.163 5.263 -2.484 114 2HG2 VAL 16 HG21 VAL 16 -3.596 5.094 -0.779 115 3HG2 VAL 16 HG22 VAL 16 -2.411 5.035 -2.127 116 H CYS 17 HN CYS 17 -4.584 1.030 0.317 117 HA CYS 17 HA CYS 17 -5.227 -1.339 -1.218 118 1HB CYS 17 HB2 CYS 17 -4.251 -0.680 1.601 119 2HB CYS 17 HB3 CYS 17 -4.891 -2.314 1.292 120 H GLN 18 HN GLN 18 -7.126 0.964 0.618 121 HA GLN 18 HA GLN 18 -9.212 -0.861 1.326 122 1HB GLN 18 HB2 GLN 18 -8.315 1.049 2.729 123 2HB GLN 18 HB3 GLN 18 -9.024 2.203 1.560 124 1HG GLN 18 HG2 GLN 18 -11.305 1.244 2.037 125 2HG GLN 18 HG3 GLN 18 -10.543 0.021 3.124 126 1HE2 GLN 18 HE22 GLN 18 -11.435 3.752 4.552 127 2HE2 GLN 18 HE21 GLN 18 -11.969 3.154 3.015 128 H ARG 19 HN ARG 19 -8.431 1.581 -1.163 129 HA ARG 19 HA ARG 19 -11.071 1.603 -2.325 130 1HB ARG 19 HB2 ARG 19 -8.477 3.089 -2.762 131 2HB ARG 19 HB3 ARG 19 -9.686 3.134 -4.078 132 1HG ARG 19 HG2 ARG 19 -10.700 3.750 -1.296 133 2HG ARG 19 HG3 ARG 19 -9.637 4.951 -2.101 134 1HD ARG 19 HD2 ARG 19 -12.087 5.410 -2.506 135 2HD ARG 19 HD3 ARG 19 -11.116 5.180 -4.009 136 HE ARG 19 HE ARG 19 -11.984 2.885 -4.228 137 1HH1 ARG 19 HH12 ARG 19 -13.869 4.984 -2.019 138 2HH1 ARG 19 HH11 ARG 19 -15.325 4.064 -2.205 139 1HH2 ARG 19 HH22 ARG 19 -13.935 1.695 -4.454 140 2HH2 ARG 19 HH21 ARG 19 -15.365 2.175 -3.603 141 H LEU 20 HN LEU 20 -8.034 -0.188 -2.871 142 HA LEU 20 HA LEU 20 -8.838 -0.993 -5.527 143 1HB LEU 20 HB2 LEU 20 -6.496 -0.396 -5.165 144 2HB LEU 20 HB3 LEU 20 -6.355 -1.613 -3.866 145 HG LEU 20 HG LEU 20 -6.763 -3.432 -5.448 146 1HD1 LEU 20 HD12 LEU 20 -6.870 -1.287 -7.681 147 2HD1 LEU 20 HD13 LEU 20 -6.778 -3.064 -7.955 148 3HD1 LEU 20 HD11 LEU 20 -8.231 -2.355 -7.177 149 1HD2 LEU 20 HD23 LEU 20 -4.430 -2.693 -5.080 150 2HD2 LEU 20 HD21 LEU 20 -4.669 -3.398 -6.721 151 3HD2 LEU 20 HD22 LEU 20 -4.551 -1.611 -6.529 152 H HIS 21 HN HIS 21 -8.351 -2.450 -2.195 153 HA HIS 21 HA HIS 21 -9.744 -4.873 -3.103 154 1HB HIS 21 HB2 HIS 21 -7.533 -4.493 -0.997 155 2HB HIS 21 HB3 HIS 21 -8.405 -6.035 -1.335 156 HD1 HIS 21 HD1 HIS 21 -7.974 -7.026 -3.848 157 HD2 HIS 21 HD2 HIS 21 -5.373 -3.949 -2.664 158 HE1 HIS 21 HE1 HIS 21 -5.935 -7.063 -5.389 159 H ASN 22 HN ASN 22 -9.123 -4.742 0.141 160 HA ASN 22 HA ASN 22 -11.191 -3.192 1.190 161 1HB ASN 22 HB2 ASN 22 -12.830 -5.003 1.929 162 2HB ASN 22 HB3 ASN 22 -12.899 -4.593 0.205 163 1HD2 ASN 22 HD22 ASN 22 -11.962 -7.810 -1.020 164 2HD2 ASN 22 HD21 ASN 22 -12.125 -6.127 -1.401 165 H THR 23 HN THR 23 -8.765 -3.077 1.971 166 HA THR 23 HA THR 23 -8.712 -4.435 4.521 167 HB THR 23 HB THR 23 -7.501 -5.919 2.816 168 HG1 THR 23 HG1 THR 23 -5.915 -6.388 4.235 169 1HG2 THR 23 HG21 THR 23 -6.286 -4.066 1.565 170 2HG2 THR 23 HG22 THR 23 -5.267 -3.802 3.039 171 3HG2 THR 23 HG23 THR 23 -5.207 -5.369 2.177 172 H SER 24 HN SER 24 -6.325 -3.422 5.416 173 HA SER 24 HA SER 24 -6.304 -0.565 4.779 174 1HB SER 24 HB2 SER 24 -6.315 0.166 7.138 175 2HB SER 24 HB3 SER 24 -7.869 -0.575 6.634 176 HG SER 24 HG SER 24 -5.829 -1.696 8.235 177 H ARG 25 HN ARG 25 -4.710 -3.542 5.886 178 HA ARG 25 HA ARG 25 -2.234 -2.156 6.451 179 1HB ARG 25 HB2 ARG 25 -1.462 -4.624 6.938 180 2HB ARG 25 HB3 ARG 25 -2.437 -3.706 8.099 181 1HG ARG 25 HG2 ARG 25 -3.891 -5.504 6.108 182 2HG ARG 25 HG3 ARG 25 -3.023 -6.214 7.500 183 1HD ARG 25 HD2 ARG 25 -4.629 -5.685 8.975 184 2HD ARG 25 HD3 ARG 25 -4.550 -3.929 8.494 185 HE ARG 25 HE ARG 25 -5.994 -5.030 6.418 186 1HH1 ARG 25 HH22 ARG 25 -6.395 -5.133 9.972 187 2HH1 ARG 25 HH21 ARG 25 -8.127 -5.127 9.910 188 1HH2 ARG 25 HH12 ARG 25 -8.319 -5.034 6.362 189 2HH2 ARG 25 HH11 ARG 25 -9.233 -5.071 7.833 190 H GLY 26 HN GLY 26 -0.691 -2.000 5.124 191 1HA GLY 26 HA1 GLY 26 0.137 -3.285 2.895 192 2HA GLY 26 HA2 GLY 26 -1.289 -2.281 2.380 193 H LYS 27 HN LYS 27 2.026 -2.311 2.967 194 HA LYS 27 HA LYS 27 2.273 0.476 3.851 195 1HB LYS 27 HB2 LYS 27 4.274 -1.858 4.157 196 2HB LYS 27 HB3 LYS 27 4.385 -0.213 4.885 197 1HG LYS 27 HG2 LYS 27 2.278 -0.769 6.209 198 2HG LYS 27 HG3 LYS 27 2.361 -2.432 5.513 199 1HD LYS 27 HD2 LYS 27 4.689 -2.677 6.493 200 2HD LYS 27 HD3 LYS 27 4.503 -1.062 7.254 201 1HE LYS 27 HE2 LYS 27 4.035 -2.843 8.914 202 2HE LYS 27 HE3 LYS 27 2.509 -1.929 8.569 203 1HZ LYS 27 HZ3 LYS 27 3.300 -4.535 7.373 204 2HZ LYS 27 HZ1 LYS 27 2.177 -4.301 8.627 205 3HZ LYS 27 HZ2 LYS 27 1.859 -3.687 7.074 206 H CYS 28 HN CYS 28 5.273 -0.094 3.148 207 HA CYS 28 HA CYS 28 5.271 -0.482 0.321 208 1HB CYS 28 HB2 CYS 28 6.317 1.830 -0.204 209 2HB CYS 28 HB3 CYS 28 4.586 1.741 0.163 210 H MET 29 HN MET 29 7.529 -0.015 -0.580 211 HA MET 29 HA MET 29 9.540 -1.102 1.210 212 1HB MET 29 HB2 MET 29 8.833 -2.168 -1.032 213 2HB MET 29 HB3 MET 29 9.712 -0.840 -1.826 214 1HG MET 29 HG2 MET 29 11.768 -1.569 -0.415 215 2HG MET 29 HG3 MET 29 10.767 -2.920 0.205 216 1HE MET 29 HE2 MET 29 13.645 -2.960 -1.177 217 2HE MET 29 HE3 MET 29 12.822 -4.399 -0.480 218 3HE MET 29 HE1 MET 29 13.527 -4.477 -2.131 219 H ASN 30 HN ASN 30 11.113 0.401 -1.258 220 HA ASN 30 HA ASN 30 11.855 2.665 0.350 221 1HB ASN 30 HB2 ASN 30 13.616 3.057 -1.413 222 2HB ASN 30 HB3 ASN 30 13.685 1.512 -0.527 223 1HD2 ASN 30 HD22 ASN 30 13.166 -0.613 -3.329 224 2HD2 ASN 30 HD21 ASN 30 13.172 -0.493 -1.602 225 H LYS 31 HN LYS 31 10.110 2.197 -2.690 226 HA LYS 31 HA LYS 31 9.605 5.114 -2.871 227 1HB LYS 31 HB2 LYS 31 10.686 3.257 -5.043 228 2HB LYS 31 HB3 LYS 31 10.022 4.882 -5.389 229 1HG LYS 31 HG2 LYS 31 11.746 6.002 -4.080 230 2HG LYS 31 HG3 LYS 31 12.417 4.423 -3.558 231 1HD LYS 31 HD2 LYS 31 13.867 5.123 -5.218 232 2HD LYS 31 HD3 LYS 31 12.865 3.855 -5.999 233 1HE LYS 31 HE2 LYS 31 12.406 6.920 -6.314 234 2HE LYS 31 HE3 LYS 31 13.423 5.928 -7.433 235 1HZ LYS 31 HZ3 LYS 31 11.488 4.597 -7.938 236 2HZ LYS 31 HZ1 LYS 31 10.524 5.553 -6.917 237 3HZ LYS 31 HZ2 LYS 31 11.241 6.239 -8.297 238 H LYS 32 HN LYS 32 7.997 1.955 -2.987 239 HA LYS 32 HA LYS 32 5.823 3.212 -4.499 240 1HB LYS 32 HB2 LYS 32 5.500 1.491 -5.983 241 2HB LYS 32 HB3 LYS 32 7.211 1.987 -6.162 242 1HG LYS 32 HG2 LYS 32 7.903 -0.006 -4.740 243 2HG LYS 32 HG3 LYS 32 6.176 -0.529 -4.698 244 1HD LYS 32 HD2 LYS 32 6.203 -0.396 -7.253 245 2HD LYS 32 HD3 LYS 32 7.998 -0.353 -7.132 246 1HE LYS 32 HE2 LYS 32 6.105 -2.581 -6.064 247 2HE LYS 32 HE3 LYS 32 7.205 -2.710 -7.497 248 1HZ LYS 32 HZ2 LYS 32 9.072 -2.405 -5.995 249 2HZ LYS 32 HZ3 LYS 32 8.020 -2.331 -4.662 250 3HZ LYS 32 HZ1 LYS 32 8.131 -3.757 -5.577 251 1HN ABA 33 HN ABA 33 3.753 2.241 -4.136 252 HA ABA 33 HA ABA 33 3.357 1.302 -1.491 253 1HB ABA 33 HB3 ABA 33 1.458 1.792 -3.817 254 2HB ABA 33 HB2 ABA 33 1.936 2.941 -2.528 255 1HG ABA 33 HG1 ABA 33 0.976 1.448 -0.787 256 2HG ABA 33 HG2 ABA 33 -0.256 2.047 -1.974 257 3HG ABA 33 HG3 ABA 33 0.328 0.348 -2.042 258 H ARG 34 HN ARG 34 2.681 -0.743 -0.824 259 HA ARG 34 HA ARG 34 2.296 -2.914 -2.761 260 1HB ARG 34 HB2 ARG 34 4.143 -2.857 -0.309 261 2HB ARG 34 HB3 ARG 34 3.381 -4.398 -0.834 262 1HG ARG 34 HG2 ARG 34 4.274 -4.124 -3.105 263 2HG ARG 34 HG3 ARG 34 5.234 -2.695 -2.582 264 1HD ARG 34 HD2 ARG 34 6.633 -4.008 -1.127 265 2HD ARG 34 HD3 ARG 34 5.460 -5.374 -1.061 266 HE ARG 34 HE ARG 34 7.433 -4.778 -3.228 267 1HH1 ARG 34 HH22 ARG 34 4.566 -6.687 -2.265 268 2HH1 ARG 34 HH21 ARG 34 4.793 -7.893 -3.489 269 1HH2 ARG 34 HH12 ARG 34 7.716 -6.410 -4.863 270 2HH2 ARG 34 HH11 ARG 34 6.603 -7.733 -4.978 271 H CYS 35 HN CYS 35 1.389 -4.818 -1.111 272 HA CYS 35 HA CYS 35 -0.524 -3.704 0.712 273 1HB CYS 35 HB2 CYS 35 -1.456 -3.828 -1.813 274 2HB CYS 35 HB3 CYS 35 -1.728 -5.537 -1.414 275 H TYR 36 HN TYR 36 -1.074 -5.152 2.200 276 HA TYR 36 HA TYR 36 0.518 -7.641 2.346 277 1HB TYR 36 HB2 TYR 36 0.700 -5.087 4.047 278 2HB TYR 36 HB3 TYR 36 1.253 -6.659 4.733 279 HD1 TYR 36 HD2 TYR 36 2.750 -8.002 2.660 280 HD2 TYR 36 HD1 TYR 36 2.508 -3.812 3.545 281 HE1 TYR 36 HE2 TYR 36 4.998 -7.668 1.702 282 HE2 TYR 36 HE1 TYR 36 4.759 -3.464 2.592 283 HH TYR 36 HH TYR 36 6.543 -4.423 1.623 284 H SER 37 HN SER 37 -1.834 -8.244 1.916 285 HA SER 37 HA SER 37 -3.022 -8.866 4.526 286 1HB SER 37 HB2 SER 37 -4.393 -7.030 3.489 287 2HB SER 37 HB3 SER 37 -4.598 -8.031 2.008 288 HG SER 37 HG SER 37 -6.327 -8.194 3.466 No H/Q in entry = 288 Start of MODEL 30 1 HA PCA 1 HA PGL 1 3.184 -7.137 -7.385 2 1HB PCA 1 HB2 PGL 1 3.442 -6.204 -4.480 3 2HB PCA 1 HB3 PGL 1 4.349 -7.507 -5.331 4 1HG PCA 1 HG2 PGL 1 5.340 -4.907 -4.824 5 2HG PCA 1 HG3 PGL 1 5.894 -5.919 -6.233 6 HN PCA 1 HN PGL 1 2.544 -4.703 -7.842 7 H PHE 2 HN PHE 2 1.443 -4.620 -5.548 8 HA PHE 2 HA PHE 2 -1.064 -6.115 -5.703 9 1HB PHE 2 HB2 PHE 2 0.150 -4.648 -3.304 10 2HB PHE 2 HB3 PHE 2 -1.637 -4.648 -3.517 11 HD1 PHE 2 HD1 PHE 2 1.324 -6.881 -2.974 12 HD2 PHE 2 HD2 PHE 2 -2.959 -6.555 -3.171 13 HE1 PHE 2 HE1 PHE 2 1.103 -9.102 -1.913 14 HE2 PHE 2 HE2 PHE 2 -3.178 -8.776 -2.112 15 HZ PHE 2 HZ PHE 2 -1.147 -10.054 -1.472 16 H THR 3 HN THR 3 0.772 -3.237 -5.639 17 HA THR 3 HA THR 3 -1.156 -1.671 -7.196 18 HB THR 3 HB THR 3 -0.641 0.305 -5.558 19 HG1 THR 3 HG1 THR 3 -0.021 -0.231 -3.585 20 1HG2 THR 3 HG22 THR 3 -2.422 -1.993 -4.519 21 2HG2 THR 3 HG23 THR 3 -2.477 -0.278 -4.005 22 3HG2 THR 3 HG21 THR 3 -2.882 -0.711 -5.716 23 H ASN 4 HN ASN 4 0.065 0.504 -7.817 24 HA ASN 4 HA ASN 4 2.940 0.294 -7.877 25 1HB ASN 4 HB2 ASN 4 2.997 0.617 -10.399 26 2HB ASN 4 HB3 ASN 4 2.504 -1.013 -9.875 27 1HD2 ASN 4 HD22 ASN 4 0.035 1.184 -12.286 28 2HD2 ASN 4 HD21 ASN 4 1.604 1.733 -11.803 29 H VAL 5 HN VAL 5 1.626 1.934 -6.278 30 HA VAL 5 HA VAL 5 1.508 4.568 -7.578 31 HB VAL 5 HB VAL 5 0.956 4.180 -4.614 32 1HG1 VAL 5 HG12 VAL 5 -0.283 5.889 -6.894 33 2HG1 VAL 5 HG13 VAL 5 -0.743 5.947 -5.152 34 3HG1 VAL 5 HG11 VAL 5 0.889 6.493 -5.663 35 1HG2 VAL 5 HG22 VAL 5 -0.886 3.244 -6.890 36 2HG2 VAL 5 HG23 VAL 5 -0.259 2.311 -5.461 37 3HG2 VAL 5 HG21 VAL 5 -1.429 3.657 -5.226 38 H SER 6 HN SER 6 2.536 6.223 -5.621 39 HA SER 6 HA SER 6 5.269 5.252 -5.093 40 1HB SER 6 HB2 SER 6 5.907 7.715 -4.955 41 2HB SER 6 HB3 SER 6 5.541 7.036 -6.567 42 HG SER 6 HG SER 6 4.576 9.044 -6.229 43 H CYS 7 HN CYS 7 5.917 5.065 -3.104 44 HA CYS 7 HA CYS 7 4.424 6.419 -0.896 45 1HB CYS 7 HB2 CYS 7 3.273 4.430 -1.026 46 2HB CYS 7 HB3 CYS 7 4.721 3.426 -1.093 47 H THR 8 HN THR 8 5.590 6.793 0.904 48 HA THR 8 HA THR 8 8.400 5.978 1.089 49 HB THR 8 HB THR 8 8.965 8.260 2.084 50 HG1 THR 8 HG1 THR 8 6.634 8.945 0.606 51 1HG2 THR 8 HG23 THR 8 9.773 7.409 -0.133 52 2HG2 THR 8 HG21 THR 8 8.319 8.112 -0.934 53 3HG2 THR 8 HG22 THR 8 9.516 9.191 -0.129 54 H THR 9 HN THR 9 5.490 7.392 2.684 55 HA THR 9 HA THR 9 6.279 6.248 5.273 56 HB THR 9 HB THR 9 4.415 7.776 6.152 57 HG1 THR 9 HG1 THR 9 3.993 9.539 4.807 58 1HG2 THR 9 HG22 THR 9 6.882 8.992 4.745 59 2HG2 THR 9 HG23 THR 9 5.910 9.764 6.058 60 3HG2 THR 9 HG21 THR 9 6.839 8.252 6.390 61 H SER 10 HN SER 10 5.189 4.575 6.139 62 HA SER 10 HA SER 10 3.024 3.331 4.674 63 1HB SER 10 HB2 SER 10 3.390 1.420 6.312 64 2HB SER 10 HB3 SER 10 4.775 1.836 5.255 65 HG SER 10 HG SER 10 5.632 3.048 6.972 66 H LYS 11 HN LYS 11 1.544 5.046 5.051 67 HA LYS 11 HA LYS 11 -0.339 4.595 7.023 68 1HB LYS 11 HB2 LYS 11 1.268 5.861 8.543 69 2HB LYS 11 HB3 LYS 11 1.135 7.278 7.460 70 1HG LYS 11 HG2 LYS 11 -1.337 7.393 7.965 71 2HG LYS 11 HG3 LYS 11 -1.202 5.880 8.929 72 1HD LYS 11 HD2 LYS 11 0.343 7.054 10.520 73 2HD LYS 11 HD3 LYS 11 0.167 8.566 9.555 74 1HE LYS 11 HE2 LYS 11 -2.319 8.567 10.034 75 2HE LYS 11 HE3 LYS 11 -2.121 7.054 11.009 76 1HZ LYS 11 HZ3 LYS 11 -0.645 8.265 12.474 77 2HZ LYS 11 HZ1 LYS 11 -0.848 9.683 11.560 78 3HZ LYS 11 HZ2 LYS 11 -2.172 9.001 12.376 79 H GLU 12 HN GLU 12 1.263 6.847 4.706 80 HA GLU 12 HA GLU 12 -0.728 8.344 3.774 81 1HB GLU 12 HB2 GLU 12 1.859 8.205 3.478 82 2HB GLU 12 HB3 GLU 12 1.573 7.233 2.037 83 1HG GLU 12 HG2 GLU 12 0.386 10.054 2.557 84 2HG GLU 12 HG3 GLU 12 1.980 9.765 1.772 85 1HN ABA 13 HN ABA 13 0.137 5.079 2.617 86 HA ABA 13 HA ABA 13 -1.756 5.181 0.367 87 1HB ABA 13 HB3 ABA 13 0.560 4.922 -0.236 88 2HB ABA 13 HB2 ABA 13 -0.334 3.431 -0.594 89 1HG ABA 13 HG1 ABA 13 1.511 3.954 1.833 90 2HG ABA 13 HG2 ABA 13 0.675 2.374 1.504 91 3HG ABA 13 HG3 ABA 13 1.895 3.027 0.337 92 H TRP 14 HN TRP 14 -2.602 4.650 3.182 93 HA TRP 14 HA TRP 14 -3.366 1.866 3.243 94 1HB TRP 14 HB2 TRP 14 -3.759 4.200 5.182 95 2HB TRP 14 HB3 TRP 14 -4.513 2.586 5.449 96 HD1 TRP 14 HD1 TRP 14 -0.779 2.968 4.205 97 HE1 TRP 14 HE1 TRP 14 0.590 1.550 5.750 98 HE3 TRP 14 HE3 TRP 14 -4.363 2.005 7.735 99 HZ2 TRP 14 HZ2 TRP 14 0.272 0.186 8.237 100 HZ3 TRP 14 HZ3 TRP 14 -3.754 0.592 9.676 101 HH2 TRP 14 HH2 TRP 14 -1.483 -0.377 9.863 102 H SER 15 HN SER 15 -4.825 4.918 2.129 103 HA SER 15 HA SER 15 -7.481 3.808 1.935 104 1HB SER 15 HB2 SER 15 -8.058 6.107 1.058 105 2HB SER 15 HB3 SER 15 -7.393 6.078 2.721 106 HG SER 15 HG SER 15 -5.912 6.649 0.376 107 H VAL 16 HN VAL 16 -4.698 3.275 0.348 108 HA VAL 16 HA VAL 16 -5.805 3.130 -2.378 109 HB VAL 16 HB VAL 16 -2.987 2.472 -1.373 110 1HG1 VAL 16 HG12 VAL 16 -3.687 1.326 -3.554 111 2HG1 VAL 16 HG13 VAL 16 -4.101 2.943 -4.223 112 3HG1 VAL 16 HG11 VAL 16 -2.401 2.550 -3.761 113 1HG2 VAL 16 HG22 VAL 16 -4.115 5.027 -2.696 114 2HG2 VAL 16 HG23 VAL 16 -3.484 4.893 -1.011 115 3HG2 VAL 16 HG21 VAL 16 -2.370 4.666 -2.404 116 H CYS 17 HN CYS 17 -4.522 1.038 0.291 117 HA CYS 17 HA CYS 17 -5.204 -1.431 -0.717 118 1HB CYS 17 HB2 CYS 17 -4.885 -0.300 2.088 119 2HB CYS 17 HB3 CYS 17 -5.380 -2.007 1.886 120 H GLN 18 HN GLN 18 -7.466 0.981 0.623 121 HA GLN 18 HA GLN 18 -9.615 -0.943 0.938 122 1HB GLN 18 HB2 GLN 18 -9.672 2.088 1.326 123 2HB GLN 18 HB3 GLN 18 -10.973 0.898 1.748 124 1HG GLN 18 HG2 GLN 18 -9.470 -0.225 3.348 125 2HG GLN 18 HG3 GLN 18 -8.167 0.978 3.004 126 1HE2 GLN 18 HE22 GLN 18 -10.045 3.755 4.542 127 2HE2 GLN 18 HE21 GLN 18 -9.100 3.411 3.131 128 H ARG 19 HN ARG 19 -8.582 1.622 -1.290 129 HA ARG 19 HA ARG 19 -11.003 1.813 -2.783 130 1HB ARG 19 HB2 ARG 19 -8.273 3.047 -2.813 131 2HB ARG 19 HB3 ARG 19 -9.115 3.115 -4.378 132 1HG ARG 19 HG2 ARG 19 -10.849 3.926 -2.072 133 2HG ARG 19 HG3 ARG 19 -9.416 4.969 -2.368 134 1HD ARG 19 HD2 ARG 19 -11.469 5.763 -3.618 135 2HD ARG 19 HD3 ARG 19 -10.037 5.392 -4.673 136 HE ARG 19 HE ARG 19 -11.962 3.138 -4.285 137 1HH1 ARG 19 HH12 ARG 19 -11.084 5.928 -6.347 138 2HH1 ARG 19 HH11 ARG 19 -11.810 5.263 -7.774 139 1HH2 ARG 19 HH22 ARG 19 -12.920 2.270 -6.214 140 2HH2 ARG 19 HH21 ARG 19 -12.863 3.164 -7.697 141 H LEU 20 HN LEU 20 -8.082 -0.111 -3.096 142 HA LEU 20 HA LEU 20 -8.630 -1.045 -5.802 143 1HB LEU 20 HB2 LEU 20 -6.377 -1.189 -3.779 144 2HB LEU 20 HB3 LEU 20 -6.449 -2.496 -5.000 145 HG LEU 20 HG LEU 20 -4.936 -0.677 -5.502 146 1HD1 LEU 20 HD13 LEU 20 -5.785 -2.220 -7.255 147 2HD1 LEU 20 HD11 LEU 20 -7.145 -1.089 -7.618 148 3HD1 LEU 20 HD12 LEU 20 -5.445 -0.590 -7.945 149 1HD2 LEU 20 HD21 LEU 20 -6.209 1.353 -4.792 150 2HD2 LEU 20 HD22 LEU 20 -5.645 1.479 -6.494 151 3HD2 LEU 20 HD23 LEU 20 -7.370 1.104 -6.150 152 H HIS 21 HN HIS 21 -7.928 -2.545 -2.587 153 HA HIS 21 HA HIS 21 -9.623 -4.842 -3.273 154 1HB HIS 21 HB2 HIS 21 -7.385 -4.528 -1.196 155 2HB HIS 21 HB3 HIS 21 -8.316 -6.038 -1.552 156 HD1 HIS 21 HD1 HIS 21 -7.956 -6.914 -4.169 157 HD2 HIS 21 HD2 HIS 21 -5.256 -3.992 -2.839 158 HE1 HIS 21 HE1 HIS 21 -5.982 -6.860 -5.793 159 H ASN 22 HN ASN 22 -8.899 -4.495 -0.005 160 HA ASN 22 HA ASN 22 -10.811 -2.862 1.057 161 1HB ASN 22 HB2 ASN 22 -12.634 -4.559 1.849 162 2HB ASN 22 HB3 ASN 22 -12.720 -3.931 0.194 163 1HD2 ASN 22 HD22 ASN 22 -13.256 -7.186 -0.993 164 2HD2 ASN 22 HD21 ASN 22 -13.813 -5.552 -0.826 165 H THR 23 HN THR 23 -8.434 -3.012 1.966 166 HA THR 23 HA THR 23 -8.698 -4.382 4.491 167 HB THR 23 HB THR 23 -7.603 -6.083 2.997 168 HG1 THR 23 HG1 THR 23 -6.129 -5.157 5.199 169 1HG2 THR 23 HG21 THR 23 -6.129 -4.526 1.663 170 2HG2 THR 23 HG22 THR 23 -5.150 -4.206 3.148 171 3HG2 THR 23 HG23 THR 23 -5.211 -5.855 2.456 172 H SER 24 HN SER 24 -6.406 -3.724 5.742 173 HA SER 24 HA SER 24 -5.927 -0.888 5.291 174 1HB SER 24 HB2 SER 24 -7.107 -1.981 7.935 175 2HB SER 24 HB3 SER 24 -6.477 -0.307 7.670 176 HG SER 24 HG SER 24 -8.720 -0.492 7.516 177 H ARG 25 HN ARG 25 -4.660 -3.771 5.318 178 HA ARG 25 HA ARG 25 -2.322 -3.070 6.990 179 1HB ARG 25 HB2 ARG 25 -3.132 -5.782 5.809 180 2HB ARG 25 HB3 ARG 25 -1.535 -5.398 6.540 181 1HG ARG 25 HG2 ARG 25 -2.580 -6.479 8.263 182 2HG ARG 25 HG3 ARG 25 -2.772 -4.755 8.692 183 1HD ARG 25 HD2 ARG 25 -4.864 -6.077 9.175 184 2HD ARG 25 HD3 ARG 25 -5.178 -4.836 7.916 185 HE ARG 25 HE ARG 25 -5.423 -6.495 6.267 186 1HH1 ARG 25 HH12 ARG 25 -4.204 -8.052 9.255 187 2HH1 ARG 25 HH11 ARG 25 -4.470 -9.661 8.665 188 1HH2 ARG 25 HH22 ARG 25 -5.788 -8.640 5.528 189 2HH2 ARG 25 HH21 ARG 25 -5.379 -9.999 6.523 190 H GLY 26 HN GLY 26 -0.739 -2.184 5.915 191 1HA GLY 26 HA1 GLY 26 -0.089 -2.698 3.189 192 2HA GLY 26 HA2 GLY 26 -0.940 -1.114 3.498 193 H LYS 27 HN LYS 27 1.969 -2.179 2.923 194 HA LYS 27 HA LYS 27 3.284 -0.118 4.431 195 1HB LYS 27 HB2 LYS 27 3.793 -1.829 6.000 196 2HB LYS 27 HB3 LYS 27 3.944 -3.088 4.740 197 1HG LYS 27 HG2 LYS 27 6.070 -2.237 4.000 198 2HG LYS 27 HG3 LYS 27 5.932 -0.769 5.050 199 1HD LYS 27 HD2 LYS 27 6.055 -2.229 7.075 200 2HD LYS 27 HD3 LYS 27 6.190 -3.684 6.017 201 1HE LYS 27 HE2 LYS 27 8.335 -2.778 5.041 202 2HE LYS 27 HE3 LYS 27 8.198 -1.319 6.101 203 1HZ LYS 27 HZ3 LYS 27 8.452 -4.135 7.023 204 2HZ LYS 27 HZ1 LYS 27 9.678 -2.959 7.000 205 3HZ LYS 27 HZ2 LYS 27 8.330 -2.759 8.014 206 H CYS 28 HN CYS 28 5.288 0.397 3.275 207 HA CYS 28 HA CYS 28 5.362 -0.582 0.478 208 1HB CYS 28 HB2 CYS 28 5.904 1.760 -0.247 209 2HB CYS 28 HB3 CYS 28 4.266 1.559 0.431 210 H MET 29 HN MET 29 7.506 0.118 -0.521 211 HA MET 29 HA MET 29 9.619 -0.833 1.259 212 1HB MET 29 HB2 MET 29 8.751 -1.915 -0.976 213 2HB MET 29 HB3 MET 29 9.868 -0.785 -1.770 214 1HG MET 29 HG2 MET 29 10.498 -2.816 0.484 215 2HG MET 29 HG3 MET 29 10.707 -3.134 -1.259 216 1HE MET 29 HE3 MET 29 13.044 -4.074 -0.702 217 2HE MET 29 HE1 MET 29 14.343 -3.183 0.163 218 3HE MET 29 HE2 MET 29 12.840 -3.646 1.033 219 H ASN 30 HN ASN 30 11.138 0.536 -1.311 220 HA ASN 30 HA ASN 30 11.918 2.863 0.162 221 1HB ASN 30 HB2 ASN 30 13.647 3.173 -1.572 222 2HB ASN 30 HB3 ASN 30 13.672 1.566 -0.793 223 1HD2 ASN 30 HD22 ASN 30 14.335 1.198 -4.470 224 2HD2 ASN 30 HD21 ASN 30 15.011 2.151 -3.189 225 H LYS 31 HN LYS 31 10.027 2.235 -2.750 226 HA LYS 31 HA LYS 31 9.650 5.129 -3.217 227 1HB LYS 31 HB2 LYS 31 10.518 2.963 -5.195 228 2HB LYS 31 HB3 LYS 31 9.938 4.582 -5.705 229 1HG LYS 31 HG2 LYS 31 11.765 5.715 -4.588 230 2HG LYS 31 HG3 LYS 31 12.377 4.171 -3.902 231 1HD LYS 31 HD2 LYS 31 12.792 3.264 -6.161 232 2HD LYS 31 HD3 LYS 31 12.225 4.810 -6.902 233 1HE LYS 31 HE2 LYS 31 14.099 6.054 -5.809 234 2HE LYS 31 HE3 LYS 31 14.634 4.543 -4.960 235 1HZ LYS 31 HZ1 LYS 31 14.542 4.937 -7.904 236 2HZ LYS 31 HZ2 LYS 31 15.926 5.025 -6.919 237 3HZ LYS 31 HZ3 LYS 31 15.090 3.553 -7.076 238 H LYS 32 HN LYS 32 7.910 1.986 -3.005 239 HA LYS 32 HA LYS 32 5.748 3.178 -4.549 240 1HB LYS 32 HB2 LYS 32 5.475 1.461 -6.074 241 2HB LYS 32 HB3 LYS 32 7.132 2.103 -6.244 242 1HG LYS 32 HG2 LYS 32 7.936 0.153 -4.741 243 2HG LYS 32 HG3 LYS 32 6.302 -0.586 -5.005 244 1HD LYS 32 HD2 LYS 32 6.651 -0.639 -7.418 245 2HD LYS 32 HD3 LYS 32 8.143 0.351 -7.259 246 1HE LYS 32 HE2 LYS 32 8.713 -2.062 -7.663 247 2HE LYS 32 HE3 LYS 32 9.311 -1.499 -6.049 248 1HZ LYS 32 HZ2 LYS 32 7.377 -2.514 -5.047 249 2HZ LYS 32 HZ3 LYS 32 6.845 -3.071 -6.563 250 3HZ LYS 32 HZ1 LYS 32 8.306 -3.643 -5.911 251 1HN ABA 33 HN ABA 33 3.711 2.129 -4.239 252 HA ABA 33 HA ABA 33 3.305 1.357 -1.551 253 1HB ABA 33 HB3 ABA 33 1.435 1.682 -3.956 254 2HB ABA 33 HB2 ABA 33 1.891 2.919 -2.730 255 1HG ABA 33 HG1 ABA 33 0.885 1.529 -0.930 256 2HG ABA 33 HG2 ABA 33 -0.310 2.107 -2.163 257 3HG ABA 33 HG3 ABA 33 0.225 0.387 -2.141 258 H ARG 34 HN ARG 34 2.587 -0.642 -0.764 259 HA ARG 34 HA ARG 34 1.941 -2.798 -2.628 260 1HB ARG 34 HB2 ARG 34 4.404 -2.965 -1.595 261 2HB ARG 34 HB3 ARG 34 3.557 -3.463 -0.104 262 1HG ARG 34 HG2 ARG 34 2.381 -5.268 -1.571 263 2HG ARG 34 HG3 ARG 34 3.484 -4.750 -2.896 264 1HD ARG 34 HD2 ARG 34 5.467 -5.397 -1.442 265 2HD ARG 34 HD3 ARG 34 4.292 -5.898 -0.138 266 HE ARG 34 HE ARG 34 3.719 -7.134 -2.750 267 1HH1 ARG 34 HH12 ARG 34 5.786 -7.441 0.152 268 2HH1 ARG 34 HH11 ARG 34 6.075 -9.133 -0.075 269 1HH2 ARG 34 HH22 ARG 34 4.108 -9.405 -3.026 270 2HH2 ARG 34 HH21 ARG 34 5.109 -10.264 -1.902 271 H CYS 35 HN CYS 35 0.801 -4.580 -1.136 272 HA CYS 35 HA CYS 35 -0.624 -3.407 1.089 273 1HB CYS 35 HB2 CYS 35 -1.943 -3.131 -1.199 274 2HB CYS 35 HB3 CYS 35 -2.192 -4.893 -1.106 275 H TYR 36 HN TYR 36 -1.532 -5.219 2.365 276 HA TYR 36 HA TYR 36 0.134 -7.650 2.167 277 1HB TYR 36 HB2 TYR 36 0.301 -5.267 4.049 278 2HB TYR 36 HB3 TYR 36 0.631 -6.887 4.789 279 HD1 TYR 36 HD1 TYR 36 2.262 -8.412 3.206 280 HD2 TYR 36 HD2 TYR 36 2.172 -4.126 3.386 281 HE1 TYR 36 HE1 TYR 36 4.635 -8.320 2.511 282 HE2 TYR 36 HE2 TYR 36 4.487 -4.013 2.678 283 HH TYR 36 HH TYR 36 6.409 -7.006 2.055 284 H SER 37 HN SER 37 -2.156 -8.248 1.551 285 HA SER 37 HA SER 37 -4.046 -8.432 3.727 286 1HB SER 37 HB2 SER 37 -5.477 -9.632 2.075 287 2HB SER 37 HB3 SER 37 -4.935 -8.014 1.496 288 HG SER 37 HG SER 37 -3.721 -10.496 0.855 No H/Q in entry = 288 No H/Q in entry = 288
Contact the webmaster for help, if required. Monday, May 6, 2024 3:02:59 AM GMT (wattos1)