NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2138 | 1bfy | 4182 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HN MET 1 -5.539 -0.831 9.412 2 2H MET 1 2HN MET 1 -6.438 0.580 9.287 3 3H MET 1 3HN MET 1 -5.240 0.262 8.258 4 HA MET 1 HA MET 1 -4.988 0.838 11.148 5 1HB MET 1 2HB MET 1 -3.067 2.398 10.197 6 2HB MET 1 3HB MET 1 -3.862 2.120 8.652 7 1HG MET 1 2HG MET 1 -5.966 2.903 9.748 8 2HG MET 1 3HG MET 1 -5.053 3.324 11.188 9 1HE MET 1 1HE MET 1 -3.394 5.303 11.414 10 2HE MET 1 2HE MET 1 -2.365 4.722 10.092 11 3HE MET 1 3HE MET 1 -2.943 6.392 10.099 12 H LYS 2 HN LYS 2 -2.330 0.992 11.390 13 HA LYS 2 HA LYS 2 -0.331 0.010 11.497 14 1HB LYS 2 2HB LYS 2 -1.652 -2.646 10.940 15 2HB LYS 2 3HB LYS 2 -0.133 -2.319 11.795 16 1HG LYS 2 2HG LYS 2 -1.545 -1.060 13.537 17 2HG LYS 2 3HG LYS 2 -2.972 -1.771 12.711 18 1HD LYS 2 2HD LYS 2 -1.462 -3.965 12.835 19 2HD LYS 2 3HD LYS 2 -0.729 -3.134 14.207 20 1HE LYS 2 2HE LYS 2 -3.717 -3.730 13.782 21 2HE LYS 2 3HE LYS 2 -2.633 -4.772 14.703 22 1HZ LYS 2 3HNZ LYS 2 -2.242 -2.961 16.225 23 2HZ LYS 2 1HNZ LYS 2 -3.256 -1.973 15.380 24 3HZ LYS 2 2HNZ LYS 2 -3.851 -3.308 16.144 25 H LYS 3 HN LYS 3 1.279 -1.457 10.301 26 HA LYS 3 HA LYS 3 1.279 -0.556 7.530 27 1HB LYS 3 2HB LYS 3 3.245 -2.169 9.173 28 2HB LYS 3 3HB LYS 3 3.536 -1.507 7.561 29 1HG LYS 3 2HG LYS 3 3.124 0.789 8.419 30 2HG LYS 3 3HG LYS 3 2.783 0.159 10.013 31 1HD LYS 3 2HD LYS 3 4.974 0.752 10.326 32 2HD LYS 3 3HD LYS 3 4.981 -0.993 10.032 33 1HE LYS 3 2HE LYS 3 5.567 -0.260 7.546 34 2HE LYS 3 3HE LYS 3 6.075 1.233 8.353 35 1HZ LYS 3 3HNZ LYS 3 7.274 -0.383 9.931 36 2HZ LYS 3 1HNZ LYS 3 7.090 -1.487 8.790 37 3HZ LYS 3 2HNZ LYS 3 7.961 -0.126 8.433 38 H TYR 4 HN TYR 4 2.026 -2.163 5.873 39 HA TYR 4 HA TYR 4 0.757 -4.825 6.187 40 1HB TYR 4 2HB TYR 4 -0.076 -2.656 4.259 41 2HB TYR 4 3HB TYR 4 -0.299 -4.338 3.826 42 HD1 TYR 4 HD1 TYR 4 -1.479 -1.673 6.116 43 HD2 TYR 4 HD2 TYR 4 -1.965 -5.703 4.765 44 HE1 TYR 4 HE1 TYR 4 -3.507 -1.892 7.511 45 HE2 TYR 4 HE2 TYR 4 -3.827 -6.037 6.417 46 HH TYR 4 HOH TYR 4 -4.537 -4.505 8.849 47 H THR 5 HN THR 5 1.596 -6.416 4.768 48 HA THR 5 HA THR 5 4.064 -5.848 3.356 49 HB THR 5 HB THR 5 3.845 -8.136 2.539 50 HG1 THR 5 HG1 THR 5 1.707 -8.330 2.072 51 1HG2 THR 5 2HG2 THR 5 4.562 -7.733 4.917 52 2HG2 THR 5 3HG2 THR 5 2.890 -8.033 5.436 53 3HG2 THR 5 1HG2 THR 5 3.811 -9.316 4.643 54 H CYS 6 HN CYN 6 4.339 -6.198 1.018 55 HA CYS 6 HA CYN 6 2.308 -5.095 -0.786 56 1HB CYS 6 2HB CYN 6 4.553 -4.729 -1.409 57 2HB CYS 6 3HB CYN 6 5.031 -6.391 -1.055 58 H THR 7 HN THR 7 3.849 -8.063 -1.559 59 HA THR 7 HA THR 7 1.949 -9.982 -0.671 60 HB THR 7 HB THR 7 0.522 -8.761 -2.363 61 HG1 THR 7 HG1 THR 7 0.034 -10.803 -1.888 62 1HG2 THR 7 3HG2 THR 7 2.305 -8.236 -4.049 63 2HG2 THR 7 1HG2 THR 7 2.363 -9.968 -4.465 64 3HG2 THR 7 2HG2 THR 7 0.879 -9.039 -4.712 65 H VAL 8 HN VAL 8 4.344 -8.980 -3.161 66 HA VAL 8 HA VAL 8 5.989 -11.268 -2.330 67 HB VAL 8 HB VAL 8 4.527 -12.099 -4.166 68 1HG1 VAL 8 1HG1 VAL 8 4.510 -9.991 -5.555 69 2HG1 VAL 8 2HG1 VAL 8 6.195 -10.330 -6.005 70 3HG1 VAL 8 3HG1 VAL 8 4.911 -11.464 -6.455 71 1HG2 VAL 8 1HG2 VAL 8 6.691 -13.148 -3.613 72 2HG2 VAL 8 2HG2 VAL 8 6.296 -13.284 -5.334 73 3HG2 VAL 8 3HG2 VAL 8 7.505 -12.103 -4.796 74 H CYS 9 HN CYN 9 5.921 -8.144 -4.209 75 HA CYS 9 HA CYN 9 8.644 -8.424 -4.938 76 1HB CYS 9 2HB CYN 9 8.560 -6.242 -5.739 77 2HB CYS 9 3HB CYN 9 6.961 -6.940 -6.019 78 H GLY 10 HN GLY 10 7.146 -6.777 -2.221 79 1HA GLY 10 2HA GLY 10 8.130 -7.070 0.005 80 2HA GLY 10 3HA GLY 10 9.741 -6.909 -0.701 81 H TYR 11 HN TYR 11 6.737 -4.962 -1.167 82 HA TYR 11 HA TYR 11 8.178 -2.562 -0.133 83 1HB TYR 11 2HB TYR 11 7.113 -2.974 -2.639 84 2HB TYR 11 3HB TYR 11 5.793 -2.142 -1.857 85 HD1 TYR 11 HD1 TYR 11 6.563 0.027 -0.431 86 HD2 TYR 11 HD2 TYR 11 8.845 -1.791 -3.610 87 HE1 TYR 11 HE1 TYR 11 7.840 2.126 -0.717 88 HE2 TYR 11 HE2 TYR 11 10.156 0.287 -3.854 89 HH TYR 11 HOH TYR 11 9.428 3.238 -1.969 90 H ILE 12 HN ILE 12 7.636 -2.891 2.062 91 HA ILE 12 HA ILE 12 4.941 -3.402 2.879 92 HB ILE 12 HB ILE 12 7.449 -2.537 4.289 93 1HG1 ILE 12 2HG1 ILE 12 5.409 -4.736 4.840 94 2HG1 ILE 12 3HG1 ILE 12 6.737 -4.930 3.690 95 1HG2 ILE 12 2HG2 ILE 12 4.674 -2.430 5.561 96 2HG2 ILE 12 3HG2 ILE 12 6.197 -2.402 6.460 97 3HG2 ILE 12 1HG2 ILE 12 5.805 -1.074 5.386 98 1HD1 ILE 12 1HD1 ILE 12 8.379 -4.567 5.499 99 2HD1 ILE 12 2HD1 ILE 12 7.053 -4.441 6.681 100 3HD1 ILE 12 3HD1 ILE 12 7.313 -5.953 5.805 101 H TYR 13 HN TYR 13 3.254 -2.118 3.030 102 HA TYR 13 HA TYR 13 3.421 0.747 2.310 103 1HB TYR 13 2HB TYR 13 1.644 -0.639 1.356 104 2HB TYR 13 3HB TYR 13 1.150 -1.147 2.975 105 HD1 TYR 13 HD1 TYR 13 -0.091 0.365 4.467 106 HD2 TYR 13 HD2 TYR 13 0.766 1.396 0.419 107 HE1 TYR 13 HE1 TYR 13 -1.611 2.312 4.608 108 HE2 TYR 13 HE2 TYR 13 -0.237 3.670 0.774 109 HH TYR 13 HOH TYR 13 -2.299 4.354 3.646 110 H ASN 14 HN ASN 14 3.155 2.381 3.829 111 HA ASN 14 HA ASN 14 2.531 1.626 6.631 112 1HB ASN 14 2HB ASN 14 4.946 2.202 6.354 113 2HB ASN 14 3HB ASN 14 4.473 3.780 5.737 114 1HD2 ASN 14 2HND ASN 14 5.184 4.184 9.354 115 2HD2 ASN 14 1HND ASN 14 5.877 4.347 7.747 116 HA PRO 15 HA PRO 15 -0.700 4.382 5.418 117 1HB PRO 15 2HB PRO 15 -2.246 4.307 7.745 118 2HB PRO 15 3HB PRO 15 -2.316 3.074 6.486 119 1HG PRO 15 2HG PRO 15 -0.882 2.970 9.108 120 2HG PRO 15 3HG PRO 15 -1.654 1.664 8.164 121 1HD PRO 15 2HD PRO 15 1.053 2.156 8.328 122 2HD PRO 15 3HD PRO 15 0.353 1.234 7.007 123 H GLU 16 HN GLU 16 0.986 4.738 8.549 124 HA GLU 16 HA GLU 16 0.050 7.386 9.028 125 1HB GLU 16 2HB GLU 16 2.568 5.923 9.897 126 2HB GLU 16 3HB GLU 16 2.023 7.487 10.487 127 1HG GLU 16 2HG GLU 16 -0.263 6.236 10.979 128 2HG GLU 16 3HG GLU 16 0.702 4.758 10.835 129 H ASP 17 HN ASP 17 2.470 6.063 6.911 130 HA ASP 17 HA ASP 17 3.661 8.726 6.262 131 1HB ASP 17 2HB ASP 17 4.194 5.912 5.272 132 2HB ASP 17 3HB ASP 17 5.048 7.345 4.707 133 H GLY 18 HN GLY 18 1.426 6.252 5.050 134 1HA GLY 18 2HA GLY 18 0.127 6.101 3.263 135 2HA GLY 18 3HA GLY 18 0.317 7.835 2.936 136 H ASP 19 HN ASP 19 0.487 7.299 0.713 137 HA ASP 19 HA ASP 19 3.254 6.921 -0.151 138 1HB ASP 19 2HB ASP 19 1.090 4.951 -0.730 139 2HB ASP 19 3HB ASP 19 1.887 5.531 -2.174 140 HA PRO 20 HA PRO 20 0.417 10.360 -1.578 141 1HB PRO 20 2HB PRO 20 2.083 12.506 -1.049 142 2HB PRO 20 3HB PRO 20 0.911 11.807 0.111 143 1HG PRO 20 2HG PRO 20 3.879 11.265 -0.110 144 2HG PRO 20 3HG PRO 20 2.922 11.560 1.373 145 1HD PRO 20 2HD PRO 20 3.597 9.052 0.619 146 2HD PRO 20 3HD PRO 20 1.981 9.383 1.297 147 H ASP 21 HN ASP 21 3.870 9.733 -2.199 148 HA ASP 21 HA ASP 21 4.231 11.313 -4.484 149 1HB ASP 21 2HB ASP 21 5.433 8.671 -3.503 150 2HB ASP 21 3HB ASP 21 6.019 9.553 -4.907 151 H ASN 22 HN ASN 22 2.567 8.310 -3.913 152 HA ASN 22 HA ASN 22 2.316 7.638 -6.791 153 1HB ASN 22 2HB ASN 22 1.593 6.028 -4.324 154 2HB ASN 22 3HB ASN 22 1.708 5.425 -5.972 155 1HD2 ASN 22 2HND ASN 22 5.038 5.786 -3.614 156 2HD2 ASN 22 1HND ASN 22 3.506 6.377 -3.075 157 H GLY 23 HN GLY 23 0.569 8.743 -4.035 158 1HA GLY 23 2HA GLY 23 -1.268 10.224 -4.862 159 2HA GLY 23 3HA GLY 23 -1.993 8.797 -5.609 160 H VAL 24 HN VAL 24 -0.547 8.105 -2.527 161 HA VAL 24 HA VAL 24 -3.273 7.969 -1.280 162 HB VAL 24 HB VAL 24 -0.772 6.302 -1.028 163 1HG1 VAL 24 1HG1 VAL 24 -3.365 6.193 0.529 164 2HG1 VAL 24 2HG1 VAL 24 -2.208 4.852 0.442 165 3HG1 VAL 24 3HG1 VAL 24 -1.714 6.387 1.178 166 1HG2 VAL 24 1HG2 VAL 24 -2.210 5.879 -3.037 167 2HG2 VAL 24 2HG2 VAL 24 -2.186 4.505 -1.916 168 3HG2 VAL 24 3HG2 VAL 24 -3.591 5.593 -1.964 169 H ASN 25 HN ASN 25 -3.536 9.596 0.141 170 HA ASN 25 HA ASN 25 -1.359 11.172 1.124 171 1HB ASN 25 2HB ASN 25 -4.331 10.982 1.732 172 2HB ASN 25 3HB ASN 25 -3.289 11.948 2.763 173 1HD2 ASN 25 2HND ASN 25 -3.793 13.191 -1.139 174 2HD2 ASN 25 1HND ASN 25 -4.038 11.502 -0.767 175 HA PRO 26 HA PRO 26 -0.249 8.944 4.841 176 1HB PRO 26 2HB PRO 26 0.090 11.008 6.682 177 2HB PRO 26 3HB PRO 26 1.303 10.426 5.524 178 1HG PRO 26 2HG PRO 26 -0.494 12.825 5.307 179 2HG PRO 26 3HG PRO 26 1.212 12.628 4.780 180 1HD PRO 26 2HD PRO 26 -0.949 12.528 3.058 181 2HD PRO 26 3HD PRO 26 0.558 11.610 2.771 182 H GLY 27 HN GLY 27 -1.189 8.187 6.643 183 1HA GLY 27 2HA GLY 27 -2.811 7.731 8.184 184 2HA GLY 27 3HA GLY 27 -3.609 9.279 7.851 185 H THR 28 HN THR 28 -2.949 7.160 4.991 186 HA THR 28 HA THR 28 -5.871 6.748 4.864 187 HB THR 28 HB THR 28 -3.612 6.258 2.885 188 HG1 THR 28 HG1 THR 28 -3.991 8.428 3.053 189 1HG2 THR 28 1HG2 THR 28 -6.633 6.033 2.681 190 2HG2 THR 28 2HG2 THR 28 -5.541 6.022 1.278 191 3HG2 THR 28 3HG2 THR 28 -5.427 4.736 2.497 192 H ASP 29 HN ASP 29 -6.579 5.006 5.779 193 HA ASP 29 HA ASP 29 -5.060 2.734 6.589 194 1HB ASP 29 2HB ASP 29 -7.430 3.463 7.287 195 2HB ASP 29 3HB ASP 29 -7.984 2.727 5.801 196 H PHE 30 HN PHE 30 -4.571 0.926 5.510 197 HA PHE 30 HA PHE 30 -4.284 0.704 2.732 198 1HB PHE 30 2HB PHE 30 -3.411 -0.716 4.751 199 2HB PHE 30 3HB PHE 30 -4.860 -1.689 4.514 200 HD1 PHE 30 HD2 PHE 30 -5.244 -2.553 2.001 201 HD2 PHE 30 HD1 PHE 30 -1.500 -1.115 3.547 202 HE1 PHE 30 HE2 PHE 30 -4.092 -3.336 -0.024 203 HE2 PHE 30 HE1 PHE 30 -0.321 -2.125 1.590 204 HZ PHE 30 HZ PHE 30 -1.622 -3.124 -0.210 205 H LYS 31 HN LYS 31 -7.171 0.043 4.808 206 HA LYS 31 HA LYS 31 -8.427 -1.479 2.648 207 1HB LYS 31 2HB LYS 31 -10.391 -1.544 3.920 208 2HB LYS 31 3HB LYS 31 -8.995 -1.849 4.976 209 1HG LYS 31 2HG LYS 31 -9.046 0.641 5.534 210 2HG LYS 31 3HG LYS 31 -10.560 0.731 4.649 211 1HD LYS 31 2HD LYS 31 -11.510 -1.000 6.159 212 2HD LYS 31 3HD LYS 31 -9.957 -1.036 7.041 213 1HE LYS 31 2HE LYS 31 -10.190 1.433 7.506 214 2HE LYS 31 3HE LYS 31 -11.752 1.438 6.683 215 1HZ LYS 31 2HNZ LYS 31 -11.092 -0.071 9.122 216 2HZ LYS 31 3HNZ LYS 31 -11.978 1.314 9.045 217 3HZ LYS 31 1HNZ LYS 31 -12.564 -0.070 8.369 218 H ASP 32 HN ASP 32 -8.434 1.892 3.739 219 HA ASP 32 HA ASP 32 -10.498 2.824 1.980 220 1HB ASP 32 2HB ASP 32 -8.408 4.219 3.710 221 2HB ASP 32 3HB ASP 32 -9.614 5.064 2.742 222 H ILE 33 HN ILE 33 -7.036 2.151 1.490 223 HA ILE 33 HA ILE 33 -6.377 3.969 -0.444 224 HB ILE 33 HB ILE 33 -5.792 1.036 -0.268 225 1HG1 ILE 33 2HG1 ILE 33 -4.433 3.562 0.684 226 2HG1 ILE 33 3HG1 ILE 33 -5.049 2.321 1.701 227 1HG2 ILE 33 2HG2 ILE 33 -5.294 1.944 -2.507 228 2HG2 ILE 33 3HG2 ILE 33 -4.170 3.074 -1.701 229 3HG2 ILE 33 1HG2 ILE 33 -3.939 1.304 -1.578 230 1HD1 ILE 33 2HD1 ILE 33 -3.347 0.719 0.560 231 2HD1 ILE 33 3HD1 ILE 33 -2.567 2.220 -0.020 232 3HD1 ILE 33 1HD1 ILE 33 -2.753 1.912 1.712 233 HA PRO 34 HA PRO 34 -9.497 2.918 -3.525 234 1HB PRO 34 2HB PRO 34 -8.070 3.969 -5.746 235 2HB PRO 34 3HB PRO 34 -9.297 4.810 -4.781 236 1HG PRO 34 2HG PRO 34 -6.418 5.260 -4.867 237 2HG PRO 34 3HG PRO 34 -7.644 6.166 -3.940 238 1HD PRO 34 2HD PRO 34 -5.759 4.147 -2.972 239 2HD PRO 34 3HD PRO 34 -6.816 5.202 -2.034 240 H ASP 35 HN ASP 35 -9.806 1.139 -4.948 241 HA ASP 35 HA ASP 35 -7.684 -0.776 -5.167 242 1HB ASP 35 2HB ASP 35 -10.604 -0.568 -5.730 243 2HB ASP 35 3HB ASP 35 -9.701 -1.557 -6.849 244 H ASP 36 HN ASP 36 -8.323 2.036 -7.056 245 HA ASP 36 HA ASP 36 -7.069 0.981 -9.440 246 1HB ASP 36 2HB ASP 36 -7.177 3.212 -10.237 247 2HB ASP 36 3HB ASP 36 -8.731 2.832 -9.497 248 H TRP 37 HN TRP 37 -5.924 1.917 -6.318 249 HA TRP 37 HA TRP 37 -3.392 3.001 -7.265 250 1HB TRP 37 2HB TRP 37 -4.356 3.712 -5.107 251 2HB TRP 37 3HB TRP 37 -4.293 2.048 -4.553 252 HD1 TRP 37 HD TRP 37 -1.824 4.891 -5.387 253 HE1 TRP 37 HNE TRP 37 0.346 4.447 -4.099 254 HE3 TRP 37 HE TRP 37 -2.903 0.271 -3.650 255 HZ2 TRP 37 HZ1 TRP 37 1.483 2.315 -2.476 256 HZ3 TRP 37 HZ2 TRP 37 -1.254 -1.004 -2.239 257 HH2 TRP 37 HH TRP 37 0.942 0.017 -1.681 258 H VAL 38 HN VAL 38 -1.390 1.960 -7.076 259 HA VAL 38 HA VAL 38 -1.358 -1.002 -6.935 260 HB VAL 38 HB VAL 38 -0.151 0.719 -9.157 261 1HG1 VAL 38 1HG1 VAL 38 -0.064 -2.287 -8.693 262 2HG1 VAL 38 2HG1 VAL 38 0.342 -1.511 -10.234 263 3HG1 VAL 38 3HG1 VAL 38 1.311 -1.164 -8.809 264 1HG2 VAL 38 2HG2 VAL 38 -2.511 -1.213 -9.202 265 2HG2 VAL 38 3HG2 VAL 38 -2.546 0.531 -9.525 266 3HG2 VAL 38 1HG2 VAL 38 -1.728 -0.548 -10.648 267 H CYS 39 HN CYN 39 0.842 -1.781 -6.611 268 HA CYS 39 HA CYN 39 2.342 -0.665 -4.592 269 1HB CYS 39 2HB CYN 39 2.510 -2.874 -6.400 270 2HB CYS 39 3HB CYN 39 4.021 -1.992 -6.557 271 HA PRO 40 HA PRO 40 4.180 2.878 -6.453 272 1HB PRO 40 2HB PRO 40 6.557 3.187 -5.086 273 2HB PRO 40 3HB PRO 40 4.952 3.468 -4.359 274 1HG PRO 40 2HG PRO 40 6.611 0.967 -4.134 275 2HG PRO 40 3HG PRO 40 5.783 1.887 -2.836 276 1HD PRO 40 2HD PRO 40 4.654 -0.307 -3.945 277 2HD PRO 40 3HD PRO 40 3.655 1.110 -3.513 278 H LEU 41 HN LEU 41 6.375 0.062 -6.159 279 HA LEU 41 HA LEU 41 7.427 0.589 -8.905 280 1HB LEU 41 2HB LEU 41 9.070 -0.008 -6.412 281 2HB LEU 41 3HB LEU 41 9.712 0.029 -8.058 282 HG LEU 41 HG LEU 41 8.468 2.441 -6.668 283 1HD1 LEU 41 2HD1 LEU 41 11.383 1.655 -7.040 284 2HD1 LEU 41 3HD1 LEU 41 10.812 3.241 -6.478 285 3HD1 LEU 41 1HD1 LEU 41 10.499 1.799 -5.507 286 1HD2 LEU 41 3HD2 LEU 41 10.128 2.187 -9.228 287 2HD2 LEU 41 1HD2 LEU 41 8.399 2.587 -9.164 288 3HD2 LEU 41 2HD2 LEU 41 9.583 3.708 -8.492 289 H CYS 42 HN CYN 42 5.354 -1.176 -8.387 290 HA CYS 42 HA CYN 42 6.507 -3.633 -9.321 291 1HB CYS 42 2HB CYN 42 6.861 -4.461 -7.280 292 2HB CYS 42 3HB CYN 42 5.801 -3.327 -6.471 293 H GLY 43 HN GLY 43 4.744 -5.003 -10.117 294 1HA GLY 43 2HA GLY 43 2.414 -3.304 -10.992 295 2HA GLY 43 3HA GLY 43 3.378 -4.325 -12.063 296 H VAL 44 HN VAL 44 1.141 -4.339 -9.326 297 HA VAL 44 HA VAL 44 0.121 -6.973 -10.181 298 HB VAL 44 HB VAL 44 1.912 -7.479 -8.610 299 1HG1 VAL 44 3HG1 VAL 44 1.725 -5.384 -7.177 300 2HG1 VAL 44 1HG1 VAL 44 0.336 -6.153 -6.382 301 3HG1 VAL 44 2HG1 VAL 44 1.926 -6.912 -6.311 302 1HG2 VAL 44 3HG2 VAL 44 -0.050 -8.957 -8.789 303 2HG2 VAL 44 1HG2 VAL 44 0.665 -8.988 -7.169 304 3HG2 VAL 44 2HG2 VAL 44 -0.837 -8.085 -7.454 305 H GLY 45 HN GLY 45 -0.259 -4.442 -7.668 306 1HA GLY 45 2HA GLY 45 -2.270 -3.010 -7.724 307 2HA GLY 45 3HA GLY 45 -3.226 -4.429 -8.165 308 H LYS 46 HN LYS 46 -3.660 -2.787 -5.780 309 HA LYS 46 HA LYS 46 -2.507 -4.100 -3.495 310 1HB LYS 46 2HB LYS 46 -3.992 -2.914 -2.168 311 2HB LYS 46 3HB LYS 46 -3.429 -1.851 -3.444 312 1HG LYS 46 2HG LYS 46 -5.593 -2.103 -4.630 313 2HG LYS 46 3HG LYS 46 -6.193 -3.148 -3.331 314 1HD LYS 46 2HD LYS 46 -5.436 -0.265 -2.978 315 2HD LYS 46 3HD LYS 46 -7.057 -0.938 -3.137 316 1HE LYS 46 2HE LYS 46 -6.056 -2.521 -1.099 317 2HE LYS 46 3HE LYS 46 -5.263 -0.992 -0.785 318 1HZ LYS 46 2HNZ LYS 46 -7.626 -0.028 -1.029 319 2HZ LYS 46 3HNZ LYS 46 -8.163 -1.558 -0.920 320 3HZ LYS 46 1HNZ LYS 46 -7.283 -0.871 0.330 321 H ASP 47 HN ASP 47 -2.722 -6.334 -3.245 322 HA ASP 47 HA ASP 47 -5.315 -7.326 -2.585 323 1HB ASP 47 2HB ASP 47 -5.423 -7.714 -5.032 324 2HB ASP 47 3HB ASP 47 -3.851 -8.533 -4.978 325 H GLN 48 HN GLN 48 -5.020 -9.457 -1.737 326 HA GLN 48 HA GLN 48 -4.100 -10.657 0.045 327 1HB GLN 48 2HB GLN 48 -3.753 -11.699 -2.214 328 2HB GLN 48 3HB GLN 48 -2.097 -11.111 -2.199 329 1HG GLN 48 2HG GLN 48 -1.443 -12.893 -0.979 330 2HG GLN 48 3HG GLN 48 -2.589 -12.510 0.307 331 1HE2 GLN 48 2HNE GLN 48 -5.179 -14.690 -1.049 332 2HE2 GLN 48 1HNE GLN 48 -5.009 -13.097 -0.333 333 H PHE 49 HN PHE 49 -3.554 -8.312 0.871 334 HA PHE 49 HA PHE 49 -0.670 -7.933 1.453 335 1HB PHE 49 2HB PHE 49 -1.618 -5.723 2.380 336 2HB PHE 49 3HB PHE 49 -1.537 -5.936 0.652 337 HD1 PHE 49 HD2 PHE 49 -3.895 -5.732 3.532 338 HD2 PHE 49 HD1 PHE 49 -3.511 -6.120 -0.732 339 HE1 PHE 49 HE2 PHE 49 -6.278 -5.177 3.282 340 HE2 PHE 49 HE1 PHE 49 -5.948 -5.666 -0.986 341 HZ PHE 49 HZ PHE 49 -7.327 -5.164 1.021 342 H GLU 50 HN GLU 50 0.081 -8.741 3.363 343 HA GLU 50 HA GLU 50 -1.804 -9.557 5.495 344 1HB GLU 50 2HB GLU 50 1.164 -9.948 4.932 345 2HB GLU 50 3HB GLU 50 0.467 -10.279 6.503 346 1HG GLU 50 2HG GLU 50 -1.130 -11.893 5.467 347 2HG GLU 50 3HG GLU 50 -0.502 -11.491 3.859 348 H GLU 51 HN GLU 51 -1.614 -8.660 7.664 349 HA GLU 51 HA GLU 51 -0.870 -5.840 7.683 350 1HB GLU 51 2HB GLU 51 -2.969 -6.520 8.653 351 2HB GLU 51 3HB GLU 51 -2.204 -7.783 9.623 352 1HG GLU 51 2HG GLU 51 -1.134 -6.317 11.006 353 2HG GLU 51 3HG GLU 51 -1.410 -4.882 10.010 354 H VAL 52 HN VAL 52 0.872 -4.988 8.793 355 HA VAL 52 HA VAL 52 2.911 -6.871 9.771 356 HB VAL 52 HB VAL 52 2.917 -4.122 8.475 357 1HG1 VAL 52 1HG1 VAL 52 5.198 -5.487 9.954 358 2HG1 VAL 52 2HG1 VAL 52 5.383 -4.096 8.851 359 3HG1 VAL 52 3HG1 VAL 52 4.451 -3.921 10.340 360 1HG2 VAL 52 3HG2 VAL 52 2.917 -6.084 7.012 361 2HG2 VAL 52 1HG2 VAL 52 4.385 -5.095 6.906 362 3HG2 VAL 52 2HG2 VAL 52 4.420 -6.647 7.783 363 H GLU 53 HN GLU 53 2.501 -7.194 11.839 364 HA GLU 53 HA GLU 53 1.432 -5.339 13.655 365 1HB GLU 53 2HB GLU 53 1.904 -7.119 15.262 366 2HB GLU 53 3HB GLU 53 1.046 -7.684 13.827 367 1HG GLU 53 2HG GLU 53 3.308 -8.559 12.959 368 2HG GLU 53 3HG GLU 53 3.979 -8.119 14.515 369 H GLU 54 HN GLU 54 3.030 -3.698 13.036 370 HA GLU 54 HA GLU 54 5.447 -3.325 14.672 371 1HB GLU 54 2HB GLU 54 3.304 -1.333 13.919 372 2HB GLU 54 3HB GLU 54 4.847 -0.932 14.665 373 1HG GLU 54 2HG GLU 54 4.729 -2.334 11.967 374 2HG GLU 54 3HG GLU 54 4.504 -0.587 12.166 No H/Q in entry = 374 Start of MODEL 2 1 1H MET 1 1HN MET 1 -0.838 4.161 12.312 2 2H MET 1 2HN MET 1 -1.008 4.211 10.733 3 3H MET 1 3HN MET 1 -2.148 4.934 11.688 4 HA MET 1 HA MET 1 -2.809 2.737 12.499 5 1HB MET 1 2HB MET 1 -3.668 3.881 10.201 6 2HB MET 1 3HB MET 1 -2.876 2.516 9.493 7 1HG MET 1 2HG MET 1 -4.724 1.868 11.649 8 2HG MET 1 3HG MET 1 -5.421 2.411 10.121 9 1HE MET 1 2HE MET 1 -6.711 -0.017 10.418 10 2HE MET 1 3HE MET 1 -5.839 -1.565 10.283 11 3HE MET 1 1HE MET 1 -5.646 -0.561 11.735 12 H LYS 2 HN LYS 2 -2.691 0.289 11.768 13 HA LYS 2 HA LYS 2 -0.010 -0.594 11.945 14 1HB LYS 2 2HB LYS 2 -2.495 -2.032 10.900 15 2HB LYS 2 3HB LYS 2 -0.918 -2.753 11.230 16 1HG LYS 2 2HG LYS 2 -1.528 -1.378 13.624 17 2HG LYS 2 3HG LYS 2 -3.086 -2.056 13.073 18 1HD LYS 2 2HD LYS 2 -1.662 -4.239 12.609 19 2HD LYS 2 3HD LYS 2 -0.406 -3.446 13.535 20 1HE LYS 2 2HE LYS 2 -3.254 -3.971 14.480 21 2HE LYS 2 3HE LYS 2 -1.935 -5.127 14.686 22 1HZ LYS 2 3HNZ LYS 2 -0.675 -3.307 15.821 23 2HZ LYS 2 1HNZ LYS 2 -2.039 -2.414 15.841 24 3HZ LYS 2 2HNZ LYS 2 -1.996 -3.841 16.673 25 H LYS 3 HN LYS 3 1.320 -1.492 10.479 26 HA LYS 3 HA LYS 3 1.282 -0.516 7.739 27 1HB LYS 3 2HB LYS 3 3.190 -2.201 9.366 28 2HB LYS 3 3HB LYS 3 3.544 -1.508 7.766 29 1HG LYS 3 2HG LYS 3 3.207 0.751 8.560 30 2HG LYS 3 3HG LYS 3 2.680 0.232 10.141 31 1HD LYS 3 2HD LYS 3 4.772 0.844 10.659 32 2HD LYS 3 3HD LYS 3 4.820 -0.916 10.528 33 1HE LYS 3 2HE LYS 3 5.886 -0.721 8.294 34 2HE LYS 3 3HE LYS 3 5.811 1.048 8.400 35 1HZ LYS 3 2HNZ LYS 3 7.196 -0.657 10.364 36 2HZ LYS 3 3HNZ LYS 3 7.964 0.066 9.078 37 3HZ LYS 3 1HNZ LYS 3 7.261 0.966 10.272 38 H TYR 4 HN TYR 4 2.054 -2.246 6.076 39 HA TYR 4 HA TYR 4 0.594 -4.788 6.415 40 1HB TYR 4 2HB TYR 4 -0.137 -2.683 4.358 41 2HB TYR 4 3HB TYR 4 -0.443 -4.371 4.089 42 HD1 TYR 4 HD1 TYR 4 -1.259 -1.653 6.626 43 HD2 TYR 4 HD2 TYR 4 -2.405 -5.307 4.684 44 HE1 TYR 4 HE1 TYR 4 -3.386 -1.594 7.819 45 HE2 TYR 4 HE2 TYR 4 -4.481 -5.380 6.094 46 HH TYR 4 HOH TYR 4 -5.435 -2.618 8.136 47 H THR 5 HN THR 5 1.321 -6.441 4.965 48 HA THR 5 HA THR 5 3.911 -5.929 3.682 49 HB THR 5 HB THR 5 2.168 -8.423 3.727 50 HG1 THR 5 HG1 THR 5 2.842 -7.750 5.798 51 1HG2 THR 5 1HG2 THR 5 5.117 -8.004 3.048 52 2HG2 THR 5 2HG2 THR 5 4.330 -9.578 3.287 53 3HG2 THR 5 3HG2 THR 5 3.837 -8.551 1.934 54 H CYS 6 HN CYN 6 4.242 -5.766 1.517 55 HA CYS 6 HA CYN 6 2.037 -5.417 -0.402 56 1HB CYS 6 2HB CYN 6 3.973 -3.984 -0.517 57 2HB CYS 6 3HB CYN 6 5.078 -5.361 -0.546 58 H THR 7 HN THR 7 4.638 -7.177 -1.725 59 HA THR 7 HA THR 7 4.049 -9.789 -0.721 60 HB THR 7 HB THR 7 2.093 -9.560 -2.216 61 HG1 THR 7 HG1 THR 7 2.748 -11.585 -2.168 62 1HG2 THR 7 1HG2 THR 7 3.027 -7.933 -3.852 63 2HG2 THR 7 2HG2 THR 7 4.062 -9.223 -4.510 64 3HG2 THR 7 3HG2 THR 7 2.301 -9.353 -4.616 65 H VAL 8 HN VAL 8 5.136 -11.044 -3.105 66 HA VAL 8 HA VAL 8 7.959 -10.499 -2.541 67 HB VAL 8 HB VAL 8 8.370 -12.401 -4.098 68 1HG1 VAL 8 2HG1 VAL 8 8.136 -12.710 -1.671 69 2HG1 VAL 8 3HG1 VAL 8 6.381 -12.916 -1.848 70 3HG1 VAL 8 1HG1 VAL 8 7.495 -14.100 -2.563 71 1HG2 VAL 8 1HG2 VAL 8 6.281 -12.167 -5.516 72 2HG2 VAL 8 2HG2 VAL 8 6.558 -13.793 -4.879 73 3HG2 VAL 8 3HG2 VAL 8 5.333 -12.756 -4.138 74 H CYS 9 HN CYN 9 7.272 -8.184 -3.397 75 HA CYS 9 HA CYN 9 8.837 -7.842 -5.831 76 1HB CYS 9 2HB CYN 9 7.136 -6.429 -6.918 77 2HB CYS 9 3HB CYN 9 6.716 -8.141 -6.862 78 H GLY 10 HN GLY 10 6.635 -6.126 -3.585 79 1HA GLY 10 2HA GLY 10 8.388 -3.761 -3.639 80 2HA GLY 10 3HA GLY 10 6.734 -3.901 -3.038 81 H TYR 11 HN TYR 11 7.133 -2.801 -1.186 82 HA TYR 11 HA TYR 11 8.606 -4.199 0.966 83 1HB TYR 11 2HB TYR 11 10.105 -2.421 0.273 84 2HB TYR 11 3HB TYR 11 8.777 -1.269 0.166 85 HD1 TYR 11 HD2 TYR 11 10.452 -3.512 2.697 86 HD2 TYR 11 HD1 TYR 11 8.346 0.180 1.972 87 HE1 TYR 11 HE2 TYR 11 10.451 -3.031 5.122 88 HE2 TYR 11 HE1 TYR 11 8.391 0.681 4.387 89 HH TYR 11 HOH TYR 11 9.733 -1.626 6.771 90 H ILE 12 HN ILE 12 7.754 -3.539 3.061 91 HA ILE 12 HA ILE 12 5.012 -3.715 3.320 92 HB ILE 12 HB ILE 12 7.286 -2.844 5.087 93 1HG1 ILE 12 2HG1 ILE 12 5.196 -5.031 5.383 94 2HG1 ILE 12 3HG1 ILE 12 6.666 -5.238 4.431 95 1HG2 ILE 12 2HG2 ILE 12 4.381 -2.657 5.939 96 2HG2 ILE 12 3HG2 ILE 12 5.760 -2.664 7.047 97 3HG2 ILE 12 1HG2 ILE 12 5.569 -1.332 5.922 98 1HD1 ILE 12 3HD1 ILE 12 8.066 -4.833 6.410 99 2HD1 ILE 12 1HD1 ILE 12 6.611 -4.670 7.422 100 3HD1 ILE 12 2HD1 ILE 12 6.965 -6.208 6.628 101 H TYR 13 HN TYR 13 3.347 -2.399 3.150 102 HA TYR 13 HA TYR 13 3.617 0.417 2.378 103 1HB TYR 13 2HB TYR 13 1.826 -0.926 1.447 104 2HB TYR 13 3HB TYR 13 1.282 -1.397 3.062 105 HD1 TYR 13 HD2 TYR 13 0.118 0.233 4.547 106 HD2 TYR 13 HD1 TYR 13 0.944 1.058 0.427 107 HE1 TYR 13 HE2 TYR 13 -1.366 2.204 4.621 108 HE2 TYR 13 HE1 TYR 13 -0.105 3.313 0.665 109 HH TYR 13 HOH TYR 13 -2.066 4.178 3.549 110 H ASN 14 HN ASN 14 3.421 2.126 3.784 111 HA ASN 14 HA ASN 14 2.785 1.564 6.635 112 1HB ASN 14 2HB ASN 14 5.181 2.098 6.279 113 2HB ASN 14 3HB ASN 14 4.721 3.640 5.560 114 1HD2 ASN 14 2HND ASN 14 5.481 4.343 9.110 115 2HD2 ASN 14 1HND ASN 14 6.161 4.310 7.490 116 HA PRO 15 HA PRO 15 -0.457 4.302 5.229 117 1HB PRO 15 2HB PRO 15 -1.919 4.433 7.644 118 2HB PRO 15 3HB PRO 15 -2.138 3.117 6.499 119 1HG PRO 15 2HG PRO 15 -0.613 3.095 8.999 120 2HG PRO 15 3HG PRO 15 -1.412 1.761 8.092 121 1HD PRO 15 2HD PRO 15 1.299 2.241 8.259 122 2HD PRO 15 3HD PRO 15 0.546 1.235 7.027 123 H GLU 16 HN GLU 16 1.318 4.759 8.245 124 HA GLU 16 HA GLU 16 0.436 7.443 8.655 125 1HB GLU 16 2HB GLU 16 2.919 5.971 9.604 126 2HB GLU 16 3HB GLU 16 2.290 7.500 10.204 127 1HG GLU 16 2HG GLU 16 0.023 6.198 10.517 128 2HG GLU 16 3HG GLU 16 0.998 4.718 10.288 129 H ASP 17 HN ASP 17 2.792 6.004 6.604 130 HA ASP 17 HA ASP 17 4.022 8.609 5.791 131 1HB ASP 17 2HB ASP 17 4.476 5.749 4.882 132 2HB ASP 17 3HB ASP 17 5.308 7.152 4.234 133 H GLY 18 HN GLY 18 1.711 6.109 4.771 134 1HA GLY 18 2HA GLY 18 0.310 5.932 3.057 135 2HA GLY 18 3HA GLY 18 0.522 7.647 2.657 136 H ASP 19 HN ASP 19 0.599 7.047 0.451 137 HA ASP 19 HA ASP 19 3.313 6.515 -0.509 138 1HB ASP 19 2HB ASP 19 1.020 4.641 -0.941 139 2HB ASP 19 3HB ASP 19 1.868 5.094 -2.408 140 HA PRO 20 HA PRO 20 0.577 10.007 -1.955 141 1HB PRO 20 2HB PRO 20 2.345 12.100 -1.587 142 2HB PRO 20 3HB PRO 20 1.227 11.477 -0.336 143 1HG PRO 20 2HG PRO 20 4.153 10.793 -0.729 144 2HG PRO 20 3HG PRO 20 3.317 11.209 0.799 145 1HD PRO 20 2HD PRO 20 3.805 8.640 0.137 146 2HD PRO 20 3HD PRO 20 2.243 9.093 0.877 147 H ASP 21 HN ASP 21 3.946 9.092 -2.770 148 HA ASP 21 HA ASP 21 4.219 10.686 -5.098 149 1HB ASP 21 2HB ASP 21 5.456 8.053 -4.144 150 2HB ASP 21 3HB ASP 21 6.000 8.959 -5.552 151 H ASN 22 HN ASN 22 2.625 7.682 -4.321 152 HA ASN 22 HA ASN 22 2.118 6.947 -7.141 153 1HB ASN 22 2HB ASN 22 1.378 5.529 -4.553 154 2HB ASN 22 3HB ASN 22 1.284 4.864 -6.178 155 1HD2 ASN 22 2HND ASN 22 4.793 4.737 -4.142 156 2HD2 ASN 22 1HND ASN 22 3.477 5.685 -3.505 157 H GLY 23 HN GLY 23 0.592 8.231 -4.323 158 1HA GLY 23 2HA GLY 23 -1.118 9.893 -5.096 159 2HA GLY 23 3HA GLY 23 -2.010 8.536 -5.795 160 H VAL 24 HN VAL 24 -0.541 7.620 -2.823 161 HA VAL 24 HA VAL 24 -3.197 7.737 -1.456 162 HB VAL 24 HB VAL 24 -0.763 5.972 -1.266 163 1HG1 VAL 24 3HG1 VAL 24 -3.219 6.010 0.509 164 2HG1 VAL 24 1HG1 VAL 24 -2.079 4.654 0.384 165 3HG1 VAL 24 2HG1 VAL 24 -1.518 6.211 1.015 166 1HG2 VAL 24 3HG2 VAL 24 -2.415 5.563 -3.117 167 2HG2 VAL 24 1HG2 VAL 24 -2.318 4.222 -1.956 168 3HG2 VAL 24 2HG2 VAL 24 -3.685 5.356 -1.900 169 H ASN 25 HN ASN 25 -3.380 9.363 -0.070 170 HA ASN 25 HA ASN 25 -1.152 10.966 0.769 171 1HB ASN 25 2HB ASN 25 -4.106 10.833 1.480 172 2HB ASN 25 3HB ASN 25 -3.016 11.843 2.415 173 1HD2 ASN 25 2HND ASN 25 -3.582 12.882 -1.543 174 2HD2 ASN 25 1HND ASN 25 -3.704 11.193 -1.114 175 HA PRO 26 HA PRO 26 0.026 8.826 4.523 176 1HB PRO 26 2HB PRO 26 0.452 10.945 6.285 177 2HB PRO 26 3HB PRO 26 1.622 10.313 5.107 178 1HG PRO 26 2HG PRO 26 -0.157 12.720 4.857 179 2HG PRO 26 3HG PRO 26 1.537 12.487 4.304 180 1HD PRO 26 2HD PRO 26 -0.638 12.354 2.619 181 2HD PRO 26 3HD PRO 26 0.837 11.377 2.357 182 H GLY 27 HN GLY 27 -0.846 8.165 6.397 183 1HA GLY 27 2HA GLY 27 -2.381 7.821 8.063 184 2HA GLY 27 3HA GLY 27 -3.235 9.309 7.625 185 H THR 28 HN THR 28 -2.669 6.982 4.915 186 HA THR 28 HA THR 28 -5.588 6.498 4.999 187 HB THR 28 HB THR 28 -3.461 6.050 2.858 188 HG1 THR 28 HG1 THR 28 -3.745 8.193 2.921 189 1HG2 THR 28 2HG2 THR 28 -6.492 5.913 2.821 190 2HG2 THR 28 3HG2 THR 28 -5.454 5.842 1.375 191 3HG2 THR 28 1HG2 THR 28 -5.351 4.561 2.602 192 H ASP 29 HN ASP 29 -6.211 4.759 5.953 193 HA ASP 29 HA ASP 29 -4.684 2.435 6.639 194 1HB ASP 29 2HB ASP 29 -6.903 3.179 7.565 195 2HB ASP 29 3HB ASP 29 -7.649 2.696 6.064 196 H PHE 30 HN PHE 30 -4.245 0.698 5.450 197 HA PHE 30 HA PHE 30 -4.198 0.513 2.688 198 1HB PHE 30 2HB PHE 30 -3.285 -0.988 4.642 199 2HB PHE 30 3HB PHE 30 -4.732 -1.950 4.358 200 HD1 PHE 30 HD2 PHE 30 -5.106 -2.688 1.808 201 HD2 PHE 30 HD1 PHE 30 -1.399 -1.162 3.365 202 HE1 PHE 30 HE2 PHE 30 -3.904 -3.504 -0.199 203 HE2 PHE 30 HE1 PHE 30 -0.185 -2.152 1.421 204 HZ PHE 30 HZ PHE 30 -1.455 -3.305 -0.316 205 H LYS 31 HN LYS 31 -7.019 -0.099 4.873 206 HA LYS 31 HA LYS 31 -8.435 -1.566 2.786 207 1HB LYS 31 2HB LYS 31 -10.293 -1.563 4.210 208 2HB LYS 31 3HB LYS 31 -8.843 -1.825 5.206 209 1HG LYS 31 2HG LYS 31 -8.844 0.725 5.571 210 2HG LYS 31 3HG LYS 31 -10.416 0.745 4.816 211 1HD LYS 31 2HD LYS 31 -11.198 -0.911 6.518 212 2HD LYS 31 3HD LYS 31 -9.584 -0.796 7.283 213 1HE LYS 31 2HE LYS 31 -9.908 1.706 7.505 214 2HE LYS 31 3HE LYS 31 -11.532 1.550 6.835 215 1HZ LYS 31 2HNZ LYS 31 -10.545 0.326 9.318 216 2HZ LYS 31 3HNZ LYS 31 -11.521 1.651 9.217 217 3HZ LYS 31 1HNZ LYS 31 -12.090 0.179 8.733 218 H ASP 32 HN ASP 32 -8.068 1.801 3.767 219 HA ASP 32 HA ASP 32 -10.344 2.790 2.242 220 1HB ASP 32 2HB ASP 32 -8.108 4.229 3.736 221 2HB ASP 32 3HB ASP 32 -9.541 4.987 3.041 222 H ILE 33 HN ILE 33 -6.957 2.011 1.555 223 HA ILE 33 HA ILE 33 -6.307 3.880 -0.331 224 HB ILE 33 HB ILE 33 -5.824 0.958 -0.130 225 1HG1 ILE 33 2HG1 ILE 33 -4.346 3.436 0.710 226 2HG1 ILE 33 3HG1 ILE 33 -4.939 2.198 1.738 227 1HG2 ILE 33 2HG2 ILE 33 -5.398 1.704 -2.441 228 2HG2 ILE 33 3HG2 ILE 33 -4.221 2.866 -1.765 229 3HG2 ILE 33 1HG2 ILE 33 -3.989 1.105 -1.577 230 1HD1 ILE 33 1HD1 ILE 33 -3.302 0.578 0.533 231 2HD1 ILE 33 2HD1 ILE 33 -2.526 2.066 -0.080 232 3HD1 ILE 33 3HD1 ILE 33 -2.648 1.762 1.662 233 HA PRO 34 HA PRO 34 -9.579 3.021 -3.384 234 1HB PRO 34 2HB PRO 34 -7.743 3.876 -5.516 235 2HB PRO 34 3HB PRO 34 -9.232 4.674 -4.958 236 1HG PRO 34 2HG PRO 34 -6.602 5.599 -4.553 237 2HG PRO 34 3HG PRO 34 -8.018 6.076 -3.572 238 1HD PRO 34 2HD PRO 34 -5.843 4.115 -2.870 239 2HD PRO 34 3HD PRO 34 -6.848 5.142 -1.832 240 H ASP 35 HN ASP 35 -9.986 1.061 -4.585 241 HA ASP 35 HA ASP 35 -7.782 -0.793 -4.676 242 1HB ASP 35 2HB ASP 35 -10.736 -0.865 -4.833 243 2HB ASP 35 3HB ASP 35 -9.923 -1.971 -5.911 244 H ASP 36 HN ASP 36 -8.694 1.650 -6.849 245 HA ASP 36 HA ASP 36 -7.531 0.379 -9.194 246 1HB ASP 36 2HB ASP 36 -7.662 2.704 -10.069 247 2HB ASP 36 3HB ASP 36 -9.219 2.126 -9.459 248 H TRP 37 HN TRP 37 -6.216 1.542 -6.232 249 HA TRP 37 HA TRP 37 -3.858 2.812 -7.281 250 1HB TRP 37 2HB TRP 37 -4.636 3.198 -5.005 251 2HB TRP 37 3HB TRP 37 -4.491 1.475 -4.654 252 HD1 TRP 37 HD TRP 37 -2.140 4.463 -5.280 253 HE1 TRP 37 HNE TRP 37 0.010 4.025 -3.945 254 HE3 TRP 37 HE TRP 37 -3.046 -0.332 -3.917 255 HZ2 TRP 37 HZ1 TRP 37 1.149 1.868 -2.363 256 HZ3 TRP 37 HZ2 TRP 37 -1.403 -1.598 -2.498 257 HH2 TRP 37 HH TRP 37 0.657 -0.483 -1.689 258 H VAL 38 HN VAL 38 -1.721 1.949 -7.092 259 HA VAL 38 HA VAL 38 -1.455 -0.950 -7.713 260 HB VAL 38 HB VAL 38 -1.485 0.460 -9.756 261 1HG1 VAL 38 2HG1 VAL 38 -0.540 2.564 -8.829 262 2HG1 VAL 38 3HG1 VAL 38 1.042 1.773 -8.661 263 3HG1 VAL 38 1HG1 VAL 38 0.330 2.011 -10.265 264 1HG2 VAL 38 3HG2 VAL 38 -0.197 -1.610 -9.787 265 2HG2 VAL 38 1HG2 VAL 38 0.568 -0.369 -10.785 266 3HG2 VAL 38 2HG2 VAL 38 1.247 -0.748 -9.192 267 H CYS 39 HN CYN 39 0.576 -1.841 -7.088 268 HA CYS 39 HA CYN 39 1.799 -1.439 -4.782 269 1HB CYS 39 2HB CYN 39 2.789 -2.263 -7.483 270 2HB CYS 39 3HB CYN 39 3.958 -2.050 -6.195 271 HA PRO 40 HA PRO 40 3.869 2.427 -4.752 272 1HB PRO 40 2HB PRO 40 5.631 2.192 -2.707 273 2HB PRO 40 3HB PRO 40 3.864 2.045 -2.489 274 1HG PRO 40 2HG PRO 40 5.812 -0.234 -2.798 275 2HG PRO 40 3HG PRO 40 4.600 0.020 -1.505 276 1HD PRO 40 2HD PRO 40 4.034 -1.521 -3.699 277 2HD PRO 40 3HD PRO 40 2.802 -0.462 -2.954 278 H LEU 41 HN LEU 41 6.061 -0.409 -4.991 279 HA LEU 41 HA LEU 41 7.844 1.148 -6.808 280 1HB LEU 41 2HB LEU 41 8.735 -0.629 -4.501 281 2HB LEU 41 3HB LEU 41 9.808 0.022 -5.742 282 HG LEU 41 HG LEU 41 8.239 1.727 -3.763 283 1HD1 LEU 41 3HD1 LEU 41 10.020 0.401 -2.653 284 2HD1 LEU 41 1HD1 LEU 41 11.202 0.998 -3.836 285 3HD1 LEU 41 2HD1 LEU 41 10.428 2.119 -2.701 286 1HD2 LEU 41 2HD2 LEU 41 10.440 2.460 -5.761 287 2HD2 LEU 41 3HD2 LEU 41 8.748 2.987 -5.850 288 3HD2 LEU 41 1HD2 LEU 41 9.770 3.541 -4.527 289 H CYS 42 HN CYN 42 5.624 -0.649 -7.340 290 HA CYS 42 HA CYN 42 6.945 -2.570 -9.037 291 1HB CYS 42 2HB CYN 42 4.994 -4.164 -7.712 292 2HB CYS 42 3HB CYN 42 6.739 -4.372 -7.805 293 H GLY 43 HN GLY 43 4.717 -3.954 -9.907 294 1HA GLY 43 2HA GLY 43 2.751 -1.818 -10.684 295 2HA GLY 43 3HA GLY 43 3.607 -2.783 -11.886 296 H VAL 44 HN VAL 44 1.886 -3.445 -8.766 297 HA VAL 44 HA VAL 44 0.103 -5.385 -10.122 298 HB VAL 44 HB VAL 44 1.881 -5.860 -7.691 299 1HG1 VAL 44 3HG1 VAL 44 -0.487 -7.540 -8.613 300 2HG1 VAL 44 1HG1 VAL 44 0.768 -8.075 -7.476 301 3HG1 VAL 44 2HG1 VAL 44 -0.280 -6.736 -7.036 302 1HG2 VAL 44 1HG2 VAL 44 1.513 -7.375 -10.310 303 2HG2 VAL 44 2HG2 VAL 44 2.917 -6.381 -9.869 304 3HG2 VAL 44 3HG2 VAL 44 2.577 -7.862 -8.974 305 H GLY 45 HN GLY 45 -1.850 -5.794 -8.765 306 1HA GLY 45 2HA GLY 45 -2.914 -3.261 -7.775 307 2HA GLY 45 3HA GLY 45 -3.750 -4.815 -7.939 308 H LYS 46 HN LYS 46 -4.526 -3.828 -5.748 309 HA LYS 46 HA LYS 46 -2.774 -4.175 -3.438 310 1HB LYS 46 2HB LYS 46 -5.794 -3.971 -3.727 311 2HB LYS 46 3HB LYS 46 -4.916 -4.036 -2.186 312 1HG LYS 46 2HG LYS 46 -3.834 -1.933 -2.647 313 2HG LYS 46 3HG LYS 46 -4.533 -1.912 -4.299 314 1HD LYS 46 2HD LYS 46 -5.965 -0.496 -3.072 315 2HD LYS 46 3HD LYS 46 -6.800 -2.046 -3.224 316 1HE LYS 46 2HE LYS 46 -5.988 -2.635 -0.882 317 2HE LYS 46 3HE LYS 46 -5.368 -1.013 -0.769 318 1HZ LYS 46 1HNZ LYS 46 -8.220 -1.639 -1.352 319 2HZ LYS 46 2HNZ LYS 46 -7.612 -1.167 0.157 320 3HZ LYS 46 3HNZ LYS 46 -7.632 -0.160 -1.126 321 H ASP 47 HN ASP 47 -5.573 -5.918 -4.732 322 HA ASP 47 HA ASP 47 -6.534 -7.853 -4.433 323 1HB ASP 47 2HB ASP 47 -3.774 -9.013 -4.800 324 2HB ASP 47 3HB ASP 47 -5.326 -9.662 -5.320 325 H GLN 48 HN GLN 48 -3.509 -8.377 -2.536 326 HA GLN 48 HA GLN 48 -5.102 -9.272 -0.225 327 1HB GLN 48 2HB GLN 48 -2.869 -10.980 -1.419 328 2HB GLN 48 3HB GLN 48 -3.729 -11.273 0.102 329 1HG GLN 48 2HG GLN 48 -5.881 -11.441 -1.253 330 2HG GLN 48 3HG GLN 48 -4.891 -11.358 -2.719 331 1HE2 GLN 48 2HNE GLN 48 -4.818 -14.771 -0.408 332 2HE2 GLN 48 1HNE GLN 48 -5.417 -13.270 0.281 333 H PHE 49 HN PHE 49 -4.083 -8.701 1.690 334 HA PHE 49 HA PHE 49 -1.357 -7.581 1.672 335 1HB PHE 49 2HB PHE 49 -2.364 -5.346 2.438 336 2HB PHE 49 3HB PHE 49 -2.415 -5.761 0.744 337 HD1 PHE 49 HD1 PHE 49 -4.486 -6.189 -0.476 338 HD2 PHE 49 HD2 PHE 49 -4.559 -5.368 3.750 339 HE1 PHE 49 HE1 PHE 49 -6.906 -5.678 -0.608 340 HE2 PHE 49 HE2 PHE 49 -6.950 -4.781 3.607 341 HZ PHE 49 HZ PHE 49 -8.137 -4.926 1.422 342 H GLU 50 HN GLU 50 -0.545 -8.476 3.476 343 HA GLU 50 HA GLU 50 -2.316 -9.291 5.695 344 1HB GLU 50 2HB GLU 50 0.668 -9.592 5.187 345 2HB GLU 50 3HB GLU 50 -0.169 -10.218 6.585 346 1HG GLU 50 2HG GLU 50 -1.608 -11.632 5.116 347 2HG GLU 50 3HG GLU 50 -0.787 -10.990 3.681 348 H GLU 51 HN GLU 51 -2.354 -8.197 7.677 349 HA GLU 51 HA GLU 51 -1.263 -5.522 7.795 350 1HB GLU 51 2HB GLU 51 -3.492 -5.995 8.666 351 2HB GLU 51 3HB GLU 51 -2.858 -7.294 9.708 352 1HG GLU 51 2HG GLU 51 -1.618 -5.825 10.979 353 2HG GLU 51 3HG GLU 51 -1.960 -4.412 9.953 354 H VAL 52 HN VAL 52 0.562 -4.884 8.957 355 HA VAL 52 HA VAL 52 2.358 -6.943 10.072 356 HB VAL 52 HB VAL 52 2.669 -4.175 8.807 357 1HG1 VAL 52 2HG1 VAL 52 4.719 -5.799 10.372 358 2HG1 VAL 52 3HG1 VAL 52 5.071 -4.363 9.370 359 3HG1 VAL 52 1HG1 VAL 52 4.048 -4.210 10.803 360 1HG2 VAL 52 3HG2 VAL 52 2.573 -6.143 7.314 361 2HG2 VAL 52 1HG2 VAL 52 4.131 -5.302 7.317 362 3HG2 VAL 52 2HG2 VAL 52 3.956 -6.850 8.180 363 H GLU 53 HN GLU 53 1.872 -7.209 12.149 364 HA GLU 53 HA GLU 53 0.511 -5.372 13.737 365 1HB GLU 53 2HB GLU 53 0.825 -7.005 15.463 366 2HB GLU 53 3HB GLU 53 0.182 -7.679 13.967 367 1HG GLU 53 2HG GLU 53 2.504 -8.558 13.443 368 2HG GLU 53 3HG GLU 53 3.038 -7.967 15.014 369 H GLU 54 HN GLU 54 2.229 -3.720 13.157 370 HA GLU 54 HA GLU 54 3.884 -3.234 15.598 371 1HB GLU 54 2HB GLU 54 3.333 -1.234 13.384 372 2HB GLU 54 3HB GLU 54 4.435 -1.105 14.754 373 1HG GLU 54 2HG GLU 54 5.548 -3.293 13.688 374 2HG GLU 54 3HG GLU 54 4.705 -2.761 12.245 No H/Q in entry = 374 Start of MODEL 3 1 1H MET 1 2HN MET 1 -0.804 4.283 12.218 2 2H MET 1 3HN MET 1 -2.309 4.737 12.671 3 3H MET 1 1HN MET 1 -1.455 3.580 13.478 4 HA MET 1 HA MET 1 -3.134 2.451 12.253 5 1HB MET 1 2HB MET 1 -1.977 4.041 9.943 6 2HB MET 1 3HB MET 1 -2.920 2.550 9.680 7 1HG MET 1 2HG MET 1 -4.788 3.667 10.982 8 2HG MET 1 3HG MET 1 -3.828 5.164 10.893 9 1HE MET 1 3HE MET 1 -6.828 4.805 9.831 10 2HE MET 1 1HE MET 1 -5.959 6.357 9.667 11 3HE MET 1 2HE MET 1 -6.753 5.621 8.255 12 H LYS 2 HN LYS 2 -2.654 0.408 10.986 13 HA LYS 2 HA LYS 2 0.032 -0.518 11.795 14 1HB LYS 2 2HB LYS 2 -2.416 -1.972 10.714 15 2HB LYS 2 3HB LYS 2 -0.852 -2.699 11.078 16 1HG LYS 2 2HG LYS 2 -1.548 -1.219 13.423 17 2HG LYS 2 3HG LYS 2 -3.032 -2.042 12.870 18 1HD LYS 2 2HD LYS 2 -1.523 -4.137 12.573 19 2HD LYS 2 3HD LYS 2 -0.288 -3.278 13.462 20 1HE LYS 2 2HE LYS 2 -3.127 -3.667 14.507 21 2HE LYS 2 3HE LYS 2 -1.923 -4.944 14.624 22 1HZ LYS 2 2HNZ LYS 2 -0.438 -3.291 15.744 23 2HZ LYS 2 3HNZ LYS 2 -1.682 -2.253 15.815 24 3HZ LYS 2 1HNZ LYS 2 -1.788 -3.687 16.625 25 H LYS 3 HN LYS 3 1.523 -1.368 10.412 26 HA LYS 3 HA LYS 3 1.520 -0.503 7.632 27 1HB LYS 3 2HB LYS 3 3.402 -2.172 9.312 28 2HB LYS 3 3HB LYS 3 3.740 -1.592 7.669 29 1HG LYS 3 2HG LYS 3 3.353 0.744 8.410 30 2HG LYS 3 3HG LYS 3 3.103 0.211 10.053 31 1HD LYS 3 2HD LYS 3 5.440 -0.868 9.936 32 2HD LYS 3 3HD LYS 3 5.673 0.052 8.432 33 1HE LYS 3 2HE LYS 3 5.220 2.174 9.705 34 2HE LYS 3 3HE LYS 3 4.928 1.227 11.169 35 1HZ LYS 3 2HNZ LYS 3 7.514 1.251 9.772 36 2HZ LYS 3 3HNZ LYS 3 7.127 2.145 11.114 37 3HZ LYS 3 1HNZ LYS 3 7.096 0.514 11.206 38 H TYR 4 HN TYR 4 2.234 -2.182 6.028 39 HA TYR 4 HA TYR 4 0.847 -4.776 6.349 40 1HB TYR 4 2HB TYR 4 0.020 -2.695 4.309 41 2HB TYR 4 3HB TYR 4 -0.189 -4.389 4.008 42 HD1 TYR 4 HD2 TYR 4 -1.163 -1.774 6.585 43 HD2 TYR 4 HD1 TYR 4 -2.097 -5.433 4.566 44 HE1 TYR 4 HE2 TYR 4 -3.165 -2.012 7.994 45 HE2 TYR 4 HE1 TYR 4 -4.054 -5.772 6.105 46 HH TYR 4 HOH TYR 4 -4.604 -4.012 8.892 47 H THR 5 HN THR 5 1.530 -6.407 4.902 48 HA THR 5 HA THR 5 4.158 -5.972 3.700 49 HB THR 5 HB THR 5 2.410 -8.454 3.669 50 HG1 THR 5 HG1 THR 5 2.805 -7.813 5.796 51 1HG2 THR 5 1HG2 THR 5 5.422 -8.061 3.371 52 2HG2 THR 5 2HG2 THR 5 4.574 -9.618 3.454 53 3HG2 THR 5 3HG2 THR 5 4.299 -8.541 2.076 54 H CYS 6 HN CYN 6 4.430 -5.298 1.682 55 HA CYS 6 HA CYN 6 2.490 -5.050 -0.397 56 1HB CYS 6 2HB CYN 6 4.688 -3.876 -0.032 57 2HB CYS 6 3HB CYN 6 5.480 -5.326 -0.673 58 H THR 7 HN THR 7 1.382 -6.955 -0.734 59 HA THR 7 HA THR 7 2.570 -9.523 -0.440 60 HB THR 7 HB THR 7 -0.075 -8.605 -1.632 61 HG1 THR 7 HG1 THR 7 0.627 -8.276 0.669 62 1HG2 THR 7 2HG2 THR 7 0.826 -11.412 -0.823 63 2HG2 THR 7 3HG2 THR 7 -0.840 -10.919 -1.181 64 3HG2 THR 7 1HG2 THR 7 0.373 -10.877 -2.464 65 H VAL 8 HN VAL 8 3.247 -11.005 -1.916 66 HA VAL 8 HA VAL 8 4.557 -11.667 -3.550 67 HB VAL 8 HB VAL 8 2.434 -12.057 -4.572 68 1HG1 VAL 8 2HG1 VAL 8 2.705 -9.355 -5.924 69 2HG1 VAL 8 3HG1 VAL 8 1.649 -10.653 -6.513 70 3HG1 VAL 8 1HG1 VAL 8 1.360 -9.967 -4.923 71 1HG2 VAL 8 1HG2 VAL 8 4.599 -12.655 -5.749 72 2HG2 VAL 8 2HG2 VAL 8 3.129 -12.594 -6.736 73 3HG2 VAL 8 3HG2 VAL 8 4.289 -11.268 -6.822 74 H CYS 9 HN CYN 9 5.080 -8.909 -2.407 75 HA CYS 9 HA CYN 9 7.216 -8.162 -4.324 76 1HB CYS 9 2HB CYN 9 5.093 -6.489 -3.016 77 2HB CYS 9 3HB CYN 9 6.583 -5.757 -3.646 78 H GLY 10 HN GLY 10 8.209 -6.094 -2.654 79 1HA GLY 10 2HA GLY 10 8.525 -7.129 0.088 80 2HA GLY 10 3HA GLY 10 9.970 -7.162 -0.941 81 H TYR 11 HN TYR 11 7.250 -4.920 -0.240 82 HA TYR 11 HA TYR 11 9.110 -2.701 0.368 83 1HB TYR 11 2HB TYR 11 8.552 -2.996 -2.185 84 2HB TYR 11 3HB TYR 11 6.988 -2.338 -1.781 85 HD1 TYR 11 HD2 TYR 11 6.919 0.060 -0.749 86 HD2 TYR 11 HD1 TYR 11 10.492 -1.688 -2.422 87 HE1 TYR 11 HE2 TYR 11 7.907 2.311 -1.002 88 HE2 TYR 11 HE1 TYR 11 11.485 0.560 -2.648 89 HH TYR 11 HOH TYR 11 11.159 2.824 -2.404 90 H ILE 12 HN ILE 12 7.978 -3.485 2.433 91 HA ILE 12 HA ILE 12 5.368 -3.503 3.048 92 HB ILE 12 HB ILE 12 7.787 -2.667 4.599 93 1HG1 ILE 12 2HG1 ILE 12 5.602 -4.722 5.149 94 2HG1 ILE 12 3HG1 ILE 12 6.952 -5.039 4.052 95 1HG2 ILE 12 2HG2 ILE 12 4.972 -2.338 5.731 96 2HG2 ILE 12 3HG2 ILE 12 6.450 -2.375 6.702 97 3HG2 ILE 12 1HG2 ILE 12 6.197 -1.060 5.582 98 1HD1 ILE 12 2HD1 ILE 12 8.562 -4.685 5.888 99 2HD1 ILE 12 3HD1 ILE 12 7.215 -4.436 7.026 100 3HD1 ILE 12 1HD1 ILE 12 7.416 -5.997 6.221 101 H TYR 13 HN TYR 13 3.635 -2.290 3.150 102 HA TYR 13 HA TYR 13 3.777 0.531 2.305 103 1HB TYR 13 2HB TYR 13 2.039 -0.857 1.376 104 2HB TYR 13 3HB TYR 13 1.504 -1.355 2.987 105 HD1 TYR 13 HD1 TYR 13 0.319 0.253 4.489 106 HD2 TYR 13 HD2 TYR 13 1.053 1.079 0.357 107 HE1 TYR 13 HE1 TYR 13 -1.251 2.152 4.552 108 HE2 TYR 13 HE2 TYR 13 -0.007 3.335 0.615 109 HH TYR 13 HOH TYR 13 -2.000 4.119 3.520 110 H ASN 14 HN ASN 14 3.559 2.219 3.697 111 HA ASN 14 HA ASN 14 2.953 1.658 6.552 112 1HB ASN 14 2HB ASN 14 5.360 2.258 6.160 113 2HB ASN 14 3HB ASN 14 4.839 3.777 5.431 114 1HD2 ASN 14 2HND ASN 14 5.625 4.587 8.923 115 2HD2 ASN 14 1HND ASN 14 6.265 4.567 7.293 116 HA PRO 15 HA PRO 15 -0.353 4.296 5.169 117 1HB PRO 15 2HB PRO 15 -1.854 4.358 7.522 118 2HB PRO 15 3HB PRO 15 -1.916 2.983 6.406 119 1HG PRO 15 2HG PRO 15 -0.334 3.175 8.944 120 2HG PRO 15 3HG PRO 15 -1.224 1.809 8.190 121 1HD PRO 15 2HD PRO 15 1.495 2.244 8.163 122 2HD PRO 15 3HD PRO 15 0.689 1.253 6.952 123 H GLU 16 HN GLU 16 1.387 4.771 8.201 124 HA GLU 16 HA GLU 16 0.452 7.402 8.688 125 1HB GLU 16 2HB GLU 16 3.065 6.069 9.479 126 2HB GLU 16 3HB GLU 16 2.313 7.487 10.191 127 1HG GLU 16 2HG GLU 16 0.181 5.787 10.331 128 2HG GLU 16 3HG GLU 16 1.460 4.559 10.288 129 H ASP 17 HN ASP 17 2.823 6.103 6.552 130 HA ASP 17 HA ASP 17 3.938 8.766 5.768 131 1HB ASP 17 2HB ASP 17 4.498 5.934 4.837 132 2HB ASP 17 3HB ASP 17 5.286 7.372 4.197 133 H GLY 18 HN GLY 18 1.722 6.186 4.716 134 1HA GLY 18 2HA GLY 18 0.342 5.970 3.002 135 2HA GLY 18 3HA GLY 18 0.445 7.705 2.657 136 H ASP 19 HN ASP 19 0.545 7.206 0.419 137 HA ASP 19 HA ASP 19 3.270 6.879 -0.594 138 1HB ASP 19 2HB ASP 19 1.071 4.883 -1.096 139 2HB ASP 19 3HB ASP 19 1.976 5.401 -2.510 140 HA PRO 20 HA PRO 20 0.259 10.202 -1.905 141 1HB PRO 20 2HB PRO 20 1.927 12.397 -1.598 142 2HB PRO 20 3HB PRO 20 0.862 11.721 -0.328 143 1HG PRO 20 2HG PRO 20 3.811 11.213 -0.756 144 2HG PRO 20 3HG PRO 20 2.965 11.547 0.783 145 1HD PRO 20 2HD PRO 20 3.626 9.028 0.061 146 2HD PRO 20 3HD PRO 20 2.058 9.355 0.851 147 H ASP 21 HN ASP 21 3.722 9.744 -2.813 148 HA ASP 21 HA ASP 21 3.784 11.170 -5.179 149 1HB ASP 21 2HB ASP 21 5.124 8.527 -4.418 150 2HB ASP 21 3HB ASP 21 5.676 9.663 -5.652 151 H ASN 22 HN ASN 22 2.305 8.122 -4.369 152 HA ASN 22 HA ASN 22 1.810 7.345 -7.186 153 1HB ASN 22 2HB ASN 22 1.324 5.810 -4.609 154 2HB ASN 22 3HB ASN 22 1.302 5.165 -6.245 155 1HD2 ASN 22 2HND ASN 22 4.847 5.622 -4.267 156 2HD2 ASN 22 1HND ASN 22 3.393 6.342 -3.619 157 H GLY 23 HN GLY 23 0.288 8.620 -4.378 158 1HA GLY 23 2HA GLY 23 -1.613 10.018 -5.066 159 2HA GLY 23 3HA GLY 23 -2.389 8.585 -5.748 160 H VAL 24 HN VAL 24 -0.725 7.854 -2.818 161 HA VAL 24 HA VAL 24 -3.345 7.681 -1.367 162 HB VAL 24 HB VAL 24 -0.778 6.115 -1.298 163 1HG1 VAL 24 2HG1 VAL 24 -3.189 5.910 0.523 164 2HG1 VAL 24 3HG1 VAL 24 -1.965 4.640 0.333 165 3HG1 VAL 24 1HG1 VAL 24 -1.497 6.211 1.001 166 1HG2 VAL 24 3HG2 VAL 24 -2.402 5.604 -3.138 167 2HG2 VAL 24 1HG2 VAL 24 -2.212 4.252 -2.005 168 3HG2 VAL 24 2HG2 VAL 24 -3.651 5.291 -1.921 169 H ASN 25 HN ASN 25 -3.593 9.304 0.031 170 HA ASN 25 HA ASN 25 -1.433 11.000 0.871 171 1HB ASN 25 2HB ASN 25 -4.359 10.694 1.631 172 2HB ASN 25 3HB ASN 25 -3.306 11.728 2.582 173 1HD2 ASN 25 2HND ASN 25 -3.989 12.852 -1.334 174 2HD2 ASN 25 1HND ASN 25 -4.035 11.149 -0.946 175 HA PRO 26 HA PRO 26 -0.086 8.831 4.556 176 1HB PRO 26 2HB PRO 26 0.288 10.923 6.356 177 2HB PRO 26 3HB PRO 26 1.456 10.370 5.139 178 1HG PRO 26 2HG PRO 26 -0.421 12.709 4.994 179 2HG PRO 26 3HG PRO 26 1.264 12.555 4.390 180 1HD PRO 26 2HD PRO 26 -0.965 12.375 2.768 181 2HD PRO 26 3HD PRO 26 0.553 11.493 2.425 182 H GLY 27 HN GLY 27 -0.909 8.097 6.419 183 1HA GLY 27 2HA GLY 27 -2.441 7.593 8.057 184 2HA GLY 27 3HA GLY 27 -3.305 9.109 7.737 185 H THR 28 HN THR 28 -2.693 6.830 4.981 186 HA THR 28 HA THR 28 -5.621 6.343 4.972 187 HB THR 28 HB THR 28 -3.434 5.981 2.870 188 HG1 THR 28 HG1 THR 28 -3.847 8.121 3.008 189 1HG2 THR 28 3HG2 THR 28 -6.453 5.698 2.763 190 2HG2 THR 28 1HG2 THR 28 -5.385 5.685 1.339 191 3HG2 THR 28 2HG2 THR 28 -5.241 4.406 2.564 192 H ASP 29 HN ASP 29 -6.246 4.516 5.805 193 HA ASP 29 HA ASP 29 -4.545 2.344 6.604 194 1HB ASP 29 2HB ASP 29 -6.871 2.946 7.452 195 2HB ASP 29 3HB ASP 29 -7.505 2.296 5.967 196 H PHE 30 HN PHE 30 -3.992 0.572 5.475 197 HA PHE 30 HA PHE 30 -3.941 0.401 2.683 198 1HB PHE 30 2HB PHE 30 -2.913 -1.081 4.580 199 2HB PHE 30 3HB PHE 30 -4.330 -2.097 4.351 200 HD1 PHE 30 HD2 PHE 30 -4.763 -2.877 1.811 201 HD2 PHE 30 HD1 PHE 30 -1.083 -1.154 3.207 202 HE1 PHE 30 HE2 PHE 30 -3.600 -3.628 -0.248 203 HE2 PHE 30 HE1 PHE 30 0.110 -2.123 1.242 204 HZ PHE 30 HZ PHE 30 -1.158 -3.383 -0.423 205 H LYS 31 HN LYS 31 -6.745 -0.384 4.827 206 HA LYS 31 HA LYS 31 -8.072 -1.881 2.686 207 1HB LYS 31 2HB LYS 31 -9.955 -1.966 4.100 208 2HB LYS 31 3HB LYS 31 -8.491 -2.254 5.062 209 1HG LYS 31 2HG LYS 31 -8.563 0.321 5.511 210 2HG LYS 31 3HG LYS 31 -10.174 0.267 4.868 211 1HD LYS 31 2HD LYS 31 -10.697 -1.513 6.618 212 2HD LYS 31 3HD LYS 31 -9.010 -1.347 7.166 213 1HE LYS 31 2HE LYS 31 -9.943 1.318 7.136 214 2HE LYS 31 3HE LYS 31 -11.358 0.425 7.696 215 1HZ LYS 31 3HNZ LYS 31 -9.889 -0.517 9.427 216 2HZ LYS 31 1HNZ LYS 31 -8.635 0.370 8.832 217 3HZ LYS 31 2HNZ LYS 31 -9.919 1.138 9.487 218 H ASP 32 HN ASP 32 -7.877 1.476 3.779 219 HA ASP 32 HA ASP 32 -10.194 2.445 2.329 220 1HB ASP 32 2HB ASP 32 -7.885 3.931 3.660 221 2HB ASP 32 3HB ASP 32 -9.378 4.652 3.063 222 H ILE 33 HN ILE 33 -6.803 1.763 1.546 223 HA ILE 33 HA ILE 33 -6.249 3.657 -0.362 224 HB ILE 33 HB ILE 33 -5.637 0.748 -0.166 225 1HG1 ILE 33 2HG1 ILE 33 -4.266 3.292 0.671 226 2HG1 ILE 33 3HG1 ILE 33 -4.790 2.025 1.705 227 1HG2 ILE 33 1HG2 ILE 33 -5.262 1.526 -2.465 228 2HG2 ILE 33 2HG2 ILE 33 -4.116 2.727 -1.794 229 3HG2 ILE 33 3HG2 ILE 33 -3.829 0.972 -1.608 230 1HD1 ILE 33 3HD1 ILE 33 -3.100 0.480 0.492 231 2HD1 ILE 33 1HD1 ILE 33 -2.392 2.000 -0.134 232 3HD1 ILE 33 2HD1 ILE 33 -2.487 1.696 1.609 233 HA PRO 34 HA PRO 34 -9.548 2.566 -3.271 234 1HB PRO 34 2HB PRO 34 -8.175 3.618 -5.572 235 2HB PRO 34 3HB PRO 34 -9.452 4.380 -4.603 236 1HG PRO 34 2HG PRO 34 -6.623 5.075 -4.703 237 2HG PRO 34 3HG PRO 34 -7.897 5.826 -3.705 238 1HD PRO 34 2HD PRO 34 -5.833 3.870 -2.891 239 2HD PRO 34 3HD PRO 34 -6.865 4.891 -1.876 240 H ASP 35 HN ASP 35 -9.836 0.646 -4.483 241 HA ASP 35 HA ASP 35 -7.517 -1.044 -4.757 242 1HB ASP 35 2HB ASP 35 -10.468 -1.299 -4.820 243 2HB ASP 35 3HB ASP 35 -9.628 -2.301 -5.975 244 H ASP 36 HN ASP 36 -8.619 1.421 -6.670 245 HA ASP 36 HA ASP 36 -7.658 0.560 -9.236 246 1HB ASP 36 2HB ASP 36 -8.868 2.853 -8.136 247 2HB ASP 36 3HB ASP 36 -7.344 3.324 -8.910 248 H TRP 37 HN TRP 37 -6.150 1.491 -6.247 249 HA TRP 37 HA TRP 37 -3.771 2.668 -7.381 250 1HB TRP 37 2HB TRP 37 -4.560 3.263 -5.134 251 2HB TRP 37 3HB TRP 37 -4.393 1.585 -4.638 252 HD1 TRP 37 HD TRP 37 -2.111 4.580 -5.424 253 HE1 TRP 37 HNE TRP 37 0.078 4.214 -4.143 254 HE3 TRP 37 HE TRP 37 -2.859 -0.217 -3.983 255 HZ2 TRP 37 HZ1 TRP 37 1.313 2.110 -2.562 256 HZ3 TRP 37 HZ2 TRP 37 -1.147 -1.424 -2.585 257 HH2 TRP 37 HH TRP 37 0.905 -0.247 -1.853 258 H VAL 38 HN VAL 38 -1.720 1.830 -7.395 259 HA VAL 38 HA VAL 38 -1.397 -1.117 -7.396 260 HB VAL 38 HB VAL 38 0.258 -0.615 -9.278 261 1HG1 VAL 38 2HG1 VAL 38 -2.711 -0.146 -9.810 262 2HG1 VAL 38 3HG1 VAL 38 -1.504 -0.588 -11.034 263 3HG1 VAL 38 1HG1 VAL 38 -1.888 -1.715 -9.726 264 1HG2 VAL 38 3HG2 VAL 38 0.351 1.873 -8.966 265 2HG2 VAL 38 1HG2 VAL 38 -0.022 1.370 -10.622 266 3HG2 VAL 38 2HG2 VAL 38 -1.315 1.978 -9.582 267 H CYS 39 HN CYN 39 0.740 -1.837 -6.923 268 HA CYS 39 HA CYN 39 2.006 -1.047 -4.734 269 1HB CYS 39 2HB CYN 39 2.964 -2.314 -7.273 270 2HB CYS 39 3HB CYN 39 4.150 -1.899 -6.029 271 HA PRO 40 HA PRO 40 3.866 2.833 -5.365 272 1HB PRO 40 2HB PRO 40 5.769 2.951 -3.410 273 2HB PRO 40 3HB PRO 40 4.018 2.839 -3.083 274 1HG PRO 40 2HG PRO 40 5.981 0.537 -3.145 275 2HG PRO 40 3HG PRO 40 4.835 0.973 -1.835 276 1HD PRO 40 2HD PRO 40 4.200 -0.886 -3.713 277 2HD PRO 40 3HD PRO 40 2.981 0.272 -3.109 278 H LEU 41 HN LEU 41 6.122 0.030 -5.457 279 HA LEU 41 HA LEU 41 7.526 1.370 -7.657 280 1HB LEU 41 2HB LEU 41 8.583 2.063 -5.410 281 2HB LEU 41 3HB LEU 41 9.083 0.382 -5.236 282 HG LEU 41 HG LEU 41 10.488 0.616 -7.297 283 1HD1 LEU 41 3HD1 LEU 41 9.429 3.478 -7.300 284 2HD1 LEU 41 1HD1 LEU 41 10.862 2.939 -8.201 285 3HD1 LEU 41 2HD1 LEU 41 9.280 2.278 -8.606 286 1HD2 LEU 41 1HD2 LEU 41 11.422 1.123 -5.078 287 2HD2 LEU 41 2HD2 LEU 41 12.148 2.140 -6.334 288 3HD2 LEU 41 3HD2 LEU 41 10.919 2.821 -5.246 289 H CYS 42 HN CYN 42 5.764 -0.826 -7.533 290 HA CYS 42 HA CYN 42 7.567 -2.999 -8.518 291 1HB CYS 42 2HB CYN 42 5.003 -3.765 -7.240 292 2HB CYS 42 3HB CYN 42 6.526 -4.627 -7.373 293 H GLY 43 HN GLY 43 4.232 -1.661 -8.602 294 1HA GLY 43 2HA GLY 43 2.966 -1.171 -10.470 295 2HA GLY 43 3HA GLY 43 4.162 -1.937 -11.518 296 H VAL 44 HN VAL 44 1.866 -2.885 -8.875 297 HA VAL 44 HA VAL 44 0.418 -4.655 -10.634 298 HB VAL 44 HB VAL 44 2.214 -6.155 -9.906 299 1HG1 VAL 44 3HG1 VAL 44 2.904 -5.068 -7.814 300 2HG1 VAL 44 1HG1 VAL 44 1.368 -5.536 -7.047 301 3HG1 VAL 44 2HG1 VAL 44 2.534 -6.773 -7.544 302 1HG2 VAL 44 3HG2 VAL 44 -0.109 -7.059 -10.139 303 2HG2 VAL 44 1HG2 VAL 44 0.923 -7.971 -9.021 304 3HG2 VAL 44 2HG2 VAL 44 -0.312 -6.885 -8.377 305 H GLY 45 HN GLY 45 -1.638 -5.316 -9.454 306 1HA GLY 45 2HA GLY 45 -2.730 -3.060 -7.996 307 2HA GLY 45 3HA GLY 45 -3.520 -4.605 -8.339 308 H LYS 46 HN LYS 46 -3.881 -3.381 -5.901 309 HA LYS 46 HA LYS 46 -2.248 -4.044 -3.726 310 1HB LYS 46 2HB LYS 46 -5.277 -4.098 -3.956 311 2HB LYS 46 3HB LYS 46 -4.367 -4.156 -2.431 312 1HG LYS 46 2HG LYS 46 -3.504 -1.947 -2.772 313 2HG LYS 46 3HG LYS 46 -4.212 -1.892 -4.416 314 1HD LYS 46 2HD LYS 46 -5.749 -0.676 -3.145 315 2HD LYS 46 3HD LYS 46 -6.455 -2.285 -3.337 316 1HE LYS 46 2HE LYS 46 -5.667 -2.883 -1.033 317 2HE LYS 46 3HE LYS 46 -5.071 -1.245 -0.853 318 1HZ LYS 46 2HNZ LYS 46 -7.906 -1.923 -1.431 319 2HZ LYS 46 3HNZ LYS 46 -7.295 -1.481 0.083 320 3HZ LYS 46 1HNZ LYS 46 -7.353 -0.430 -1.155 321 H ASP 47 HN ASP 47 -4.896 -6.021 -5.050 322 HA ASP 47 HA ASP 47 -5.705 -8.000 -4.232 323 1HB ASP 47 2HB ASP 47 -4.953 -8.305 -6.498 324 2HB ASP 47 3HB ASP 47 -3.335 -8.772 -5.937 325 H GLN 48 HN GLN 48 -5.546 -8.033 -2.057 326 HA GLN 48 HA GLN 48 -5.231 -9.024 -0.104 327 1HB GLN 48 2HB GLN 48 -4.874 -11.056 -1.645 328 2HB GLN 48 3HB GLN 48 -3.164 -10.946 -1.232 329 1HG GLN 48 2HG GLN 48 -5.391 -11.128 0.854 330 2HG GLN 48 3HG GLN 48 -4.700 -12.555 0.090 331 1HE2 GLN 48 2HNE GLN 48 -1.517 -12.312 1.764 332 2HE2 GLN 48 1HNE GLN 48 -2.252 -12.821 0.256 333 H PHE 49 HN PHE 49 -3.701 -9.048 1.783 334 HA PHE 49 HA PHE 49 -1.268 -7.547 1.626 335 1HB PHE 49 2HB PHE 49 -2.290 -5.354 2.443 336 2HB PHE 49 3HB PHE 49 -2.384 -5.751 0.762 337 HD1 PHE 49 HD2 PHE 49 -4.461 -5.571 3.851 338 HD2 PHE 49 HD1 PHE 49 -4.469 -6.009 -0.430 339 HE1 PHE 49 HE2 PHE 49 -6.833 -4.902 3.800 340 HE2 PHE 49 HE1 PHE 49 -6.873 -5.409 -0.478 341 HZ PHE 49 HZ PHE 49 -8.053 -4.813 1.631 342 H GLU 50 HN GLU 50 -0.341 -8.441 3.372 343 HA GLU 50 HA GLU 50 -1.995 -9.400 5.622 344 1HB GLU 50 2HB GLU 50 0.974 -9.579 4.987 345 2HB GLU 50 3HB GLU 50 0.212 -10.309 6.373 346 1HG GLU 50 2HG GLU 50 -1.204 -11.717 4.903 347 2HG GLU 50 3HG GLU 50 -0.559 -10.910 3.464 348 H GLU 51 HN GLU 51 -1.917 -8.397 7.714 349 HA GLU 51 HA GLU 51 -0.962 -5.653 7.735 350 1HB GLU 51 2HB GLU 51 -3.157 -6.239 8.648 351 2HB GLU 51 3HB GLU 51 -2.443 -7.463 9.716 352 1HG GLU 51 2HG GLU 51 -1.305 -5.909 10.964 353 2HG GLU 51 3HG GLU 51 -1.626 -4.553 9.851 354 H VAL 52 HN VAL 52 0.831 -4.905 8.900 355 HA VAL 52 HA VAL 52 2.699 -6.907 9.986 356 HB VAL 52 HB VAL 52 2.910 -4.150 8.701 357 1HG1 VAL 52 1HG1 VAL 52 5.046 -5.593 10.322 358 2HG1 VAL 52 2HG1 VAL 52 5.316 -4.172 9.277 359 3HG1 VAL 52 3HG1 VAL 52 4.281 -4.035 10.704 360 1HG2 VAL 52 1HG2 VAL 52 2.942 -6.126 7.244 361 2HG2 VAL 52 2HG2 VAL 52 4.457 -5.208 7.232 362 3HG2 VAL 52 3HG2 VAL 52 4.357 -6.744 8.127 363 H GLU 53 HN GLU 53 2.274 -7.162 12.083 364 HA GLU 53 HA GLU 53 0.767 -5.374 13.643 365 1HB GLU 53 2HB GLU 53 1.112 -7.036 15.361 366 2HB GLU 53 3HB GLU 53 0.512 -7.710 13.845 367 1HG GLU 53 2HG GLU 53 2.871 -8.525 13.356 368 2HG GLU 53 3HG GLU 53 3.361 -7.920 14.936 369 H GLU 54 HN GLU 54 2.456 -3.696 13.083 370 HA GLU 54 HA GLU 54 4.188 -3.164 15.444 371 1HB GLU 54 2HB GLU 54 3.317 -1.170 13.340 372 2HB GLU 54 3HB GLU 54 4.601 -1.014 14.538 373 1HG GLU 54 2HG GLU 54 5.249 -3.364 13.023 374 2HG GLU 54 3HG GLU 54 4.698 -2.152 11.860 No H/Q in entry = 374 Start of MODEL 4 1 1H MET 1 1HN MET 1 -5.693 -0.373 9.404 2 2H MET 1 2HN MET 1 -6.503 1.082 9.369 3 3H MET 1 3HN MET 1 -5.300 0.738 8.322 4 HA MET 1 HA MET 1 -4.968 1.140 11.222 5 1HB MET 1 2HB MET 1 -2.875 2.477 10.159 6 2HB MET 1 3HB MET 1 -3.888 2.481 8.743 7 1HG MET 1 2HG MET 1 -5.637 3.612 10.242 8 2HG MET 1 3HG MET 1 -4.425 3.578 11.528 9 1HE MET 1 2HE MET 1 -5.411 6.327 11.330 10 2HE MET 1 3HE MET 1 -3.861 5.970 12.142 11 3HE MET 1 1HE MET 1 -3.967 7.311 10.984 12 H LYS 2 HN LYS 2 -2.299 1.016 11.349 13 HA LYS 2 HA LYS 2 -0.475 -0.243 11.480 14 1HB LYS 2 2HB LYS 2 -2.121 -2.659 10.711 15 2HB LYS 2 3HB LYS 2 -0.600 -2.592 11.613 16 1HG LYS 2 2HG LYS 2 -1.877 -1.209 13.381 17 2HG LYS 2 3HG LYS 2 -3.368 -1.703 12.509 18 1HD LYS 2 2HD LYS 2 -2.429 -4.057 12.556 19 2HD LYS 2 3HD LYS 2 -1.244 -3.494 13.732 20 1HE LYS 2 2HE LYS 2 -4.312 -3.445 13.967 21 2HE LYS 2 3HE LYS 2 -3.258 -4.631 14.745 22 1HZ LYS 2 3HNZ LYS 2 -3.239 -1.732 15.291 23 2HZ LYS 2 1HNZ LYS 2 -3.893 -2.887 16.266 24 3HZ LYS 2 2HNZ LYS 2 -2.266 -2.848 16.013 25 H LYS 3 HN LYS 3 1.054 -1.682 10.264 26 HA LYS 3 HA LYS 3 1.150 -0.643 7.525 27 1HB LYS 3 2HB LYS 3 3.132 -2.254 9.166 28 2HB LYS 3 3HB LYS 3 3.440 -1.468 7.616 29 1HG LYS 3 2HG LYS 3 2.930 0.734 8.586 30 2HG LYS 3 3HG LYS 3 2.524 -0.007 10.124 31 1HD LYS 3 2HD LYS 3 4.823 -1.010 10.237 32 2HD LYS 3 3HD LYS 3 5.300 0.075 8.913 33 1HE LYS 3 2HE LYS 3 4.820 2.039 10.282 34 2HE LYS 3 3HE LYS 3 3.926 1.075 11.468 35 1HZ LYS 3 3HNZ LYS 3 6.812 0.757 11.080 36 2HZ LYS 3 1HNZ LYS 3 6.074 1.644 12.273 37 3HZ LYS 3 2HNZ LYS 3 5.823 0.051 12.202 38 H TYR 4 HN TYR 4 1.882 -2.139 5.849 39 HA TYR 4 HA TYR 4 0.844 -4.902 6.129 40 1HB TYR 4 2HB TYR 4 -0.276 -2.805 4.264 41 2HB TYR 4 3HB TYR 4 -0.295 -4.483 3.784 42 HD1 TYR 4 HD1 TYR 4 -1.590 -2.183 6.455 43 HD2 TYR 4 HD2 TYR 4 -1.928 -5.959 4.449 44 HE1 TYR 4 HE1 TYR 4 -3.363 -2.864 8.047 45 HE2 TYR 4 HE2 TYR 4 -3.841 -6.576 5.933 46 HH TYR 4 HOH TYR 4 -4.411 -5.026 8.903 47 H THR 5 HN THR 5 1.948 -6.382 4.941 48 HA THR 5 HA THR 5 4.052 -5.316 3.095 49 HB THR 5 HB THR 5 4.750 -6.849 4.862 50 HG1 THR 5 HG1 THR 5 6.154 -7.789 3.500 51 1HG2 THR 5 2HG2 THR 5 2.820 -8.396 4.907 52 2HG2 THR 5 3HG2 THR 5 3.265 -9.003 3.293 53 3HG2 THR 5 1HG2 THR 5 4.352 -9.248 4.668 54 H CYS 6 HN CYN 6 4.093 -5.622 0.966 55 HA CYS 6 HA CYN 6 1.691 -6.432 -0.497 56 1HB CYS 6 2HB CYN 6 2.883 -4.406 -1.021 57 2HB CYS 6 3HB CYN 6 4.386 -5.277 -1.263 58 H THR 7 HN THR 7 2.482 -8.619 0.890 59 HA THR 7 HA THR 7 3.400 -10.710 0.818 60 HB THR 7 HB THR 7 2.110 -10.560 -1.945 61 HG1 THR 7 HG1 THR 7 0.692 -9.691 -0.605 62 1HG2 THR 7 1HG2 THR 7 2.569 -12.809 0.074 63 2HG2 THR 7 2HG2 THR 7 1.226 -12.858 -1.072 64 3HG2 THR 7 3HG2 THR 7 2.870 -12.825 -1.681 65 H VAL 8 HN VAL 8 4.045 -11.383 -2.457 66 HA VAL 8 HA VAL 8 6.934 -11.420 -1.864 67 HB VAL 8 HB VAL 8 5.384 -12.538 -4.227 68 1HG1 VAL 8 1HG1 VAL 8 8.268 -12.984 -3.305 69 2HG1 VAL 8 2HG1 VAL 8 7.450 -13.877 -4.601 70 3HG1 VAL 8 3HG1 VAL 8 7.789 -12.161 -4.800 71 1HG2 VAL 8 2HG2 VAL 8 4.822 -13.697 -2.081 72 2HG2 VAL 8 3HG2 VAL 8 5.780 -14.726 -3.139 73 3HG2 VAL 8 1HG2 VAL 8 6.545 -13.916 -1.757 74 H CYS 9 HN CYN 9 6.704 -9.017 -1.749 75 HA CYS 9 HA CYN 9 7.553 -7.840 -4.386 76 1HB CYS 9 2HB CYN 9 5.304 -7.118 -3.905 77 2HB CYS 9 3HB CYN 9 5.772 -6.649 -2.264 78 H GLY 10 HN GLY 10 7.358 -6.784 -0.982 79 1HA GLY 10 2HA GLY 10 9.175 -6.687 0.577 80 2HA GLY 10 3HA GLY 10 10.341 -6.757 -0.748 81 H TYR 11 HN TYR 11 7.540 -4.740 0.224 82 HA TYR 11 HA TYR 11 9.201 -2.281 -0.108 83 1HB TYR 11 2HB TYR 11 7.521 -2.922 -2.024 84 2HB TYR 11 3HB TYR 11 6.288 -2.312 -0.939 85 HD1 TYR 11 HD2 TYR 11 6.864 0.133 0.113 86 HD2 TYR 11 HD1 TYR 11 8.523 -1.489 -3.529 87 HE1 TYR 11 HE2 TYR 11 7.555 2.403 -0.594 88 HE2 TYR 11 HE1 TYR 11 9.178 0.775 -4.235 89 HH TYR 11 HOH TYR 11 9.239 3.002 -3.694 90 H ILE 12 HN ILE 12 6.015 -3.378 1.002 91 HA ILE 12 HA ILE 12 4.872 -3.211 2.863 92 HB ILE 12 HB ILE 12 7.400 -2.228 4.188 93 1HG1 ILE 12 2HG1 ILE 12 5.575 -4.610 4.680 94 2HG1 ILE 12 3HG1 ILE 12 6.921 -4.666 3.536 95 1HG2 ILE 12 2HG2 ILE 12 4.629 -2.388 5.442 96 2HG2 ILE 12 3HG2 ILE 12 6.147 -2.233 6.343 97 3HG2 ILE 12 1HG2 ILE 12 5.635 -0.931 5.295 98 1HD1 ILE 12 3HD1 ILE 12 8.502 -4.150 5.376 99 2HD1 ILE 12 1HD1 ILE 12 7.154 -4.214 6.538 100 3HD1 ILE 12 2HD1 ILE 12 7.599 -5.658 5.621 101 H TYR 13 HN TYR 13 3.192 -2.012 2.962 102 HA TYR 13 HA TYR 13 3.244 0.860 2.270 103 1HB TYR 13 2HB TYR 13 1.496 -0.593 1.334 104 2HB TYR 13 3HB TYR 13 1.036 -1.104 2.964 105 HD1 TYR 13 HD1 TYR 13 -0.206 0.409 4.468 106 HD2 TYR 13 HD2 TYR 13 0.612 1.447 0.408 107 HE1 TYR 13 HE1 TYR 13 -1.697 2.376 4.637 108 HE2 TYR 13 HE2 TYR 13 -0.362 3.727 0.785 109 HH TYR 13 HOH TYR 13 -2.378 4.425 3.688 110 H ASN 14 HN ASN 14 3.181 2.401 3.854 111 HA ASN 14 HA ASN 14 2.551 1.622 6.668 112 1HB ASN 14 2HB ASN 14 4.975 2.224 6.353 113 2HB ASN 14 3HB ASN 14 4.472 3.793 5.735 114 1HD2 ASN 14 2HND ASN 14 5.207 4.298 9.300 115 2HD2 ASN 14 1HND ASN 14 5.851 4.469 7.683 116 HA PRO 15 HA PRO 15 -0.691 4.409 5.437 117 1HB PRO 15 2HB PRO 15 -2.198 4.378 7.773 118 2HB PRO 15 3HB PRO 15 -2.319 3.127 6.534 119 1HG PRO 15 2HG PRO 15 -0.840 3.031 9.133 120 2HG PRO 15 3HG PRO 15 -1.646 1.716 8.219 121 1HD PRO 15 2HD PRO 15 1.055 2.156 8.334 122 2HD PRO 15 3HD PRO 15 0.297 1.242 7.034 123 H GLU 16 HN GLU 16 1.036 4.712 8.549 124 HA GLU 16 HA GLU 16 0.164 7.340 9.123 125 1HB GLU 16 2HB GLU 16 2.761 5.906 9.791 126 2HB GLU 16 3HB GLU 16 2.185 7.414 10.490 127 1HG GLU 16 2HG GLU 16 0.004 6.061 11.078 128 2HG GLU 16 3HG GLU 16 0.987 4.620 10.764 129 H ASP 17 HN ASP 17 2.505 6.082 6.863 130 HA ASP 17 HA ASP 17 3.616 8.788 6.224 131 1HB ASP 17 2HB ASP 17 4.293 5.972 5.346 132 2HB ASP 17 3HB ASP 17 5.020 7.411 4.629 133 H GLY 18 HN GLY 18 1.404 6.272 5.035 134 1HA GLY 18 2HA GLY 18 0.080 6.140 3.263 135 2HA GLY 18 3HA GLY 18 0.278 7.878 2.950 136 H ASP 19 HN ASP 19 0.402 7.393 0.709 137 HA ASP 19 HA ASP 19 3.140 6.959 -0.227 138 1HB ASP 19 2HB ASP 19 0.906 5.041 -0.777 139 2HB ASP 19 3HB ASP 19 1.749 5.582 -2.212 140 HA PRO 20 HA PRO 20 0.299 10.417 -1.609 141 1HB PRO 20 2HB PRO 20 2.025 12.546 -1.179 142 2HB PRO 20 3HB PRO 20 0.849 11.906 0.011 143 1HG PRO 20 2HG PRO 20 3.804 11.315 -0.211 144 2HG PRO 20 3HG PRO 20 2.850 11.627 1.269 145 1HD PRO 20 2HD PRO 20 3.523 9.112 0.509 146 2HD PRO 20 3HD PRO 20 1.926 9.446 1.229 147 H ASP 21 HN ASP 21 3.792 9.876 -2.316 148 HA ASP 21 HA ASP 21 4.067 11.290 -4.658 149 1HB ASP 21 2HB ASP 21 5.191 8.580 -3.778 150 2HB ASP 21 3HB ASP 21 5.859 9.595 -5.059 151 H ASN 22 HN ASN 22 2.402 8.301 -3.991 152 HA ASN 22 HA ASN 22 2.030 7.592 -6.848 153 1HB ASN 22 2HB ASN 22 1.290 6.091 -4.327 154 2HB ASN 22 3HB ASN 22 1.314 5.430 -5.960 155 1HD2 ASN 22 2HND ASN 22 4.697 5.621 -3.665 156 2HD2 ASN 22 1HND ASN 22 3.290 6.528 -3.222 157 H GLY 23 HN GLY 23 0.405 8.793 -4.053 158 1HA GLY 23 2HA GLY 23 -1.388 10.343 -4.827 159 2HA GLY 23 3HA GLY 23 -2.194 8.949 -5.553 160 H VAL 24 HN VAL 24 -0.699 8.158 -2.530 161 HA VAL 24 HA VAL 24 -3.397 8.093 -1.220 162 HB VAL 24 HB VAL 24 -0.928 6.377 -1.049 163 1HG1 VAL 24 1HG1 VAL 24 -3.440 6.330 0.645 164 2HG1 VAL 24 2HG1 VAL 24 -2.321 4.962 0.494 165 3HG1 VAL 24 3HG1 VAL 24 -1.751 6.481 1.206 166 1HG2 VAL 24 3HG2 VAL 24 -2.518 6.017 -2.974 167 2HG2 VAL 24 1HG2 VAL 24 -2.411 4.625 -1.876 168 3HG2 VAL 24 2HG2 VAL 24 -3.812 5.717 -1.805 169 H ASN 25 HN ASN 25 -3.637 9.676 0.223 170 HA ASN 25 HA ASN 25 -1.457 11.252 1.195 171 1HB ASN 25 2HB ASN 25 -4.419 11.035 1.836 172 2HB ASN 25 3HB ASN 25 -3.373 11.987 2.877 173 1HD2 ASN 25 2HND ASN 25 -3.860 13.293 -1.010 174 2HD2 ASN 25 1HND ASN 25 -4.027 11.585 -0.684 175 HA PRO 26 HA PRO 26 -0.259 8.977 4.846 176 1HB PRO 26 2HB PRO 26 0.143 11.004 6.705 177 2HB PRO 26 3HB PRO 26 1.310 10.469 5.479 178 1HG PRO 26 2HG PRO 26 -0.536 12.841 5.390 179 2HG PRO 26 3HG PRO 26 1.154 12.689 4.797 180 1HD PRO 26 2HD PRO 26 -1.054 12.586 3.150 181 2HD PRO 26 3HD PRO 26 0.458 11.698 2.796 182 H GLY 27 HN GLY 27 -1.116 8.214 6.697 183 1HA GLY 27 2HA GLY 27 -2.695 7.679 8.246 184 2HA GLY 27 3HA GLY 27 -3.496 9.241 8.001 185 H THR 28 HN THR 28 -2.970 7.218 5.041 186 HA THR 28 HA THR 28 -5.891 6.842 5.012 187 HB THR 28 HB THR 28 -3.725 6.316 2.946 188 HG1 THR 28 HG1 THR 28 -4.049 8.487 3.132 189 1HG2 THR 28 2HG2 THR 28 -6.772 6.122 2.869 190 2HG2 THR 28 3HG2 THR 28 -5.726 6.125 1.425 191 3HG2 THR 28 1HG2 THR 28 -5.577 4.827 2.624 192 H ASP 29 HN ASP 29 -6.628 5.088 5.889 193 HA ASP 29 HA ASP 29 -5.188 2.771 6.682 194 1HB ASP 29 2HB ASP 29 -7.548 3.564 7.343 195 2HB ASP 29 3HB ASP 29 -8.093 2.899 5.820 196 H PHE 30 HN PHE 30 -4.586 1.023 5.560 197 HA PHE 30 HA PHE 30 -4.395 0.770 2.802 198 1HB PHE 30 2HB PHE 30 -3.481 -0.665 4.798 199 2HB PHE 30 3HB PHE 30 -4.939 -1.629 4.579 200 HD1 PHE 30 HD1 PHE 30 -5.379 -2.440 2.047 201 HD2 PHE 30 HD2 PHE 30 -1.583 -1.140 3.594 202 HE1 PHE 30 HE1 PHE 30 -4.255 -3.287 0.035 203 HE2 PHE 30 HE2 PHE 30 -0.456 -2.083 1.577 204 HZ PHE 30 HZ PHE 30 -1.802 -3.045 -0.222 205 H LYS 31 HN LYS 31 -7.289 0.115 4.907 206 HA LYS 31 HA LYS 31 -8.551 -1.441 2.795 207 1HB LYS 31 2HB LYS 31 -10.477 -1.476 4.131 208 2HB LYS 31 3HB LYS 31 -9.065 -1.665 5.194 209 1HG LYS 31 2HG LYS 31 -9.181 0.894 5.498 210 2HG LYS 31 3HG LYS 31 -10.714 0.810 4.666 211 1HD LYS 31 2HD LYS 31 -11.531 -0.783 6.421 212 2HD LYS 31 3HD LYS 31 -9.937 -0.685 7.191 213 1HE LYS 31 2HE LYS 31 -11.544 0.810 8.368 214 2HE LYS 31 3HE LYS 31 -10.211 1.716 7.648 215 1HZ LYS 31 3HNZ LYS 31 -11.638 2.326 5.814 216 2HZ LYS 31 1HNZ LYS 31 -12.903 1.527 6.472 217 3HZ LYS 31 2HNZ LYS 31 -12.219 2.839 7.215 218 H ASP 32 HN ASP 32 -8.342 1.940 3.694 219 HA ASP 32 HA ASP 32 -10.572 2.822 2.019 220 1HB ASP 32 2HB ASP 32 -8.606 4.230 3.880 221 2HB ASP 32 3HB ASP 32 -9.872 5.060 3.002 222 H ILE 33 HN ILE 33 -7.165 2.179 1.539 223 HA ILE 33 HA ILE 33 -6.486 4.090 -0.297 224 HB ILE 33 HB ILE 33 -5.934 1.163 -0.196 225 1HG1 ILE 33 2HG1 ILE 33 -4.551 3.652 0.798 226 2HG1 ILE 33 3HG1 ILE 33 -5.167 2.394 1.788 227 1HG2 ILE 33 1HG2 ILE 33 -5.429 2.110 -2.430 228 2HG2 ILE 33 2HG2 ILE 33 -4.287 3.202 -1.599 229 3HG2 ILE 33 3HG2 ILE 33 -4.082 1.426 -1.515 230 1HD1 ILE 33 3HD1 ILE 33 -3.484 0.800 0.607 231 2HD1 ILE 33 1HD1 ILE 33 -2.694 2.303 0.050 232 3HD1 ILE 33 2HD1 ILE 33 -2.872 1.963 1.776 233 HA PRO 34 HA PRO 34 -9.598 3.237 -3.522 234 1HB PRO 34 2HB PRO 34 -7.605 4.142 -5.511 235 2HB PRO 34 3HB PRO 34 -9.176 4.878 -5.099 236 1HG PRO 34 2HG PRO 34 -6.705 5.975 -4.443 237 2HG PRO 34 3HG PRO 34 -8.210 6.264 -3.524 238 1HD PRO 34 2HD PRO 34 -5.930 4.418 -2.814 239 2HD PRO 34 3HD PRO 34 -7.019 5.367 -1.781 240 H ASP 35 HN ASP 35 -9.978 1.341 -4.883 241 HA ASP 35 HA ASP 35 -7.910 -0.649 -5.041 242 1HB ASP 35 2HB ASP 35 -10.796 -0.304 -5.915 243 2HB ASP 35 3HB ASP 35 -9.815 -1.626 -6.475 244 H ASP 36 HN ASP 36 -8.637 2.116 -7.013 245 HA ASP 36 HA ASP 36 -7.328 1.043 -9.385 246 1HB ASP 36 2HB ASP 36 -7.513 3.453 -10.080 247 2HB ASP 36 3HB ASP 36 -9.062 2.701 -9.670 248 H TRP 37 HN TRP 37 -6.196 2.023 -6.296 249 HA TRP 37 HA TRP 37 -3.783 3.365 -7.234 250 1HB TRP 37 2HB TRP 37 -4.684 3.834 -5.024 251 2HB TRP 37 3HB TRP 37 -4.545 2.129 -4.596 252 HD1 TRP 37 HD TRP 37 -2.167 5.070 -5.301 253 HE1 TRP 37 HNE TRP 37 0.011 4.619 -4.014 254 HE3 TRP 37 HE TRP 37 -3.149 0.366 -3.708 255 HZ2 TRP 37 HZ1 TRP 37 1.181 2.472 -2.455 256 HZ3 TRP 37 HZ2 TRP 37 -1.481 -0.907 -2.326 257 HH2 TRP 37 HH TRP 37 0.685 0.143 -1.726 258 H VAL 38 HN VAL 38 -1.627 2.447 -6.905 259 HA VAL 38 HA VAL 38 -1.474 -0.442 -7.578 260 HB VAL 38 HB VAL 38 -0.005 1.819 -8.999 261 1HG1 VAL 38 1HG1 VAL 38 1.013 -0.524 -9.061 262 2HG1 VAL 38 2HG1 VAL 38 -0.495 -1.047 -9.850 263 3HG1 VAL 38 3HG1 VAL 38 0.561 0.127 -10.643 264 1HG2 VAL 38 2HG2 VAL 38 -2.562 0.358 -9.811 265 2HG2 VAL 38 3HG2 VAL 38 -2.351 2.110 -9.592 266 3HG2 VAL 38 1HG2 VAL 38 -1.556 1.291 -10.937 267 H CYS 39 HN CYN 39 0.467 -1.433 -6.868 268 HA CYS 39 HA CYN 39 1.724 -0.249 -4.583 269 1HB CYS 39 2HB CYN 39 1.362 -2.583 -4.617 270 2HB CYS 39 3HB CYN 39 2.158 -2.769 -6.183 271 HA PRO 40 HA PRO 40 4.920 1.882 -6.909 272 1HB PRO 40 2HB PRO 40 6.794 2.326 -4.945 273 2HB PRO 40 3HB PRO 40 5.250 3.209 -5.056 274 1HG PRO 40 2HG PRO 40 5.845 0.784 -3.348 275 2HG PRO 40 3HG PRO 40 5.086 2.325 -2.835 276 1HD PRO 40 2HD PRO 40 3.632 0.137 -3.445 277 2HD PRO 40 3HD PRO 40 3.065 1.754 -3.960 278 H LEU 41 HN LEU 41 6.336 0.976 -8.287 279 HA LEU 41 HA LEU 41 7.963 -0.296 -9.215 280 1HB LEU 41 2HB LEU 41 9.075 -0.689 -6.410 281 2HB LEU 41 3HB LEU 41 9.933 -0.824 -7.943 282 HG LEU 41 HG LEU 41 8.848 1.719 -6.669 283 1HD1 LEU 41 2HD1 LEU 41 10.962 0.763 -5.726 284 2HD1 LEU 41 3HD1 LEU 41 11.684 0.818 -7.341 285 3HD1 LEU 41 1HD1 LEU 41 11.219 2.325 -6.524 286 1HD2 LEU 41 1HD2 LEU 41 10.216 1.315 -9.372 287 2HD2 LEU 41 2HD2 LEU 41 8.579 1.955 -9.097 288 3HD2 LEU 41 3HD2 LEU 41 9.986 2.889 -8.581 289 H CYS 42 HN CYN 42 5.600 -1.667 -8.909 290 HA CYS 42 HA CYN 42 6.509 -4.451 -8.605 291 1HB CYS 42 2HB CYN 42 5.684 -3.524 -6.400 292 2HB CYS 42 3HB CYN 42 4.107 -3.305 -7.183 293 H GLY 43 HN GLY 43 4.302 -5.749 -9.097 294 1HA GLY 43 2HA GLY 43 3.021 -4.603 -11.552 295 2HA GLY 43 3HA GLY 43 3.328 -6.329 -11.283 296 H VAL 44 HN VAL 44 0.784 -5.560 -11.802 297 HA VAL 44 HA VAL 44 -1.302 -5.326 -11.140 298 HB VAL 44 HB VAL 44 -0.737 -7.703 -10.634 299 1HG1 VAL 44 1HG1 VAL 44 -0.835 -6.867 -7.711 300 2HG1 VAL 44 2HG1 VAL 44 -1.079 -8.507 -8.309 301 3HG1 VAL 44 3HG1 VAL 44 0.460 -7.695 -8.586 302 1HG2 VAL 44 2HG2 VAL 44 -2.968 -6.958 -11.035 303 2HG2 VAL 44 3HG2 VAL 44 -2.957 -8.199 -9.775 304 3HG2 VAL 44 1HG2 VAL 44 -3.197 -6.497 -9.348 305 H GLY 45 HN GLY 45 -2.205 -5.436 -8.013 306 1HA GLY 45 2HA GLY 45 -1.241 -2.712 -7.367 307 2HA GLY 45 3HA GLY 45 -2.951 -2.898 -7.806 308 H LYS 46 HN LYS 46 -3.818 -2.479 -5.740 309 HA LYS 46 HA LYS 46 -2.809 -4.017 -3.438 310 1HB LYS 46 2HB LYS 46 -4.315 -2.935 -2.104 311 2HB LYS 46 3HB LYS 46 -3.629 -1.713 -3.160 312 1HG LYS 46 2HG LYS 46 -5.733 -1.837 -4.557 313 2HG LYS 46 3HG LYS 46 -6.419 -2.943 -3.351 314 1HD LYS 46 2HD LYS 46 -5.576 -0.101 -2.824 315 2HD LYS 46 3HD LYS 46 -7.215 -0.698 -3.031 316 1HE LYS 46 2HE LYS 46 -6.258 -2.396 -1.024 317 2HE LYS 46 3HE LYS 46 -5.465 -0.882 -0.664 318 1HZ LYS 46 1HNZ LYS 46 -7.809 0.115 -0.933 319 2HZ LYS 46 2HNZ LYS 46 -8.367 -1.408 -0.857 320 3HZ LYS 46 3HNZ LYS 46 -7.492 -0.755 0.421 321 H ASP 47 HN ASP 47 -3.262 -6.135 -3.394 322 HA ASP 47 HA ASP 47 -6.029 -7.072 -3.637 323 1HB ASP 47 2HB ASP 47 -5.242 -8.855 -5.331 324 2HB ASP 47 3HB ASP 47 -5.618 -7.230 -5.914 325 H GLN 48 HN GLN 48 -2.746 -8.485 -3.765 326 HA GLN 48 HA GLN 48 -3.405 -10.149 -1.394 327 1HB GLN 48 2HB GLN 48 -2.521 -10.896 -3.746 328 2HB GLN 48 3HB GLN 48 -0.952 -10.389 -3.157 329 1HG GLN 48 2HG GLN 48 -0.740 -12.352 -2.089 330 2HG GLN 48 3HG GLN 48 -2.145 -12.018 -1.081 331 1HE2 GLN 48 2HNE GLN 48 -4.392 -13.829 -3.356 332 2HE2 GLN 48 1HNE GLN 48 -4.353 -12.331 -2.440 333 H PHE 49 HN PHE 49 -3.067 -8.815 0.435 334 HA PHE 49 HA PHE 49 -0.287 -7.973 0.933 335 1HB PHE 49 2HB PHE 49 -1.213 -5.812 1.912 336 2HB PHE 49 3HB PHE 49 -1.183 -5.903 0.164 337 HD1 PHE 49 HD2 PHE 49 -3.280 -6.379 -1.139 338 HD2 PHE 49 HD1 PHE 49 -3.319 -5.222 2.977 339 HE1 PHE 49 HE2 PHE 49 -5.743 -6.023 -1.246 340 HE2 PHE 49 HE1 PHE 49 -5.766 -5.046 2.947 341 HZ PHE 49 HZ PHE 49 -6.998 -5.414 0.809 342 H GLU 50 HN GLU 50 0.344 -8.304 3.053 343 HA GLU 50 HA GLU 50 -1.681 -9.477 4.941 344 1HB GLU 50 2HB GLU 50 1.273 -10.058 4.451 345 2HB GLU 50 3HB GLU 50 0.520 -10.357 6.012 346 1HG GLU 50 2HG GLU 50 -1.250 -11.721 4.742 347 2HG GLU 50 3HG GLU 50 -0.192 -11.606 3.326 348 H GLU 51 HN GLU 51 -1.338 -8.898 7.285 349 HA GLU 51 HA GLU 51 -0.753 -6.072 7.496 350 1HB GLU 51 2HB GLU 51 -2.763 -7.037 8.482 351 2HB GLU 51 3HB GLU 51 -1.806 -8.211 9.402 352 1HG GLU 51 2HG GLU 51 -0.869 -6.642 10.741 353 2HG GLU 51 3HG GLU 51 -1.313 -5.241 9.732 354 H VAL 52 HN VAL 52 0.913 -5.179 8.727 355 HA VAL 52 HA VAL 52 3.161 -6.924 9.578 356 HB VAL 52 HB VAL 52 2.909 -4.175 8.308 357 1HG1 VAL 52 1HG1 VAL 52 5.343 -5.365 9.664 358 2HG1 VAL 52 2HG1 VAL 52 5.344 -3.918 8.622 359 3HG1 VAL 52 3HG1 VAL 52 4.445 -3.897 10.146 360 1HG2 VAL 52 2HG2 VAL 52 3.051 -6.184 6.853 361 2HG2 VAL 52 3HG2 VAL 52 4.334 -4.965 6.661 362 3HG2 VAL 52 1HG2 VAL 52 4.668 -6.492 7.525 363 H GLU 53 HN GLU 53 2.846 -7.178 11.746 364 HA GLU 53 HA GLU 53 1.464 -5.268 13.369 365 1HB GLU 53 2HB GLU 53 1.835 -6.891 15.077 366 2HB GLU 53 3HB GLU 53 1.085 -7.579 13.635 367 1HG GLU 53 2HG GLU 53 3.349 -8.566 13.018 368 2HG GLU 53 3HG GLU 53 3.985 -7.948 14.539 369 H GLU 54 HN GLU 54 3.292 -3.747 12.548 370 HA GLU 54 HA GLU 54 4.732 -2.934 14.921 371 1HB GLU 54 2HB GLU 54 6.980 -2.793 13.826 372 2HB GLU 54 3HB GLU 54 6.463 -4.443 14.187 373 1HG GLU 54 2HG GLU 54 5.874 -4.850 11.877 374 2HG GLU 54 3HG GLU 54 6.182 -3.148 11.450 No H/Q in entry = 374 Start of MODEL 5 1 1H MET 1 1HN MET 1 -5.791 -0.727 9.422 2 2H MET 1 2HN MET 1 -6.674 0.703 9.343 3 3H MET 1 3HN MET 1 -5.548 0.370 8.259 4 HA MET 1 HA MET 1 -5.139 0.933 11.137 5 1HB MET 1 2HB MET 1 -3.256 2.472 10.146 6 2HB MET 1 3HB MET 1 -4.065 2.204 8.607 7 1HG MET 1 2HG MET 1 -6.143 3.039 9.704 8 2HG MET 1 3HG MET 1 -5.233 3.410 11.158 9 1HE MET 1 3HE MET 1 -3.545 5.370 11.444 10 2HE MET 1 1HE MET 1 -2.506 4.745 10.143 11 3HE MET 1 2HE MET 1 -3.024 6.440 10.130 12 H LYS 2 HN LYS 2 -2.546 1.049 11.335 13 HA LYS 2 HA LYS 2 -0.565 0.008 11.507 14 1HB LYS 2 2HB LYS 2 -1.946 -2.570 10.811 15 2HB LYS 2 3HB LYS 2 -0.461 -2.356 11.742 16 1HG LYS 2 2HG LYS 2 -1.744 -1.268 13.575 17 2HG LYS 2 3HG LYS 2 -3.258 -1.535 12.655 18 1HD LYS 2 2HD LYS 2 -2.605 -3.905 12.366 19 2HD LYS 2 3HD LYS 2 -1.303 -3.702 13.533 20 1HE LYS 2 2HE LYS 2 -4.304 -3.284 14.001 21 2HE LYS 2 3HE LYS 2 -3.433 -4.775 14.369 22 1HZ LYS 2 1HNZ LYS 2 -2.848 -2.166 15.611 23 2HZ LYS 2 2HNZ LYS 2 -3.661 -3.410 16.327 24 3HZ LYS 2 3HNZ LYS 2 -2.073 -3.583 15.924 25 H LYS 3 HN LYS 3 1.021 -1.521 10.353 26 HA LYS 3 HA LYS 3 1.147 -0.568 7.589 27 1HB LYS 3 2HB LYS 3 3.088 -2.115 9.342 28 2HB LYS 3 3HB LYS 3 3.426 -1.447 7.741 29 1HG LYS 3 2HG LYS 3 2.850 0.837 8.569 30 2HG LYS 3 3HG LYS 3 2.497 0.199 10.151 31 1HD LYS 3 2HD LYS 3 4.626 1.188 10.310 32 2HD LYS 3 3HD LYS 3 4.784 -0.553 10.479 33 1HE LYS 3 2HE LYS 3 5.163 0.000 7.687 34 2HE LYS 3 3HE LYS 3 6.005 1.289 8.551 35 1HZ LYS 3 1HNZ LYS 3 7.131 -0.427 9.851 36 2HZ LYS 3 2HNZ LYS 3 6.422 -1.591 8.991 37 3HZ LYS 3 3HNZ LYS 3 7.474 -0.559 8.245 38 H TYR 4 HN TYR 4 1.910 -2.116 5.952 39 HA TYR 4 HA TYR 4 0.852 -4.867 6.260 40 1HB TYR 4 2HB TYR 4 -0.164 -2.805 4.308 41 2HB TYR 4 3HB TYR 4 -0.298 -4.514 3.945 42 HD1 TYR 4 HD2 TYR 4 -1.594 -1.827 6.138 43 HD2 TYR 4 HD1 TYR 4 -1.872 -5.941 4.977 44 HE1 TYR 4 HE2 TYR 4 -3.707 -2.036 7.386 45 HE2 TYR 4 HE1 TYR 4 -3.805 -6.254 6.513 46 HH TYR 4 HOH TYR 4 -5.210 -5.166 8.076 47 H THR 5 HN THR 5 1.746 -6.383 4.735 48 HA THR 5 HA THR 5 4.198 -5.599 3.374 49 HB THR 5 HB THR 5 4.227 -7.954 2.698 50 HG1 THR 5 HG1 THR 5 2.464 -9.129 2.746 51 1HG2 THR 5 2HG2 THR 5 4.845 -7.388 5.087 52 2HG2 THR 5 3HG2 THR 5 3.188 -7.828 5.563 53 3HG2 THR 5 1HG2 THR 5 4.250 -9.044 4.846 54 H CYS 6 HN CYN 6 4.555 -6.211 1.097 55 HA CYS 6 HA CYN 6 2.416 -5.557 -0.825 56 1HB CYS 6 2HB CYN 6 4.672 -4.775 -1.215 57 2HB CYS 6 3HB CYN 6 5.302 -6.436 -1.092 58 H THR 7 HN THR 7 4.544 -8.332 0.061 59 HA THR 7 HA THR 7 4.441 -10.526 -0.332 60 HB THR 7 HB THR 7 1.439 -10.085 -0.126 61 HG1 THR 7 HG1 THR 7 2.443 -11.143 2.023 62 1HG2 THR 7 2HG2 THR 7 3.048 -12.664 0.054 63 2HG2 THR 7 3HG2 THR 7 1.422 -12.453 0.733 64 3HG2 THR 7 1HG2 THR 7 1.652 -12.323 -0.999 65 H VAL 8 HN VAL 8 4.391 -8.519 -2.626 66 HA VAL 8 HA VAL 8 4.293 -10.691 -4.667 67 HB VAL 8 HB VAL 8 3.667 -7.753 -5.151 68 1HG1 VAL 8 3HG1 VAL 8 3.829 -10.105 -7.070 69 2HG1 VAL 8 1HG1 VAL 8 3.218 -8.480 -7.458 70 3HG1 VAL 8 2HG1 VAL 8 4.918 -8.698 -7.027 71 1HG2 VAL 8 3HG2 VAL 8 1.926 -10.250 -5.302 72 2HG2 VAL 8 1HG2 VAL 8 1.769 -8.940 -4.113 73 3HG2 VAL 8 2HG2 VAL 8 1.447 -8.619 -5.818 74 H CYS 9 HN CYN 9 5.781 -7.393 -4.222 75 HA CYS 9 HA CYN 9 8.376 -8.570 -5.053 76 1HB CYS 9 2HB CYN 9 9.125 -6.283 -5.243 77 2HB CYS 9 3HB CYN 9 7.695 -6.618 -6.230 78 H GLY 10 HN GLY 10 7.246 -6.356 -2.495 79 1HA GLY 10 2HA GLY 10 7.834 -7.357 -0.116 80 2HA GLY 10 3HA GLY 10 9.488 -7.213 -0.728 81 H TYR 11 HN TYR 11 6.674 -5.013 -1.163 82 HA TYR 11 HA TYR 11 8.244 -2.786 0.017 83 1HB TYR 11 2HB TYR 11 7.090 -3.053 -2.475 84 2HB TYR 11 3HB TYR 11 5.828 -2.201 -1.626 85 HD1 TYR 11 HD1 TYR 11 6.583 -0.045 -0.290 86 HD2 TYR 11 HD2 TYR 11 8.902 -1.944 -3.392 87 HE1 TYR 11 HE1 TYR 11 7.744 2.094 -0.734 88 HE2 TYR 11 HE2 TYR 11 10.139 0.158 -3.753 89 HH TYR 11 HOH TYR 11 9.232 3.200 -2.104 90 H ILE 12 HN ILE 12 7.675 -2.663 2.199 91 HA ILE 12 HA ILE 12 4.972 -3.295 3.037 92 HB ILE 12 HB ILE 12 7.450 -2.361 4.448 93 1HG1 ILE 12 2HG1 ILE 12 5.477 -4.612 5.012 94 2HG1 ILE 12 3HG1 ILE 12 6.776 -4.786 3.830 95 1HG2 ILE 12 3HG2 ILE 12 4.640 -2.334 5.652 96 2HG2 ILE 12 1HG2 ILE 12 6.132 -2.294 6.599 97 3HG2 ILE 12 2HG2 ILE 12 5.752 -0.956 5.529 98 1HD1 ILE 12 2HD1 ILE 12 7.203 -4.238 6.795 99 2HD1 ILE 12 3HD1 ILE 12 7.401 -5.782 5.957 100 3HD1 ILE 12 1HD1 ILE 12 8.469 -4.423 5.557 101 H TYR 13 HN TYR 13 3.270 -2.044 3.057 102 HA TYR 13 HA TYR 13 3.387 0.827 2.374 103 1HB TYR 13 2HB TYR 13 1.627 -0.595 1.409 104 2HB TYR 13 3HB TYR 13 1.142 -1.098 3.034 105 HD1 TYR 13 HD1 TYR 13 -0.177 0.361 4.479 106 HD2 TYR 13 HD2 TYR 13 0.795 1.482 0.484 107 HE1 TYR 13 HE1 TYR 13 -1.676 2.327 4.648 108 HE2 TYR 13 HE2 TYR 13 -0.259 3.729 0.845 109 HH TYR 13 HOH TYR 13 -2.363 4.408 3.687 110 H ASN 14 HN ASN 14 3.080 2.441 3.898 111 HA ASN 14 HA ASN 14 2.440 1.677 6.699 112 1HB ASN 14 2HB ASN 14 4.865 2.272 6.439 113 2HB ASN 14 3HB ASN 14 4.383 3.842 5.812 114 1HD2 ASN 14 2HND ASN 14 5.075 4.316 9.411 115 2HD2 ASN 14 1HND ASN 14 5.765 4.456 7.804 116 HA PRO 15 HA PRO 15 -0.777 4.435 5.443 117 1HB PRO 15 2HB PRO 15 -2.328 4.406 7.764 118 2HB PRO 15 3HB PRO 15 -2.410 3.163 6.513 119 1HG PRO 15 2HG PRO 15 -0.972 3.062 9.139 120 2HG PRO 15 3HG PRO 15 -1.770 1.755 8.219 121 1HD PRO 15 2HD PRO 15 0.933 2.190 8.361 122 2HD PRO 15 3HD PRO 15 0.200 1.280 7.042 123 H GLU 16 HN GLU 16 0.899 4.815 8.583 124 HA GLU 16 HA GLU 16 -0.024 7.464 9.039 125 1HB GLU 16 2HB GLU 16 2.518 6.037 9.898 126 2HB GLU 16 3HB GLU 16 1.948 7.598 10.477 127 1HG GLU 16 2HG GLU 16 -0.308 6.309 11.007 128 2HG GLU 16 3HG GLU 16 0.690 4.850 10.881 129 H ASP 17 HN ASP 17 2.395 6.130 6.921 130 HA ASP 17 HA ASP 17 3.575 8.797 6.263 131 1HB ASP 17 2HB ASP 17 4.160 5.974 5.341 132 2HB ASP 17 3HB ASP 17 5.015 7.406 4.765 133 H GLY 18 HN GLY 18 1.379 6.296 5.050 134 1HA GLY 18 2HA GLY 18 0.073 6.140 3.262 135 2HA GLY 18 3HA GLY 18 0.286 7.866 2.915 136 H ASP 19 HN ASP 19 0.432 7.289 0.698 137 HA ASP 19 HA ASP 19 3.185 6.866 -0.183 138 1HB ASP 19 2HB ASP 19 1.012 4.893 -0.701 139 2HB ASP 19 3HB ASP 19 1.775 5.452 -2.170 140 HA PRO 20 HA PRO 20 0.386 10.291 -1.705 141 1HB PRO 20 2HB PRO 20 2.086 12.427 -1.234 142 2HB PRO 20 3HB PRO 20 0.874 11.797 -0.076 143 1HG PRO 20 2HG PRO 20 3.836 11.218 -0.193 144 2HG PRO 20 3HG PRO 20 2.833 11.547 1.251 145 1HD PRO 20 2HD PRO 20 3.536 9.020 0.551 146 2HD PRO 20 3HD PRO 20 1.919 9.364 1.215 147 H ASP 21 HN ASP 21 3.802 9.495 -2.327 148 HA ASP 21 HA ASP 21 4.181 11.064 -4.648 149 1HB ASP 21 2HB ASP 21 5.362 8.429 -3.613 150 2HB ASP 21 3HB ASP 21 5.953 9.275 -5.038 151 H ASN 22 HN ASN 22 2.481 8.096 -3.979 152 HA ASN 22 HA ASN 22 2.159 7.402 -6.849 153 1HB ASN 22 2HB ASN 22 1.388 5.855 -4.354 154 2HB ASN 22 3HB ASN 22 1.410 5.240 -6.004 155 1HD2 ASN 22 2HND ASN 22 4.837 5.390 -3.765 156 2HD2 ASN 22 1HND ASN 22 3.390 6.149 -3.208 157 H GLY 23 HN GLY 23 0.507 8.609 -4.083 158 1HA GLY 23 2HA GLY 23 -1.260 10.177 -4.844 159 2HA GLY 23 3HA GLY 23 -2.059 8.817 -5.641 160 H VAL 24 HN VAL 24 -0.605 8.123 -2.528 161 HA VAL 24 HA VAL 24 -3.330 7.960 -1.285 162 HB VAL 24 HB VAL 24 -0.817 6.304 -1.024 163 1HG1 VAL 24 2HG1 VAL 24 -3.423 6.164 0.508 164 2HG1 VAL 24 3HG1 VAL 24 -2.239 4.846 0.441 165 3HG1 VAL 24 1HG1 VAL 24 -1.783 6.394 1.174 166 1HG2 VAL 24 3HG2 VAL 24 -2.194 5.845 -3.045 167 2HG2 VAL 24 1HG2 VAL 24 -2.233 4.491 -1.902 168 3HG2 VAL 24 2HG2 VAL 24 -3.617 5.600 -2.015 169 H ASN 25 HN ASN 25 -3.573 9.615 0.109 170 HA ASN 25 HA ASN 25 -1.386 11.182 1.073 171 1HB ASN 25 2HB ASN 25 -4.360 11.019 1.681 172 2HB ASN 25 3HB ASN 25 -3.316 11.987 2.711 173 1HD2 ASN 25 2HND ASN 25 -3.798 13.203 -1.201 174 2HD2 ASN 25 1HND ASN 25 -4.070 11.521 -0.813 175 HA PRO 26 HA PRO 26 -0.268 9.009 4.808 176 1HB PRO 26 2HB PRO 26 0.089 11.086 6.627 177 2HB PRO 26 3HB PRO 26 1.289 10.499 5.459 178 1HG PRO 26 2HG PRO 26 -0.511 12.897 5.251 179 2HG PRO 26 3HG PRO 26 1.184 12.693 4.694 180 1HD PRO 26 2HD PRO 26 -1.015 12.581 3.019 181 2HD PRO 26 3HD PRO 26 0.497 11.681 2.701 182 H GLY 27 HN GLY 27 -1.191 8.264 6.625 183 1HA GLY 27 2HA GLY 27 -2.811 7.790 8.161 184 2HA GLY 27 3HA GLY 27 -3.593 9.352 7.858 185 H THR 28 HN THR 28 -2.984 7.246 4.973 186 HA THR 28 HA THR 28 -5.911 6.888 4.854 187 HB THR 28 HB THR 28 -3.661 6.318 2.881 188 HG1 THR 28 HG1 THR 28 -4.014 8.503 3.041 189 1HG2 THR 28 3HG2 THR 28 -6.690 6.150 2.684 190 2HG2 THR 28 1HG2 THR 28 -5.600 6.100 1.278 191 3HG2 THR 28 2HG2 THR 28 -5.507 4.829 2.515 192 H ASP 29 HN ASP 29 -6.682 5.140 5.737 193 HA ASP 29 HA ASP 29 -5.179 2.883 6.618 194 1HB ASP 29 2HB ASP 29 -7.573 3.641 7.249 195 2HB ASP 29 3HB ASP 29 -8.094 2.848 5.779 196 H PHE 30 HN PHE 30 -4.694 1.030 5.566 197 HA PHE 30 HA PHE 30 -4.399 0.828 2.775 198 1HB PHE 30 2HB PHE 30 -3.532 -0.625 4.785 199 2HB PHE 30 3HB PHE 30 -4.961 -1.610 4.484 200 HD1 PHE 30 HD1 PHE 30 -5.273 -2.271 1.833 201 HD2 PHE 30 HD2 PHE 30 -1.585 -1.183 3.754 202 HE1 PHE 30 HE1 PHE 30 -3.997 -3.168 -0.082 203 HE2 PHE 30 HE2 PHE 30 -0.326 -2.258 1.886 204 HZ PHE 30 HZ PHE 30 -1.531 -3.175 0.000 205 H LYS 31 HN LYS 31 -7.261 0.164 4.872 206 HA LYS 31 HA LYS 31 -8.569 -1.333 2.734 207 1HB LYS 31 2HB LYS 31 -10.526 -1.357 4.013 208 2HB LYS 31 3HB LYS 31 -9.138 -1.676 5.076 209 1HG LYS 31 2HG LYS 31 -9.136 0.770 5.660 210 2HG LYS 31 3HG LYS 31 -10.607 0.967 4.712 211 1HD LYS 31 2HD LYS 31 -11.757 -0.668 6.096 212 2HD LYS 31 3HD LYS 31 -10.287 -0.896 7.083 213 1HE LYS 31 2HE LYS 31 -10.336 1.380 7.895 214 2HE LYS 31 3HE LYS 31 -11.500 1.887 6.669 215 1HZ LYS 31 2HNZ LYS 31 -12.110 0.062 8.884 216 2HZ LYS 31 3HNZ LYS 31 -12.500 1.662 8.801 217 3HZ LYS 31 1HNZ LYS 31 -13.167 0.603 7.735 218 H ASP 32 HN ASP 32 -8.348 2.048 3.682 219 HA ASP 32 HA ASP 32 -10.559 2.961 2.038 220 1HB ASP 32 2HB ASP 32 -8.375 4.458 3.553 221 2HB ASP 32 3HB ASP 32 -9.777 5.195 2.782 222 H ILE 33 HN ILE 33 -7.119 2.266 1.500 223 HA ILE 33 HA ILE 33 -6.456 4.062 -0.459 224 HB ILE 33 HB ILE 33 -5.905 1.138 -0.198 225 1HG1 ILE 33 2HG1 ILE 33 -4.516 3.668 0.681 226 2HG1 ILE 33 3HG1 ILE 33 -5.135 2.444 1.717 227 1HG2 ILE 33 1HG2 ILE 33 -5.391 1.929 -2.472 228 2HG2 ILE 33 2HG2 ILE 33 -4.257 3.093 -1.720 229 3HG2 ILE 33 3HG2 ILE 33 -4.031 1.331 -1.529 230 1HD1 ILE 33 1HD1 ILE 33 -3.433 0.820 0.617 231 2HD1 ILE 33 2HD1 ILE 33 -2.651 2.306 0.005 232 3HD1 ILE 33 3HD1 ILE 33 -2.843 2.037 1.744 233 HA PRO 34 HA PRO 34 -9.571 2.924 -3.518 234 1HB PRO 34 2HB PRO 34 -8.221 3.976 -5.786 235 2HB PRO 34 3HB PRO 34 -9.395 4.801 -4.741 236 1HG PRO 34 2HG PRO 34 -6.483 5.208 -4.912 237 2HG PRO 34 3HG PRO 34 -7.690 6.178 -4.023 238 1HD PRO 34 2HD PRO 34 -5.841 4.186 -2.977 239 2HD PRO 34 3HD PRO 34 -6.916 5.256 -2.073 240 H ASP 35 HN ASP 35 -9.866 1.087 -4.818 241 HA ASP 35 HA ASP 35 -7.762 -0.834 -5.065 242 1HB ASP 35 2HB ASP 35 -10.685 -0.539 -5.746 243 2HB ASP 35 3HB ASP 35 -9.745 -1.691 -6.650 244 H ASP 36 HN ASP 36 -8.455 1.942 -6.902 245 HA ASP 36 HA ASP 36 -7.357 1.095 -9.418 246 1HB ASP 36 2HB ASP 36 -8.580 3.404 -8.330 247 2HB ASP 36 3HB ASP 36 -7.053 3.842 -9.107 248 H TRP 37 HN TRP 37 -5.996 1.837 -6.322 249 HA TRP 37 HA TRP 37 -3.485 2.955 -7.299 250 1HB TRP 37 2HB TRP 37 -4.411 3.585 -5.110 251 2HB TRP 37 3HB TRP 37 -4.369 1.900 -4.613 252 HD1 TRP 37 HD TRP 37 -1.876 4.749 -5.302 253 HE1 TRP 37 HNE TRP 37 0.230 4.281 -3.913 254 HE3 TRP 37 HE TRP 37 -3.033 0.091 -3.678 255 HZ2 TRP 37 HZ1 TRP 37 1.257 2.156 -2.226 256 HZ3 TRP 37 HZ2 TRP 37 -1.462 -1.182 -2.185 257 HH2 TRP 37 HH TRP 37 0.680 -0.148 -1.476 258 H VAL 38 HN VAL 38 -1.412 1.908 -6.986 259 HA VAL 38 HA VAL 38 -1.371 -1.045 -6.986 260 HB VAL 38 HB VAL 38 0.401 -0.639 -8.883 261 1HG1 VAL 38 1HG1 VAL 38 -1.625 -2.001 -9.146 262 2HG1 VAL 38 2HG1 VAL 38 -2.592 -0.542 -9.450 263 3HG1 VAL 38 3HG1 VAL 38 -1.332 -1.033 -10.602 264 1HG2 VAL 38 1HG2 VAL 38 0.223 1.867 -8.842 265 2HG2 VAL 38 2HG2 VAL 38 -0.051 1.141 -10.436 266 3HG2 VAL 38 3HG2 VAL 38 -1.428 1.719 -9.489 267 H CYS 39 HN CYN 39 0.834 -1.851 -6.696 268 HA CYS 39 HA CYN 39 1.973 -0.612 -4.402 269 1HB CYS 39 2HB CYN 39 1.828 -2.979 -4.590 270 2HB CYS 39 3HB CYN 39 2.730 -2.990 -6.109 271 HA PRO 40 HA PRO 40 4.816 2.063 -6.602 272 1HB PRO 40 2HB PRO 40 6.757 2.460 -4.654 273 2HB PRO 40 3HB PRO 40 5.171 3.272 -4.688 274 1HG PRO 40 2HG PRO 40 5.937 0.801 -3.156 275 2HG PRO 40 3HG PRO 40 5.057 2.241 -2.544 276 1HD PRO 40 2HD PRO 40 3.776 -0.012 -3.254 277 2HD PRO 40 3HD PRO 40 3.080 1.574 -3.709 278 H LEU 41 HN LEU 41 6.197 1.412 -8.132 279 HA LEU 41 HA LEU 41 7.906 0.429 -9.245 280 1HB LEU 41 2HB LEU 41 9.154 -0.198 -6.539 281 2HB LEU 41 3HB LEU 41 9.970 -0.065 -8.092 282 HG LEU 41 HG LEU 41 8.593 2.225 -6.612 283 1HD1 LEU 41 3HD1 LEU 41 11.536 1.547 -6.976 284 2HD1 LEU 41 1HD1 LEU 41 10.904 3.059 -6.284 285 3HD1 LEU 41 2HD1 LEU 41 10.607 1.523 -5.464 286 1HD2 LEU 41 3HD2 LEU 41 10.286 2.197 -9.164 287 2HD2 LEU 41 1HD2 LEU 41 8.554 2.596 -9.070 288 3HD2 LEU 41 2HD2 LEU 41 9.744 3.659 -8.312 289 H CYS 42 HN CYN 42 5.561 -1.139 -8.674 290 HA CYS 42 HA CYN 42 6.624 -3.850 -9.068 291 1HB CYS 42 2HB CYN 42 6.444 -3.541 -6.671 292 2HB CYS 42 3HB CYN 42 4.814 -2.895 -6.857 293 H GLY 43 HN GLY 43 4.697 -5.224 -9.736 294 1HA GLY 43 2HA GLY 43 2.872 -3.606 -11.506 295 2HA GLY 43 3HA GLY 43 3.673 -5.102 -11.989 296 H VAL 44 HN VAL 44 0.952 -3.762 -10.528 297 HA VAL 44 HA VAL 44 -1.019 -4.604 -9.838 298 HB VAL 44 HB VAL 44 0.135 -7.426 -9.774 299 1HG1 VAL 44 3HG1 VAL 44 -2.716 -6.403 -9.578 300 2HG1 VAL 44 1HG1 VAL 44 -2.215 -8.102 -9.703 301 3HG1 VAL 44 2HG1 VAL 44 -1.773 -7.162 -8.277 302 1HG2 VAL 44 1HG2 VAL 44 -1.592 -6.016 -11.867 303 2HG2 VAL 44 2HG2 VAL 44 0.087 -6.545 -12.106 304 3HG2 VAL 44 3HG2 VAL 44 -1.184 -7.744 -11.854 305 H GLY 45 HN GLY 45 -1.657 -4.152 -7.779 306 1HA GLY 45 2HA GLY 45 -0.354 -5.270 -5.458 307 2HA GLY 45 3HA GLY 45 -0.071 -3.524 -5.678 308 H LYS 46 HN LYS 46 -1.500 -4.156 -3.497 309 HA LYS 46 HA LYS 46 -3.470 -4.131 -2.397 310 1HB LYS 46 2HB LYS 46 -3.725 -1.956 -2.726 311 2HB LYS 46 3HB LYS 46 -3.914 -2.052 -4.487 312 1HG LYS 46 2HG LYS 46 -6.146 -2.472 -4.396 313 2HG LYS 46 3HG LYS 46 -6.102 -3.268 -2.822 314 1HD LYS 46 2HD LYS 46 -5.616 -0.295 -3.085 315 2HD LYS 46 3HD LYS 46 -7.230 -0.993 -3.029 316 1HE LYS 46 2HE LYS 46 -5.959 -2.327 -0.924 317 2HE LYS 46 3HE LYS 46 -5.310 -0.729 -0.828 318 1HZ LYS 46 1HNZ LYS 46 -7.736 0.035 -0.976 319 2HZ LYS 46 2HNZ LYS 46 -8.184 -1.521 -0.836 320 3HZ LYS 46 3HNZ LYS 46 -7.339 -0.765 0.397 321 H ASP 47 HN ASP 47 -3.403 -6.307 -2.892 322 HA ASP 47 HA ASP 47 -6.090 -7.198 -3.617 323 1HB ASP 47 2HB ASP 47 -5.156 -7.565 -5.775 324 2HB ASP 47 3HB ASP 47 -3.628 -8.175 -5.126 325 H GLN 48 HN GLN 48 -2.937 -8.780 -3.196 326 HA GLN 48 HA GLN 48 -3.898 -10.099 -0.698 327 1HB GLN 48 2HB GLN 48 -2.947 -11.140 -3.129 328 2HB GLN 48 3HB GLN 48 -1.539 -11.235 -2.076 329 1HG GLN 48 2HG GLN 48 -2.939 -12.463 -0.397 330 2HG GLN 48 3HG GLN 48 -4.335 -12.307 -1.483 331 1HE2 GLN 48 2HNE GLN 48 -1.253 -14.753 -2.779 332 2HE2 GLN 48 1HNE GLN 48 -0.859 -13.273 -1.921 333 H PHE 49 HN PHE 49 -3.191 -8.749 0.967 334 HA PHE 49 HA PHE 49 -0.289 -8.159 1.183 335 1HB PHE 49 2HB PHE 49 -0.984 -5.879 2.041 336 2HB PHE 49 3HB PHE 49 -1.067 -6.081 0.309 337 HD1 PHE 49 HD2 PHE 49 -3.326 -6.547 -0.793 338 HD2 PHE 49 HD1 PHE 49 -2.921 -5.056 3.192 339 HE1 PHE 49 HE2 PHE 49 -5.762 -6.040 -0.736 340 HE2 PHE 49 HE1 PHE 49 -5.365 -4.729 3.350 341 HZ PHE 49 HZ PHE 49 -6.798 -5.196 1.358 342 H GLU 50 HN GLU 50 0.438 -8.520 3.256 343 HA GLU 50 HA GLU 50 -1.504 -9.624 5.225 344 1HB GLU 50 2HB GLU 50 1.521 -9.787 4.862 345 2HB GLU 50 3HB GLU 50 0.706 -10.371 6.278 346 1HG GLU 50 2HG GLU 50 -0.500 -12.047 4.991 347 2HG GLU 50 3HG GLU 50 -0.091 -11.263 3.457 348 H GLU 51 HN GLU 51 -1.399 -8.843 7.496 349 HA GLU 51 HA GLU 51 -0.803 -6.001 7.677 350 1HB GLU 51 2HB GLU 51 -2.845 -6.917 8.651 351 2HB GLU 51 3HB GLU 51 -1.935 -8.149 9.541 352 1HG GLU 51 2HG GLU 51 -0.902 -6.562 10.894 353 2HG GLU 51 3HG GLU 51 -1.600 -5.168 10.039 354 H VAL 52 HN VAL 52 0.858 -5.070 8.855 355 HA VAL 52 HA VAL 52 3.062 -6.829 9.783 356 HB VAL 52 HB VAL 52 2.878 -4.067 8.533 357 1HG1 VAL 52 3HG1 VAL 52 5.226 -5.310 10.021 358 2HG1 VAL 52 1HG1 VAL 52 5.300 -3.838 9.012 359 3HG1 VAL 52 2HG1 VAL 52 4.296 -3.864 10.467 360 1HG2 VAL 52 2HG2 VAL 52 3.062 -5.930 6.996 361 2HG2 VAL 52 3HG2 VAL 52 4.496 -4.885 7.016 362 3HG2 VAL 52 1HG2 VAL 52 4.547 -6.479 7.819 363 H GLU 53 HN GLU 53 2.627 -7.147 11.901 364 HA GLU 53 HA GLU 53 1.327 -5.282 13.605 365 1HB GLU 53 2HB GLU 53 1.783 -6.964 15.277 366 2HB GLU 53 3HB GLU 53 0.989 -7.611 13.841 367 1HG GLU 53 2HG GLU 53 3.252 -8.537 13.105 368 2HG GLU 53 3HG GLU 53 3.924 -7.962 14.626 369 H GLU 54 HN GLU 54 3.044 -3.703 12.831 370 HA GLU 54 HA GLU 54 5.195 -3.340 14.890 371 1HB GLU 54 2HB GLU 54 4.270 -1.386 12.758 372 2HB GLU 54 3HB GLU 54 5.570 -1.159 13.930 373 1HG GLU 54 2HG GLU 54 6.274 -3.574 12.660 374 2HG GLU 54 3HG GLU 54 5.641 -2.556 11.361 No H/Q in entry = 374 Start of MODEL 6 1 1H MET 1 1HN MET 1 -1.337 3.510 12.593 2 2H MET 1 2HN MET 1 -2.078 4.349 11.489 3 3H MET 1 3HN MET 1 -2.878 4.026 12.893 4 HA MET 1 HA MET 1 -3.533 1.959 12.221 5 1HB MET 1 2HB MET 1 -2.791 3.410 9.682 6 2HB MET 1 3HB MET 1 -3.596 1.837 9.614 7 1HG MET 1 2HG MET 1 -5.598 2.715 10.308 8 2HG MET 1 3HG MET 1 -4.837 3.973 11.296 9 1HE MET 1 1HE MET 1 -7.410 4.472 9.479 10 2HE MET 1 2HE MET 1 -6.665 5.716 10.517 11 3HE MET 1 3HE MET 1 -6.999 6.067 8.805 12 H LYS 2 HN LYS 2 -2.906 -0.089 10.857 13 HA LYS 2 HA LYS 2 -0.112 -0.662 11.625 14 1HB LYS 2 2HB LYS 2 -2.460 -2.412 10.882 15 2HB LYS 2 3HB LYS 2 -0.841 -3.029 11.261 16 1HG LYS 2 2HG LYS 2 -1.851 -1.052 13.212 17 2HG LYS 2 3HG LYS 2 -2.849 -2.510 13.128 18 1HD LYS 2 2HD LYS 2 0.186 -2.638 13.369 19 2HD LYS 2 3HD LYS 2 -0.789 -2.267 14.792 20 1HE LYS 2 2HE LYS 2 -2.088 -4.415 14.420 21 2HE LYS 2 3HE LYS 2 -0.980 -4.785 13.091 22 1HZ LYS 2 3HNZ LYS 2 0.837 -4.494 14.760 23 2HZ LYS 2 1HNZ LYS 2 -0.289 -4.495 15.932 24 3HZ LYS 2 2HNZ LYS 2 -0.130 -5.836 14.978 25 H LYS 3 HN LYS 3 1.306 -1.711 10.240 26 HA LYS 3 HA LYS 3 1.288 -0.630 7.531 27 1HB LYS 3 2HB LYS 3 3.280 -2.376 9.009 28 2HB LYS 3 3HB LYS 3 3.527 -1.599 7.450 29 1HG LYS 3 2HG LYS 3 3.139 0.625 8.430 30 2HG LYS 3 3HG LYS 3 2.795 -0.075 9.991 31 1HD LYS 3 2HD LYS 3 4.983 0.628 10.287 32 2HD LYS 3 3HD LYS 3 5.047 -1.124 10.078 33 1HE LYS 3 2HE LYS 3 5.606 -0.647 7.603 34 2HE LYS 3 3HE LYS 3 5.845 1.040 8.081 35 1HZ LYS 3 1HNZ LYS 3 7.255 -1.270 9.248 36 2HZ LYS 3 2HNZ LYS 3 7.898 -0.273 8.104 37 3HZ LYS 3 3HNZ LYS 3 7.540 0.282 9.617 38 H TYR 4 HN TYR 4 1.988 -2.151 5.711 39 HA TYR 4 HA TYR 4 0.650 -4.796 5.927 40 1HB TYR 4 2HB TYR 4 -0.158 -2.589 4.013 41 2HB TYR 4 3HB TYR 4 -0.408 -4.273 3.625 42 HD1 TYR 4 HD2 TYR 4 -1.389 -1.600 6.023 43 HD2 TYR 4 HD1 TYR 4 -2.145 -5.520 4.495 44 HE1 TYR 4 HE2 TYR 4 -3.348 -1.795 7.543 45 HE2 TYR 4 HE1 TYR 4 -4.044 -5.797 6.112 46 HH TYR 4 HOH TYR 4 -5.010 -3.211 8.355 47 H THR 5 HN THR 5 1.497 -6.375 4.604 48 HA THR 5 HA THR 5 3.893 -5.518 3.020 49 HB THR 5 HB THR 5 3.959 -7.515 4.484 50 HG1 THR 5 HG1 THR 5 4.463 -8.061 1.756 51 1HG2 THR 5 3HG2 THR 5 1.701 -8.365 3.852 52 2HG2 THR 5 1HG2 THR 5 2.341 -8.884 2.286 53 3HG2 THR 5 2HG2 THR 5 2.982 -9.596 3.779 54 H CYS 6 HN CYN 6 4.015 -5.513 0.831 55 HA CYS 6 HA CYN 6 1.699 -6.094 -0.902 56 1HB CYS 6 2HB CYN 6 3.237 -4.304 -1.501 57 2HB CYS 6 3HB CYN 6 4.609 -5.405 -1.419 58 H THR 7 HN THR 7 2.409 -7.921 -2.685 59 HA THR 7 HA THR 7 2.514 -10.333 -1.102 60 HB THR 7 HB THR 7 2.450 -11.296 -3.535 61 HG1 THR 7 HG1 THR 7 1.808 -9.742 -5.038 62 1HG2 THR 7 3HG2 THR 7 0.488 -11.144 -2.003 63 2HG2 THR 7 1HG2 THR 7 0.239 -9.460 -2.507 64 3HG2 THR 7 2HG2 THR 7 0.045 -10.780 -3.683 65 H VAL 8 HN VAL 8 4.554 -9.916 -0.141 66 HA VAL 8 HA VAL 8 6.700 -10.475 0.282 67 HB VAL 8 HB VAL 8 6.831 -11.778 -2.483 68 1HG1 VAL 8 2HG1 VAL 8 8.850 -11.733 -0.213 69 2HG1 VAL 8 3HG1 VAL 8 8.925 -12.771 -1.653 70 3HG1 VAL 8 1HG1 VAL 8 9.057 -11.019 -1.828 71 1HG2 VAL 8 2HG2 VAL 8 6.639 -12.952 0.323 72 2HG2 VAL 8 3HG2 VAL 8 5.328 -12.937 -0.874 73 3HG2 VAL 8 1HG2 VAL 8 6.800 -13.864 -1.192 74 H CYS 9 HN CYN 9 6.701 -9.672 -3.190 75 HA CYS 9 HA CYN 9 7.942 -8.053 -4.339 76 1HB CYS 9 2HB CYN 9 5.674 -7.318 -3.790 77 2HB CYS 9 3HB CYN 9 6.279 -6.532 -2.324 78 H GLY 10 HN GLY 10 8.214 -5.444 -2.422 79 1HA GLY 10 2HA GLY 10 10.023 -6.104 -0.350 80 2HA GLY 10 3HA GLY 10 10.965 -5.523 -1.744 81 H TYR 11 HN TYR 11 7.669 -4.576 -0.674 82 HA TYR 11 HA TYR 11 8.563 -1.822 -0.082 83 1HB TYR 11 2HB TYR 11 7.946 -2.511 -2.662 84 2HB TYR 11 3HB TYR 11 6.370 -2.011 -2.119 85 HD1 TYR 11 HD1 TYR 11 6.633 0.315 -0.514 86 HD2 TYR 11 HD2 TYR 11 9.122 -0.904 -3.823 87 HE1 TYR 11 HE1 TYR 11 7.404 2.656 -0.811 88 HE2 TYR 11 HE2 TYR 11 9.878 1.425 -4.116 89 HH TYR 11 HOH TYR 11 9.731 3.595 -3.357 90 H ILE 12 HN ILE 12 7.895 -2.666 2.030 91 HA ILE 12 HA ILE 12 5.169 -3.302 2.613 92 HB ILE 12 HB ILE 12 7.571 -2.431 4.201 93 1HG1 ILE 12 2HG1 ILE 12 5.595 -4.744 4.470 94 2HG1 ILE 12 3HG1 ILE 12 7.033 -4.794 3.448 95 1HG2 ILE 12 1HG2 ILE 12 4.754 -2.475 5.368 96 2HG2 ILE 12 2HG2 ILE 12 6.253 -2.446 6.310 97 3HG2 ILE 12 3HG2 ILE 12 5.849 -1.074 5.301 98 1HD1 ILE 12 2HD1 ILE 12 8.467 -4.441 5.448 99 2HD1 ILE 12 3HD1 ILE 12 7.017 -4.524 6.481 100 3HD1 ILE 12 1HD1 ILE 12 7.495 -5.925 5.517 101 H TYR 13 HN TYR 13 3.414 -2.100 2.927 102 HA TYR 13 HA TYR 13 3.490 0.779 2.273 103 1HB TYR 13 2HB TYR 13 1.769 -0.633 1.286 104 2HB TYR 13 3HB TYR 13 1.254 -1.177 2.886 105 HD1 TYR 13 HD2 TYR 13 0.049 0.381 4.432 106 HD2 TYR 13 HD1 TYR 13 0.808 1.343 0.339 107 HE1 TYR 13 HE2 TYR 13 -1.497 2.304 4.552 108 HE2 TYR 13 HE1 TYR 13 -0.159 3.619 0.688 109 HH TYR 13 HOH TYR 13 -2.219 4.323 3.574 110 H ASN 14 HN ASN 14 3.188 2.366 3.798 111 HA ASN 14 HA ASN 14 2.603 1.583 6.608 112 1HB ASN 14 2HB ASN 14 5.021 2.208 6.237 113 2HB ASN 14 3HB ASN 14 4.488 3.791 5.688 114 1HD2 ASN 14 2HND ASN 14 5.299 4.149 9.271 115 2HD2 ASN 14 1HND ASN 14 5.934 4.347 7.641 116 HA PRO 15 HA PRO 15 -0.657 4.336 5.354 117 1HB PRO 15 2HB PRO 15 -2.202 4.263 7.663 118 2HB PRO 15 3HB PRO 15 -2.255 2.972 6.460 119 1HG PRO 15 2HG PRO 15 -0.746 3.001 9.053 120 2HG PRO 15 3HG PRO 15 -1.580 1.647 8.225 121 1HD PRO 15 2HD PRO 15 1.123 2.133 8.285 122 2HD PRO 15 3HD PRO 15 0.394 1.171 7.016 123 H GLU 16 HN GLU 16 1.086 4.596 8.406 124 HA GLU 16 HA GLU 16 0.116 7.197 9.039 125 1HB GLU 16 2HB GLU 16 2.645 5.725 9.865 126 2HB GLU 16 3HB GLU 16 1.929 7.134 10.623 127 1HG GLU 16 2HG GLU 16 -0.288 5.525 10.563 128 2HG GLU 16 3HG GLU 16 0.936 4.245 10.488 129 H ASP 17 HN ASP 17 2.516 6.012 6.886 130 HA ASP 17 HA ASP 17 3.678 8.704 6.279 131 1HB ASP 17 2HB ASP 17 4.208 5.940 5.139 132 2HB ASP 17 3HB ASP 17 5.009 7.415 4.628 133 H GLY 18 HN GLY 18 1.446 6.229 5.086 134 1HA GLY 18 2HA GLY 18 -0.064 6.221 3.395 135 2HA GLY 18 3HA GLY 18 0.290 7.913 3.013 136 H ASP 19 HN ASP 19 0.461 7.489 0.813 137 HA ASP 19 HA ASP 19 3.140 6.811 -0.018 138 1HB ASP 19 2HB ASP 19 2.240 4.589 -0.117 139 2HB ASP 19 3HB ASP 19 0.791 5.114 -0.979 140 HA PRO 20 HA PRO 20 0.413 10.276 -1.544 141 1HB PRO 20 2HB PRO 20 2.148 12.393 -1.230 142 2HB PRO 20 3HB PRO 20 1.094 11.737 0.060 143 1HG PRO 20 2HG PRO 20 4.010 11.100 -0.457 144 2HG PRO 20 3HG PRO 20 3.238 11.516 1.103 145 1HD PRO 20 2HD PRO 20 3.719 8.950 0.442 146 2HD PRO 20 3HD PRO 20 2.175 9.394 1.231 147 H ASP 21 HN ASP 21 3.764 9.405 -2.523 148 HA ASP 21 HA ASP 21 3.931 11.036 -4.797 149 1HB ASP 21 2HB ASP 21 5.157 8.324 -4.099 150 2HB ASP 21 3HB ASP 21 5.716 9.418 -5.369 151 H ASN 22 HN ASN 22 2.178 8.101 -4.082 152 HA ASN 22 HA ASN 22 1.405 7.710 -6.946 153 1HB ASN 22 2HB ASN 22 1.243 5.811 -4.604 154 2HB ASN 22 3HB ASN 22 0.903 5.417 -6.286 155 1HD2 ASN 22 2HND ASN 22 4.801 5.682 -5.006 156 2HD2 ASN 22 1HND ASN 22 3.476 6.188 -3.969 157 H GLY 23 HN GLY 23 0.375 9.608 -4.635 158 1HA GLY 23 2HA GLY 23 -1.628 10.700 -4.725 159 2HA GLY 23 3HA GLY 23 -2.426 9.305 -5.456 160 H VAL 24 HN VAL 24 -0.691 8.308 -2.637 161 HA VAL 24 HA VAL 24 -3.302 8.100 -1.185 162 HB VAL 24 HB VAL 24 -0.738 6.558 -1.192 163 1HG1 VAL 24 2HG1 VAL 24 -3.095 6.124 0.610 164 2HG1 VAL 24 3HG1 VAL 24 -1.817 4.940 0.235 165 3HG1 VAL 24 1HG1 VAL 24 -1.385 6.445 1.047 166 1HG2 VAL 24 1HG2 VAL 24 -2.317 6.143 -3.101 167 2HG2 VAL 24 2HG2 VAL 24 -2.185 4.729 -2.036 168 3HG2 VAL 24 3HG2 VAL 24 -3.604 5.788 -1.932 169 H ASN 25 HN ASN 25 -3.571 9.672 0.257 170 HA ASN 25 HA ASN 25 -1.421 11.287 1.262 171 1HB ASN 25 2HB ASN 25 -4.385 11.015 1.884 172 2HB ASN 25 3HB ASN 25 -3.350 12.008 2.898 173 1HD2 ASN 25 2HND ASN 25 -3.841 13.255 -1.012 174 2HD2 ASN 25 1HND ASN 25 -3.866 11.537 -0.697 175 HA PRO 26 HA PRO 26 -0.270 8.945 4.922 176 1HB PRO 26 2HB PRO 26 0.042 10.984 6.807 177 2HB PRO 26 3HB PRO 26 1.267 10.413 5.658 178 1HG PRO 26 2HG PRO 26 -0.526 12.816 5.449 179 2HG PRO 26 3HG PRO 26 1.185 12.629 4.938 180 1HD PRO 26 2HD PRO 26 -0.945 12.558 3.188 181 2HD PRO 26 3HD PRO 26 0.546 11.609 2.914 182 H GLY 27 HN GLY 27 -1.195 8.114 6.710 183 1HA GLY 27 2HA GLY 27 -2.773 7.630 8.279 184 2HA GLY 27 3HA GLY 27 -3.606 9.168 7.968 185 H THR 28 HN THR 28 -2.929 7.026 5.120 186 HA THR 28 HA THR 28 -5.847 6.542 5.020 187 HB THR 28 HB THR 28 -3.609 6.224 2.967 188 HG1 THR 28 HG1 THR 28 -4.020 8.367 3.169 189 1HG2 THR 28 3HG2 THR 28 -6.626 5.943 2.788 190 2HG2 THR 28 1HG2 THR 28 -5.519 5.958 1.389 191 3HG2 THR 28 2HG2 THR 28 -5.407 4.660 2.596 192 H ASP 29 HN ASP 29 -6.424 4.755 5.915 193 HA ASP 29 HA ASP 29 -4.765 2.514 6.582 194 1HB ASP 29 2HB ASP 29 -7.078 3.120 7.480 195 2HB ASP 29 3HB ASP 29 -7.734 2.493 5.993 196 H PHE 30 HN PHE 30 -4.324 0.760 5.391 197 HA PHE 30 HA PHE 30 -4.239 0.639 2.618 198 1HB PHE 30 2HB PHE 30 -3.345 -0.900 4.543 199 2HB PHE 30 3HB PHE 30 -4.790 -1.857 4.229 200 HD1 PHE 30 HD2 PHE 30 -5.160 -2.565 1.693 201 HD2 PHE 30 HD1 PHE 30 -1.483 -0.919 3.193 202 HE1 PHE 30 HE2 PHE 30 -3.955 -3.477 -0.246 203 HE2 PHE 30 HE1 PHE 30 -0.285 -1.770 1.179 204 HZ PHE 30 HZ PHE 30 -1.492 -3.090 -0.462 205 H LYS 31 HN LYS 31 -7.063 -0.123 4.754 206 HA LYS 31 HA LYS 31 -8.421 -1.529 2.596 207 1HB LYS 31 2HB LYS 31 -10.374 -1.512 3.924 208 2HB LYS 31 3HB LYS 31 -8.960 -1.914 4.920 209 1HG LYS 31 2HG LYS 31 -8.869 0.538 5.568 210 2HG LYS 31 3HG LYS 31 -10.396 0.774 4.744 211 1HD LYS 31 2HD LYS 31 -11.462 -0.883 6.190 212 2HD LYS 31 3HD LYS 31 -9.893 -1.233 6.969 213 1HE LYS 31 2HE LYS 31 -9.719 1.077 7.804 214 2HE LYS 31 3HE LYS 31 -11.192 1.548 6.943 215 1HZ LYS 31 2HNZ LYS 31 -11.080 -0.393 9.143 216 2HZ LYS 31 3HNZ LYS 31 -11.575 1.175 9.256 217 3HZ LYS 31 1HNZ LYS 31 -12.442 0.108 8.348 218 H ASP 32 HN ASP 32 -8.233 1.834 3.683 219 HA ASP 32 HA ASP 32 -10.395 2.785 1.984 220 1HB ASP 32 2HB ASP 32 -8.387 4.163 3.817 221 2HB ASP 32 3HB ASP 32 -9.632 5.004 2.888 222 H ILE 33 HN ILE 33 -6.994 2.053 1.416 223 HA ILE 33 HA ILE 33 -6.324 4.035 -0.391 224 HB ILE 33 HB ILE 33 -5.745 1.095 -0.332 225 1HG1 ILE 33 2HG1 ILE 33 -4.403 3.590 0.706 226 2HG1 ILE 33 3HG1 ILE 33 -5.005 2.309 1.682 227 1HG2 ILE 33 3HG2 ILE 33 -5.250 2.026 -2.523 228 2HG2 ILE 33 1HG2 ILE 33 -4.166 3.208 -1.720 229 3HG2 ILE 33 2HG2 ILE 33 -3.843 1.454 -1.633 230 1HD1 ILE 33 2HD1 ILE 33 -3.270 0.771 0.474 231 2HD1 ILE 33 3HD1 ILE 33 -2.508 2.310 -0.022 232 3HD1 ILE 33 1HD1 ILE 33 -2.706 1.911 1.692 233 HA PRO 34 HA PRO 34 -9.474 2.991 -3.478 234 1HB PRO 34 2HB PRO 34 -8.087 4.167 -5.682 235 2HB PRO 34 3HB PRO 34 -9.361 4.884 -4.677 236 1HG PRO 34 2HG PRO 34 -6.509 5.551 -4.731 237 2HG PRO 34 3HG PRO 34 -7.798 6.305 -3.752 238 1HD PRO 34 2HD PRO 34 -5.787 4.303 -2.924 239 2HD PRO 34 3HD PRO 34 -6.818 5.322 -1.922 240 H ASP 35 HN ASP 35 -9.650 1.132 -4.778 241 HA ASP 35 HA ASP 35 -7.382 -0.602 -5.081 242 1HB ASP 35 2HB ASP 35 -10.325 -0.571 -5.856 243 2HB ASP 35 3HB ASP 35 -9.216 -1.820 -6.333 244 H ASP 36 HN ASP 36 -8.226 2.090 -6.791 245 HA ASP 36 HA ASP 36 -7.175 1.381 -9.391 246 1HB ASP 36 2HB ASP 36 -8.521 3.572 -8.233 247 2HB ASP 36 3HB ASP 36 -6.995 4.131 -8.942 248 H TRP 37 HN TRP 37 -5.859 2.179 -6.283 249 HA TRP 37 HA TRP 37 -3.345 3.328 -7.170 250 1HB TRP 37 2HB TRP 37 -4.201 3.742 -4.908 251 2HB TRP 37 3HB TRP 37 -4.202 2.013 -4.592 252 HD1 TRP 37 HD TRP 37 -1.619 4.838 -4.927 253 HE1 TRP 37 HNE TRP 37 0.551 4.062 -3.659 254 HE3 TRP 37 HE TRP 37 -2.910 0.044 -3.947 255 HZ2 TRP 37 HZ1 TRP 37 1.516 1.715 -2.414 256 HZ3 TRP 37 HZ2 TRP 37 -1.351 -1.484 -2.695 257 HH2 TRP 37 HH TRP 37 0.854 -0.646 -1.935 258 H VAL 38 HN VAL 38 -1.267 2.250 -6.863 259 HA VAL 38 HA VAL 38 -1.282 -0.675 -7.316 260 HB VAL 38 HB VAL 38 -1.574 0.383 -9.494 261 1HG1 VAL 38 3HG1 VAL 38 -0.619 2.629 -9.077 262 2HG1 VAL 38 1HG1 VAL 38 1.007 1.924 -8.943 263 3HG1 VAL 38 2HG1 VAL 38 0.130 1.860 -10.481 264 1HG2 VAL 38 3HG2 VAL 38 -0.139 -1.635 -9.253 265 2HG2 VAL 38 1HG2 VAL 38 0.284 -0.620 -10.649 266 3HG2 VAL 38 2HG2 VAL 38 1.286 -0.560 -9.184 267 H CYS 39 HN CYN 39 0.636 -1.696 -6.736 268 HA CYS 39 HA CYN 39 2.200 -0.437 -4.755 269 1HB CYS 39 2HB CYN 39 1.738 -2.794 -4.745 270 2HB CYS 39 3HB CYN 39 2.616 -3.016 -6.269 271 HA PRO 40 HA PRO 40 4.904 1.708 -7.597 272 1HB PRO 40 2HB PRO 40 6.859 2.596 -5.870 273 2HB PRO 40 3HB PRO 40 5.207 3.278 -5.939 274 1HG PRO 40 2HG PRO 40 6.244 1.150 -4.053 275 2HG PRO 40 3HG PRO 40 5.344 2.638 -3.628 276 1HD PRO 40 2HD PRO 40 4.110 0.260 -3.869 277 2HD PRO 40 3HD PRO 40 3.318 1.736 -4.508 278 H LEU 41 HN LEU 41 6.478 1.026 -8.935 279 HA LEU 41 HA LEU 41 8.083 -0.238 -9.902 280 1HB LEU 41 2HB LEU 41 9.303 -0.503 -7.127 281 2HB LEU 41 3HB LEU 41 10.121 -0.687 -8.676 282 HG LEU 41 HG LEU 41 8.946 1.907 -7.578 283 1HD1 LEU 41 2HD1 LEU 41 10.992 1.136 -6.428 284 2HD1 LEU 41 3HD1 LEU 41 11.827 1.008 -7.990 285 3HD1 LEU 41 1HD1 LEU 41 11.297 2.593 -7.391 286 1HD2 LEU 41 3HD2 LEU 41 10.469 1.341 -10.166 287 2HD2 LEU 41 1HD2 LEU 41 8.797 1.935 -10.029 288 3HD2 LEU 41 2HD2 LEU 41 10.139 2.960 -9.514 289 H CYS 42 HN CYN 42 5.671 -1.574 -8.877 290 HA CYS 42 HA CYN 42 6.655 -4.393 -8.990 291 1HB CYS 42 2HB CYN 42 6.377 -3.918 -6.695 292 2HB CYS 42 3HB CYN 42 4.880 -3.030 -6.989 293 H GLY 43 HN GLY 43 3.538 -2.587 -8.671 294 1HA GLY 43 2HA GLY 43 1.878 -2.383 -10.279 295 2HA GLY 43 3HA GLY 43 2.802 -3.331 -11.412 296 H VAL 44 HN VAL 44 2.277 -4.886 -8.283 297 HA VAL 44 HA VAL 44 0.829 -6.932 -9.625 298 HB VAL 44 HB VAL 44 2.364 -7.350 -7.801 299 1HG1 VAL 44 2HG1 VAL 44 1.606 -5.498 -6.229 300 2HG1 VAL 44 3HG1 VAL 44 0.192 -6.503 -5.836 301 3HG1 VAL 44 1HG1 VAL 44 1.820 -7.093 -5.500 302 1HG2 VAL 44 3HG2 VAL 44 0.665 -9.013 -8.529 303 2HG2 VAL 44 1HG2 VAL 44 1.123 -9.189 -6.832 304 3HG2 VAL 44 2HG2 VAL 44 -0.428 -8.437 -7.251 305 H GLY 45 HN GLY 45 -0.400 -4.663 -7.060 306 1HA GLY 45 2HA GLY 45 -2.940 -4.114 -7.920 307 2HA GLY 45 3HA GLY 45 -3.063 -5.769 -7.276 308 H LYS 46 HN LYS 46 -4.360 -5.027 -5.475 309 HA LYS 46 HA LYS 46 -2.635 -4.419 -3.223 310 1HB LYS 46 2HB LYS 46 -3.713 -2.566 -2.317 311 2HB LYS 46 3HB LYS 46 -3.246 -2.179 -3.971 312 1HG LYS 46 2HG LYS 46 -5.402 -1.949 -4.717 313 2HG LYS 46 3HG LYS 46 -6.127 -3.004 -3.499 314 1HD LYS 46 2HD LYS 46 -4.822 -0.370 -2.777 315 2HD LYS 46 3HD LYS 46 -6.491 -0.455 -3.228 316 1HE LYS 46 2HE LYS 46 -5.973 -2.500 -1.206 317 2HE LYS 46 3HE LYS 46 -5.419 -0.955 -0.646 318 1HZ LYS 46 1HNZ LYS 46 -8.112 -1.436 -1.794 319 2HZ LYS 46 2HNZ LYS 46 -7.784 -1.309 -0.155 320 3HZ LYS 46 3HNZ LYS 46 -7.625 -0.025 -1.151 321 H ASP 47 HN ASP 47 -4.188 -6.530 -4.281 322 HA ASP 47 HA ASP 47 -6.608 -6.828 -2.804 323 1HB ASP 47 2HB ASP 47 -5.180 -8.787 -4.662 324 2HB ASP 47 3HB ASP 47 -6.902 -8.723 -4.269 325 H GLN 48 HN GLN 48 -3.564 -8.639 -2.966 326 HA GLN 48 HA GLN 48 -4.250 -10.332 -0.606 327 1HB GLN 48 2HB GLN 48 -2.085 -10.367 -2.728 328 2HB GLN 48 3HB GLN 48 -2.084 -11.477 -1.348 329 1HG GLN 48 2HG GLN 48 -4.503 -11.275 -3.191 330 2HG GLN 48 3HG GLN 48 -3.103 -12.252 -3.628 331 1HE2 GLN 48 2HNE GLN 48 -3.651 -14.765 -1.154 332 2HE2 GLN 48 1HNE GLN 48 -2.422 -14.005 -2.151 333 H PHE 49 HN PHE 49 -4.181 -8.167 0.606 334 HA PHE 49 HA PHE 49 -1.400 -7.291 1.259 335 1HB PHE 49 2HB PHE 49 -2.377 -5.279 2.158 336 2HB PHE 49 3HB PHE 49 -2.787 -5.525 0.475 337 HD1 PHE 49 HD2 PHE 49 -5.124 -6.419 -0.119 338 HD2 PHE 49 HD1 PHE 49 -4.149 -4.531 3.572 339 HE1 PHE 49 HE2 PHE 49 -7.523 -6.069 0.323 340 HE2 PHE 49 HE1 PHE 49 -6.532 -4.248 4.101 341 HZ PHE 49 HZ PHE 49 -8.249 -4.988 2.453 342 H GLU 50 HN GLU 50 -0.544 -8.224 3.050 343 HA GLU 50 HA GLU 50 -2.371 -9.209 5.207 344 1HB GLU 50 2HB GLU 50 0.449 -9.957 4.372 345 2HB GLU 50 3HB GLU 50 -0.132 -10.227 5.991 346 1HG GLU 50 2HG GLU 50 -2.054 -11.548 4.975 347 2HG GLU 50 3HG GLU 50 -1.349 -11.269 3.373 348 H GLU 51 HN GLU 51 -2.022 -8.429 7.325 349 HA GLU 51 HA GLU 51 -0.993 -5.739 7.456 350 1HB GLU 51 2HB GLU 51 -3.090 -6.345 8.571 351 2HB GLU 51 3HB GLU 51 -2.283 -7.653 9.462 352 1HG GLU 51 2HG GLU 51 -0.879 -6.110 10.568 353 2HG GLU 51 3HG GLU 51 -1.559 -4.711 9.702 354 H VAL 52 HN VAL 52 0.888 -5.135 8.383 355 HA VAL 52 HA VAL 52 2.959 -7.138 9.142 356 HB VAL 52 HB VAL 52 2.891 -4.283 8.113 357 1HG1 VAL 52 3HG1 VAL 52 5.215 -5.706 9.437 358 2HG1 VAL 52 1HG1 VAL 52 5.373 -4.269 8.390 359 3HG1 VAL 52 2HG1 VAL 52 4.439 -4.159 9.884 360 1HG2 VAL 52 1HG2 VAL 52 2.883 -6.221 6.534 361 2HG2 VAL 52 2HG2 VAL 52 4.214 -5.050 6.372 362 3HG2 VAL 52 3HG2 VAL 52 4.499 -6.640 7.136 363 H GLU 53 HN GLU 53 2.671 -7.624 11.255 364 HA GLU 53 HA GLU 53 1.394 -5.849 13.045 365 1HB GLU 53 2HB GLU 53 1.774 -7.640 14.628 366 2HB GLU 53 3HB GLU 53 0.952 -8.176 13.157 367 1HG GLU 53 2HG GLU 53 3.053 -9.217 12.361 368 2HG GLU 53 3HG GLU 53 3.922 -8.587 13.771 369 H GLU 54 HN GLU 54 3.307 -4.408 12.289 370 HA GLU 54 HA GLU 54 4.965 -3.952 14.720 371 1HB GLU 54 2HB GLU 54 4.694 -2.187 12.257 372 2HB GLU 54 3HB GLU 54 5.822 -2.011 13.608 373 1HG GLU 54 2HG GLU 54 6.760 -4.327 12.951 374 2HG GLU 54 3HG GLU 54 5.810 -4.234 11.506 No H/Q in entry = 374 Start of MODEL 7 1 1H MET 1 1HN MET 1 -5.448 -1.145 9.353 2 2H MET 1 2HN MET 1 -6.432 0.219 9.244 3 3H MET 1 3HN MET 1 -5.275 -0.035 8.174 4 HA MET 1 HA MET 1 -4.950 0.556 11.055 5 1HB MET 1 2HB MET 1 -3.280 2.352 10.167 6 2HB MET 1 3HB MET 1 -3.906 1.953 8.572 7 1HG MET 1 2HG MET 1 -6.052 2.586 9.276 8 2HG MET 1 3HG MET 1 -5.624 2.775 10.960 9 1HE MET 1 3HE MET 1 -3.326 4.502 11.434 10 2HE MET 1 1HE MET 1 -3.972 6.151 11.264 11 3HE MET 1 2HE MET 1 -4.951 4.897 12.051 12 H LYS 2 HN LYS 2 -2.275 1.001 11.102 13 HA LYS 2 HA LYS 2 -0.209 0.125 11.217 14 1HB LYS 2 2HB LYS 2 -1.387 -2.630 10.910 15 2HB LYS 2 3HB LYS 2 0.086 -2.127 11.763 16 1HG LYS 2 2HG LYS 2 -1.430 -0.780 13.332 17 2HG LYS 2 3HG LYS 2 -2.805 -1.600 12.545 18 1HD LYS 2 2HD LYS 2 -1.122 -3.704 12.995 19 2HD LYS 2 3HD LYS 2 -0.743 -2.680 14.393 20 1HE LYS 2 2HE LYS 2 -3.122 -2.713 15.065 21 2HE LYS 2 3HE LYS 2 -3.574 -3.453 13.507 22 1HZ LYS 2 3HNZ LYS 2 -1.845 -4.851 15.410 23 2HZ LYS 2 1HNZ LYS 2 -3.481 -5.082 15.275 24 3HZ LYS 2 2HNZ LYS 2 -2.511 -5.370 13.980 25 H LYS 3 HN LYS 3 1.383 -1.505 10.136 26 HA LYS 3 HA LYS 3 1.440 -0.593 7.380 27 1HB LYS 3 2HB LYS 3 3.373 -2.283 8.990 28 2HB LYS 3 3HB LYS 3 3.692 -1.504 7.436 29 1HG LYS 3 2HG LYS 3 3.231 0.716 8.475 30 2HG LYS 3 3HG LYS 3 2.932 -0.081 10.013 31 1HD LYS 3 2HD LYS 3 5.174 -1.137 9.953 32 2HD LYS 3 3HD LYS 3 5.609 -0.108 8.573 33 1HE LYS 3 2HE LYS 3 5.556 1.864 9.906 34 2HE LYS 3 3HE LYS 3 4.471 1.146 11.108 35 1HZ LYS 3 3HNZ LYS 3 7.252 0.261 10.819 36 2HZ LYS 3 1HNZ LYS 3 6.698 1.362 11.931 37 3HZ LYS 3 2HNZ LYS 3 6.136 -0.147 11.963 38 H TYR 4 HN TYR 4 2.109 -2.115 5.703 39 HA TYR 4 HA TYR 4 0.971 -4.846 6.008 40 1HB TYR 4 2HB TYR 4 -0.002 -2.818 3.997 41 2HB TYR 4 3HB TYR 4 -0.202 -4.537 3.728 42 HD1 TYR 4 HD2 TYR 4 -1.242 -1.736 5.955 43 HD2 TYR 4 HD1 TYR 4 -1.926 -5.782 4.724 44 HE1 TYR 4 HE2 TYR 4 -3.174 -1.868 7.472 45 HE2 TYR 4 HE1 TYR 4 -3.732 -6.001 6.441 46 HH TYR 4 HOH TYR 4 -4.070 -4.295 9.029 47 H THR 5 HN THR 5 1.870 -6.399 4.670 48 HA THR 5 HA THR 5 4.195 -5.611 2.998 49 HB THR 5 HB THR 5 2.907 -8.357 3.207 50 HG1 THR 5 HG1 THR 5 3.458 -7.714 5.262 51 1HG2 THR 5 1HG2 THR 5 5.732 -7.435 2.494 52 2HG2 THR 5 2HG2 THR 5 5.224 -9.119 2.741 53 3HG2 THR 5 3HG2 THR 5 4.564 -8.196 1.390 54 H CYS 6 HN CYN 6 4.349 -5.842 0.654 55 HA CYS 6 HA CYN 6 1.930 -5.372 -0.849 56 1HB CYS 6 2HB CYN 6 4.180 -4.577 -1.499 57 2HB CYS 6 3HB CYN 6 4.668 -6.252 -1.775 58 H THR 7 HN THR 7 1.540 -6.877 -2.817 59 HA THR 7 HA THR 7 0.528 -9.340 -1.733 60 HB THR 7 HB THR 7 -0.572 -7.751 -3.378 61 HG1 THR 7 HG1 THR 7 -1.574 -9.571 -2.991 62 1HG2 THR 7 3HG2 THR 7 1.289 -7.630 -5.070 63 2HG2 THR 7 1HG2 THR 7 0.884 -9.307 -5.517 64 3HG2 THR 7 2HG2 THR 7 -0.313 -8.038 -5.717 65 H VAL 8 HN VAL 8 3.171 -8.524 -4.043 66 HA VAL 8 HA VAL 8 4.291 -11.243 -3.614 67 HB VAL 8 HB VAL 8 4.721 -11.560 -6.008 68 1HG1 VAL 8 3HG1 VAL 8 2.817 -12.671 -4.970 69 2HG1 VAL 8 1HG1 VAL 8 1.753 -11.334 -5.438 70 3HG1 VAL 8 2HG1 VAL 8 2.546 -12.311 -6.682 71 1HG2 VAL 8 2HG2 VAL 8 4.651 -9.247 -6.815 72 2HG2 VAL 8 3HG2 VAL 8 3.518 -10.265 -7.713 73 3HG2 VAL 8 1HG2 VAL 8 2.918 -9.147 -6.477 74 H CYS 9 HN CYN 9 5.071 -8.436 -2.744 75 HA CYS 9 HA CYN 9 7.848 -9.017 -3.184 76 1HB CYS 9 2HB CYN 9 8.576 -6.916 -4.007 77 2HB CYS 9 3HB CYN 9 7.344 -7.510 -5.119 78 H GLY 10 HN GLY 10 8.810 -6.666 -1.934 79 1HA GLY 10 2HA GLY 10 7.800 -7.110 0.828 80 2HA GLY 10 3HA GLY 10 9.243 -6.208 0.352 81 H TYR 11 HN TYR 11 8.978 -4.213 -0.730 82 HA TYR 11 HA TYR 11 8.461 -2.032 -0.060 83 1HB TYR 11 2HB TYR 11 6.603 -2.924 -2.274 84 2HB TYR 11 3HB TYR 11 6.789 -1.244 -1.794 85 HD1 TYR 11 HD2 TYR 11 8.751 -4.173 -3.075 86 HD2 TYR 11 HD1 TYR 11 8.554 0.106 -2.583 87 HE1 TYR 11 HE2 TYR 11 10.640 -3.912 -4.636 88 HE2 TYR 11 HE1 TYR 11 10.496 0.360 -4.102 89 HH TYR 11 HOH TYR 11 12.041 -2.437 -5.703 90 H ILE 12 HN ILE 12 7.781 -2.747 2.141 91 HA ILE 12 HA ILE 12 5.121 -3.189 2.791 92 HB ILE 12 HB ILE 12 7.531 -2.300 4.362 93 1HG1 ILE 12 2HG1 ILE 12 5.615 -4.668 4.594 94 2HG1 ILE 12 3HG1 ILE 12 7.039 -4.668 3.552 95 1HG2 ILE 12 2HG2 ILE 12 4.716 -2.476 5.519 96 2HG2 ILE 12 3HG2 ILE 12 6.203 -2.412 6.483 97 3HG2 ILE 12 1HG2 ILE 12 5.756 -1.033 5.507 98 1HD1 ILE 12 2HD1 ILE 12 8.497 -4.348 5.535 99 2HD1 ILE 12 3HD1 ILE 12 7.067 -4.450 6.590 100 3HD1 ILE 12 1HD1 ILE 12 7.532 -5.837 5.602 101 H TYR 13 HN TYR 13 3.381 -2.008 2.837 102 HA TYR 13 HA TYR 13 3.419 0.873 2.288 103 1HB TYR 13 2HB TYR 13 1.687 -0.588 1.362 104 2HB TYR 13 3HB TYR 13 1.226 -1.098 2.996 105 HD1 TYR 13 HD2 TYR 13 0.036 0.466 4.528 106 HD2 TYR 13 HD1 TYR 13 0.711 1.374 0.405 107 HE1 TYR 13 HE2 TYR 13 -1.504 2.393 4.672 108 HE2 TYR 13 HE1 TYR 13 -0.324 3.635 0.732 109 HH TYR 13 HOH TYR 13 -2.289 4.346 3.654 110 H ASN 14 HN ASN 14 3.131 2.457 3.836 111 HA ASN 14 HA ASN 14 2.629 1.652 6.659 112 1HB ASN 14 2HB ASN 14 5.030 2.188 6.301 113 2HB ASN 14 3HB ASN 14 4.572 3.781 5.694 114 1HD2 ASN 14 2HND ASN 14 5.353 4.299 9.238 115 2HD2 ASN 14 1HND ASN 14 6.064 4.301 7.671 116 HA PRO 15 HA PRO 15 -0.666 4.364 5.510 117 1HB PRO 15 2HB PRO 15 -2.115 4.320 7.915 118 2HB PRO 15 3HB PRO 15 -2.251 3.095 6.640 119 1HG PRO 15 2HG PRO 15 -0.763 2.940 9.218 120 2HG PRO 15 3HG PRO 15 -1.550 1.661 8.249 121 1HD PRO 15 2HD PRO 15 1.187 2.201 8.386 122 2HD PRO 15 3HD PRO 15 0.479 1.234 7.103 123 H GLU 16 HN GLU 16 1.123 4.766 8.572 124 HA GLU 16 HA GLU 16 0.243 7.391 9.112 125 1HB GLU 16 2HB GLU 16 2.890 6.006 9.689 126 2HB GLU 16 3HB GLU 16 2.327 7.516 10.402 127 1HG GLU 16 2HG GLU 16 0.213 6.195 11.136 128 2HG GLU 16 3HG GLU 16 1.114 4.726 10.723 129 H ASP 17 HN ASP 17 2.535 6.123 6.802 130 HA ASP 17 HA ASP 17 3.601 8.839 6.113 131 1HB ASP 17 2HB ASP 17 4.375 6.013 5.370 132 2HB ASP 17 3HB ASP 17 5.014 7.428 4.526 133 H GLY 18 HN GLY 18 1.456 6.262 4.964 134 1HA GLY 18 2HA GLY 18 0.082 6.115 3.218 135 2HA GLY 18 3HA GLY 18 0.288 7.848 2.880 136 H ASP 19 HN ASP 19 0.380 7.307 0.634 137 HA ASP 19 HA ASP 19 3.110 6.855 -0.328 138 1HB ASP 19 2HB ASP 19 0.891 4.932 -0.821 139 2HB ASP 19 3HB ASP 19 1.639 5.502 -2.296 140 HA PRO 20 HA PRO 20 0.244 10.343 -1.565 141 1HB PRO 20 2HB PRO 20 1.979 12.472 -1.180 142 2HB PRO 20 3HB PRO 20 0.896 11.782 0.065 143 1HG PRO 20 2HG PRO 20 3.826 11.190 -0.388 144 2HG PRO 20 3HG PRO 20 2.996 11.506 1.163 145 1HD PRO 20 2HD PRO 20 3.556 8.987 0.373 146 2HD PRO 20 3HD PRO 20 1.993 9.355 1.157 147 H ASP 21 HN ASP 21 3.704 9.867 -2.487 148 HA ASP 21 HA ASP 21 3.778 11.344 -4.819 149 1HB ASP 21 2HB ASP 21 5.095 8.667 -4.143 150 2HB ASP 21 3HB ASP 21 5.660 9.849 -5.327 151 H ASN 22 HN ASN 22 2.310 8.262 -4.107 152 HA ASN 22 HA ASN 22 1.802 7.568 -6.940 153 1HB ASN 22 2HB ASN 22 1.075 6.054 -4.413 154 2HB ASN 22 3HB ASN 22 1.089 5.424 -6.053 155 1HD2 ASN 22 2HND ASN 22 4.499 5.541 -3.802 156 2HD2 ASN 22 1HND ASN 22 3.143 6.527 -3.367 157 H GLY 23 HN GLY 23 0.285 8.818 -4.109 158 1HA GLY 23 2HA GLY 23 -1.530 10.364 -4.831 159 2HA GLY 23 3HA GLY 23 -2.368 8.960 -5.503 160 H VAL 24 HN VAL 24 -0.802 7.987 -2.651 161 HA VAL 24 HA VAL 24 -3.440 7.948 -1.258 162 HB VAL 24 HB VAL 24 -0.928 6.286 -1.066 163 1HG1 VAL 24 2HG1 VAL 24 -3.507 6.131 0.519 164 2HG1 VAL 24 3HG1 VAL 24 -2.317 4.822 0.424 165 3HG1 VAL 24 1HG1 VAL 24 -1.860 6.368 1.160 166 1HG2 VAL 24 2HG2 VAL 24 -2.395 5.880 -3.060 167 2HG2 VAL 24 3HG2 VAL 24 -2.349 4.497 -1.951 168 3HG2 VAL 24 1HG2 VAL 24 -3.759 5.580 -1.967 169 H ASN 25 HN ASN 25 -3.699 9.516 0.214 170 HA ASN 25 HA ASN 25 -1.528 11.140 1.129 171 1HB ASN 25 2HB ASN 25 -4.475 10.877 1.842 172 2HB ASN 25 3HB ASN 25 -3.418 11.878 2.824 173 1HD2 ASN 25 2HND ASN 25 -4.093 13.092 -1.060 174 2HD2 ASN 25 1HND ASN 25 -4.233 11.391 -0.696 175 HA PRO 26 HA PRO 26 -0.252 8.938 4.809 176 1HB PRO 26 2HB PRO 26 0.100 11.007 6.635 177 2HB PRO 26 3HB PRO 26 1.281 10.477 5.417 178 1HG PRO 26 2HG PRO 26 -0.638 12.791 5.272 179 2HG PRO 26 3HG PRO 26 1.065 12.690 4.708 180 1HD PRO 26 2HD PRO 26 -1.076 12.491 3.012 181 2HD PRO 26 3HD PRO 26 0.446 11.593 2.734 182 H GLY 27 HN GLY 27 -1.090 8.182 6.647 183 1HA GLY 27 2HA GLY 27 -2.632 7.602 8.212 184 2HA GLY 27 3HA GLY 27 -3.498 9.129 7.962 185 H THR 28 HN THR 28 -2.928 7.129 5.005 186 HA THR 28 HA THR 28 -5.835 6.648 5.002 187 HB THR 28 HB THR 28 -3.645 6.223 2.924 188 HG1 THR 28 HG1 THR 28 -4.056 8.368 3.102 189 1HG2 THR 28 1HG2 THR 28 -6.661 5.903 2.834 190 2HG2 THR 28 2HG2 THR 28 -5.630 5.967 1.387 191 3HG2 THR 28 3HG2 THR 28 -5.419 4.654 2.563 192 H ASP 29 HN ASP 29 -6.575 4.841 5.784 193 HA ASP 29 HA ASP 29 -4.999 2.605 6.583 194 1HB ASP 29 2HB ASP 29 -7.381 3.256 7.286 195 2HB ASP 29 3HB ASP 29 -7.930 2.522 5.793 196 H PHE 30 HN PHE 30 -4.389 0.846 5.494 197 HA PHE 30 HA PHE 30 -4.171 0.592 2.719 198 1HB PHE 30 2HB PHE 30 -3.213 -0.793 4.714 199 2HB PHE 30 3HB PHE 30 -4.631 -1.817 4.504 200 HD1 PHE 30 HD2 PHE 30 -5.015 -2.762 2.028 201 HD2 PHE 30 HD1 PHE 30 -1.331 -1.036 3.424 202 HE1 PHE 30 HE2 PHE 30 -3.865 -3.488 -0.043 203 HE2 PHE 30 HE1 PHE 30 -0.149 -1.996 1.449 204 HZ PHE 30 HZ PHE 30 -1.389 -3.204 -0.229 205 H LYS 31 HN LYS 31 -6.981 -0.163 4.860 206 HA LYS 31 HA LYS 31 -8.242 -1.713 2.736 207 1HB LYS 31 2HB LYS 31 -10.131 -1.903 4.079 208 2HB LYS 31 3HB LYS 31 -8.697 -2.086 5.111 209 1HG LYS 31 2HG LYS 31 -8.913 0.387 5.636 210 2HG LYS 31 3HG LYS 31 -10.412 0.365 4.724 211 1HD LYS 31 2HD LYS 31 -11.309 -1.371 6.278 212 2HD LYS 31 3HD LYS 31 -9.765 -1.362 7.145 213 1HE LYS 31 2HE LYS 31 -11.471 -0.013 8.364 214 2HE LYS 31 3HE LYS 31 -10.079 0.954 7.869 215 1HZ LYS 31 2HNZ LYS 31 -12.646 0.908 6.423 216 2HZ LYS 31 3HNZ LYS 31 -12.112 2.114 7.415 217 3HZ LYS 31 1HNZ LYS 31 -11.336 1.798 6.027 218 H ASP 32 HN ASP 32 -8.191 1.673 3.720 219 HA ASP 32 HA ASP 32 -10.449 2.485 2.067 220 1HB ASP 32 2HB ASP 32 -8.408 4.018 3.742 221 2HB ASP 32 3HB ASP 32 -9.674 4.779 2.783 222 H ILE 33 HN ILE 33 -6.974 1.966 1.549 223 HA ILE 33 HA ILE 33 -6.388 3.823 -0.358 224 HB ILE 33 HB ILE 33 -5.741 0.914 -0.218 225 1HG1 ILE 33 2HG1 ILE 33 -4.413 3.464 0.710 226 2HG1 ILE 33 3HG1 ILE 33 -4.979 2.208 1.729 227 1HG2 ILE 33 1HG2 ILE 33 -5.305 1.793 -2.465 228 2HG2 ILE 33 2HG2 ILE 33 -4.204 2.979 -1.699 229 3HG2 ILE 33 3HG2 ILE 33 -3.897 1.221 -1.579 230 1HD1 ILE 33 1HD1 ILE 33 -3.267 0.643 0.547 231 2HD1 ILE 33 2HD1 ILE 33 -2.528 2.164 -0.033 232 3HD1 ILE 33 3HD1 ILE 33 -2.679 1.835 1.701 233 HA PRO 34 HA PRO 34 -9.523 2.735 -3.431 234 1HB PRO 34 2HB PRO 34 -8.054 3.854 -5.624 235 2HB PRO 34 3HB PRO 34 -9.399 4.599 -4.734 236 1HG PRO 34 2HG PRO 34 -6.598 5.324 -4.699 237 2HG PRO 34 3HG PRO 34 -7.916 6.033 -3.725 238 1HD PRO 34 2HD PRO 34 -5.847 4.090 -2.891 239 2HD PRO 34 3HD PRO 34 -6.934 5.070 -1.891 240 H ASP 35 HN ASP 35 -9.781 0.898 -4.804 241 HA ASP 35 HA ASP 35 -7.615 -0.935 -5.046 242 1HB ASP 35 2HB ASP 35 -10.506 -0.731 -5.959 243 2HB ASP 35 3HB ASP 35 -9.453 -2.037 -6.410 244 H ASP 36 HN ASP 36 -8.383 1.815 -6.942 245 HA ASP 36 HA ASP 36 -7.130 0.825 -9.367 246 1HB ASP 36 2HB ASP 36 -7.326 3.129 -10.094 247 2HB ASP 36 3HB ASP 36 -8.873 2.543 -9.483 248 H TRP 37 HN TRP 37 -5.941 1.742 -6.275 249 HA TRP 37 HA TRP 37 -3.509 3.026 -7.212 250 1HB TRP 37 2HB TRP 37 -4.409 3.488 -4.993 251 2HB TRP 37 3HB TRP 37 -4.287 1.783 -4.578 252 HD1 TRP 37 HD TRP 37 -1.918 4.761 -5.176 253 HE1 TRP 37 HNE TRP 37 0.275 4.272 -3.925 254 HE3 TRP 37 HE TRP 37 -2.844 -0.032 -3.817 255 HZ2 TRP 37 HZ1 TRP 37 1.486 2.053 -2.509 256 HZ3 TRP 37 HZ2 TRP 37 -1.146 -1.356 -2.524 257 HH2 TRP 37 HH TRP 37 1.012 -0.308 -1.877 258 H VAL 38 HN VAL 38 -1.401 2.112 -7.012 259 HA VAL 38 HA VAL 38 -1.167 -0.827 -7.426 260 HB VAL 38 HB VAL 38 -0.326 1.434 -9.307 261 1HG1 VAL 38 3HG1 VAL 38 1.396 -0.370 -9.289 262 2HG1 VAL 38 1HG1 VAL 38 0.091 -1.533 -9.707 263 3HG1 VAL 38 2HG1 VAL 38 0.541 -0.243 -10.827 264 1HG2 VAL 38 3HG2 VAL 38 -2.320 -0.867 -9.587 265 2HG2 VAL 38 1HG2 VAL 38 -2.686 0.869 -9.605 266 3HG2 VAL 38 2HG2 VAL 38 -1.789 0.151 -10.939 267 H CYS 39 HN CYN 39 1.088 -1.576 -7.113 268 HA CYS 39 HA CYN 39 2.294 -0.144 -4.882 269 1HB CYS 39 2HB CYN 39 1.975 -2.442 -4.567 270 2HB CYS 39 3HB CYN 39 2.674 -2.868 -6.134 271 HA PRO 40 HA PRO 40 5.161 1.809 -7.702 272 1HB PRO 40 2HB PRO 40 7.111 2.686 -5.947 273 2HB PRO 40 3HB PRO 40 5.499 3.420 -6.088 274 1HG PRO 40 2HG PRO 40 6.407 1.330 -4.092 275 2HG PRO 40 3HG PRO 40 5.542 2.862 -3.752 276 1HD PRO 40 2HD PRO 40 4.239 0.503 -3.943 277 2HD PRO 40 3HD PRO 40 3.507 1.990 -4.624 278 H LEU 41 HN LEU 41 7.058 1.292 -8.799 279 HA LEU 41 HA LEU 41 8.790 0.111 -9.607 280 1HB LEU 41 2HB LEU 41 9.177 -0.572 -6.677 281 2HB LEU 41 3HB LEU 41 10.096 -1.404 -7.903 282 HG LEU 41 HG LEU 41 11.134 0.590 -6.766 283 1HD1 LEU 41 1HD1 LEU 41 12.080 -0.470 -8.774 284 2HD1 LEU 41 2HD1 LEU 41 11.064 0.545 -9.819 285 3HD1 LEU 41 3HD1 LEU 41 12.328 1.283 -8.816 286 1HD2 LEU 41 1HD2 LEU 41 9.249 2.177 -6.931 287 2HD2 LEU 41 2HD2 LEU 41 10.734 2.814 -7.654 288 3HD2 LEU 41 3HD2 LEU 41 9.437 2.222 -8.701 289 H CYS 42 HN CYN 42 7.207 -2.053 -7.275 290 HA CYS 42 HA CYN 42 7.454 -4.468 -8.789 291 1HB CYS 42 2HB CYN 42 7.158 -4.688 -6.529 292 2HB CYS 42 3HB CYN 42 5.925 -3.429 -6.455 293 H GLY 43 HN GLY 43 4.588 -2.243 -8.373 294 1HA GLY 43 2HA GLY 43 3.241 -1.667 -10.241 295 2HA GLY 43 3HA GLY 43 3.566 -3.212 -11.019 296 H VAL 44 HN VAL 44 2.079 -4.870 -10.636 297 HA VAL 44 HA VAL 44 -0.390 -4.001 -9.543 298 HB VAL 44 HB VAL 44 0.468 -6.784 -10.395 299 1HG1 VAL 44 3HG1 VAL 44 -2.301 -5.604 -9.861 300 2HG1 VAL 44 1HG1 VAL 44 -1.994 -7.161 -10.655 301 3HG1 VAL 44 2HG1 VAL 44 -1.534 -6.933 -8.966 302 1HG2 VAL 44 2HG2 VAL 44 -1.037 -4.544 -11.836 303 2HG2 VAL 44 3HG2 VAL 44 0.610 -5.091 -12.214 304 3HG2 VAL 44 1HG2 VAL 44 -0.761 -6.175 -12.476 305 H GLY 45 HN GLY 45 -0.693 -3.609 -7.472 306 1HA GLY 45 2HA GLY 45 -0.085 -5.661 -5.396 307 2HA GLY 45 3HA GLY 45 0.294 -3.948 -5.160 308 H LYS 46 HN LYS 46 -1.252 -4.290 -3.305 309 HA LYS 46 HA LYS 46 -3.266 -4.248 -2.284 310 1HB LYS 46 2HB LYS 46 -3.485 -2.113 -2.841 311 2HB LYS 46 3HB LYS 46 -3.673 -2.389 -4.574 312 1HG LYS 46 2HG LYS 46 -5.898 -2.546 -4.480 313 2HG LYS 46 3HG LYS 46 -5.965 -3.420 -2.960 314 1HD LYS 46 2HD LYS 46 -5.255 -0.484 -3.000 315 2HD LYS 46 3HD LYS 46 -6.912 -1.046 -3.072 316 1HE LYS 46 2HE LYS 46 -5.836 -2.602 -0.988 317 2HE LYS 46 3HE LYS 46 -5.140 -1.026 -0.750 318 1HZ LYS 46 3HNZ LYS 46 -7.537 -0.196 -1.001 319 2HZ LYS 46 1HNZ LYS 46 -8.023 -1.740 -0.954 320 3HZ LYS 46 2HNZ LYS 46 -7.207 -1.059 0.353 321 H ASP 47 HN ASP 47 -2.862 -6.510 -2.903 322 HA ASP 47 HA ASP 47 -5.500 -7.465 -2.757 323 1HB ASP 47 2HB ASP 47 -5.234 -7.857 -5.207 324 2HB ASP 47 3HB ASP 47 -3.738 -8.760 -4.900 325 H GLN 48 HN GLN 48 -5.358 -9.637 -1.832 326 HA GLN 48 HA GLN 48 -4.672 -10.823 0.053 327 1HB GLN 48 2HB GLN 48 -3.784 -11.668 -2.361 328 2HB GLN 48 3HB GLN 48 -2.219 -11.463 -1.583 329 1HG GLN 48 2HG GLN 48 -2.787 -13.701 -1.134 330 2HG GLN 48 3HG GLN 48 -3.250 -12.887 0.363 331 1HE2 GLN 48 2HNE GLN 48 -6.121 -14.467 -2.159 332 2HE2 GLN 48 1HNE GLN 48 -4.470 -14.258 -2.715 333 H PHE 49 HN PHE 49 -3.922 -8.207 0.647 334 HA PHE 49 HA PHE 49 -1.089 -7.987 1.231 335 1HB PHE 49 2HB PHE 49 -1.913 -5.811 2.345 336 2HB PHE 49 3HB PHE 49 -2.031 -5.962 0.614 337 HD1 PHE 49 HD1 PHE 49 -4.048 -6.062 3.762 338 HD2 PHE 49 HD2 PHE 49 -4.185 -6.096 -0.541 339 HE1 PHE 49 HE1 PHE 49 -6.421 -5.400 3.841 340 HE2 PHE 49 HE2 PHE 49 -6.592 -5.501 -0.462 341 HZ PHE 49 HZ PHE 49 -7.703 -5.103 1.729 342 H GLU 50 HN GLU 50 -0.024 -8.378 3.135 343 HA GLU 50 HA GLU 50 -1.559 -9.607 5.375 344 1HB GLU 50 2HB GLU 50 1.417 -9.506 4.730 345 2HB GLU 50 3HB GLU 50 0.697 -10.338 6.091 346 1HG GLU 50 2HG GLU 50 -0.614 -11.769 4.471 347 2HG GLU 50 3HG GLU 50 0.243 -10.982 3.133 348 H GLU 51 HN GLU 51 -1.540 -8.581 7.470 349 HA GLU 51 HA GLU 51 -0.686 -5.808 7.546 350 1HB GLU 51 2HB GLU 51 -2.779 -6.396 8.647 351 2HB GLU 51 3HB GLU 51 -2.015 -7.716 9.540 352 1HG GLU 51 2HG GLU 51 -0.759 -6.311 10.843 353 2HG GLU 51 3HG GLU 51 -1.078 -4.851 9.873 354 H VAL 52 HN VAL 52 1.054 -5.036 8.604 355 HA VAL 52 HA VAL 52 3.152 -6.880 9.599 356 HB VAL 52 HB VAL 52 3.071 -4.180 8.191 357 1HG1 VAL 52 1HG1 VAL 52 5.427 -5.481 9.603 358 2HG1 VAL 52 2HG1 VAL 52 5.522 -4.068 8.518 359 3HG1 VAL 52 3HG1 VAL 52 4.634 -3.947 10.041 360 1HG2 VAL 52 2HG2 VAL 52 3.052 -6.176 6.784 361 2HG2 VAL 52 3HG2 VAL 52 4.488 -5.153 6.600 362 3HG2 VAL 52 1HG2 VAL 52 4.597 -6.687 7.506 363 H GLU 53 HN GLU 53 2.723 -7.005 11.787 364 HA GLU 53 HA GLU 53 1.399 -4.897 13.211 365 1HB GLU 53 2HB GLU 53 1.518 -6.445 15.024 366 2HB GLU 53 3HB GLU 53 0.787 -7.142 13.573 367 1HG GLU 53 2HG GLU 53 2.947 -8.383 13.153 368 2HG GLU 53 3HG GLU 53 3.591 -7.716 14.653 369 H GLU 54 HN GLU 54 3.419 -3.615 12.419 370 HA GLU 54 HA GLU 54 4.798 -2.801 14.837 371 1HB GLU 54 2HB GLU 54 7.088 -2.896 13.845 372 2HB GLU 54 3HB GLU 54 6.425 -4.491 14.217 373 1HG GLU 54 2HG GLU 54 5.970 -4.951 11.904 374 2HG GLU 54 3HG GLU 54 6.292 -3.263 11.441 No H/Q in entry = 374 Start of MODEL 8 1 1H MET 1 1HN MET 1 -5.355 -1.147 9.033 2 2H MET 1 2HN MET 1 -6.393 0.182 8.988 3 3H MET 1 3HN MET 1 -5.203 0.034 7.920 4 HA MET 1 HA MET 1 -4.988 0.497 10.819 5 1HB MET 1 2HB MET 1 -3.246 2.321 9.934 6 2HB MET 1 3HB MET 1 -4.029 2.050 8.394 7 1HG MET 1 2HG MET 1 -6.110 2.742 9.362 8 2HG MET 1 3HG MET 1 -5.500 2.604 11.000 9 1HE MET 1 3HE MET 1 -6.024 4.613 12.147 10 2HE MET 1 1HE MET 1 -6.033 6.232 11.420 11 3HE MET 1 2HE MET 1 -7.112 4.966 10.782 12 H LYS 2 HN LYS 2 -2.372 1.018 11.073 13 HA LYS 2 HA LYS 2 -0.241 0.249 11.137 14 1HB LYS 2 2HB LYS 2 -1.361 -2.535 10.897 15 2HB LYS 2 3HB LYS 2 0.123 -2.013 11.717 16 1HG LYS 2 2HG LYS 2 -1.322 -0.740 13.367 17 2HG LYS 2 3HG LYS 2 -2.744 -1.471 12.556 18 1HD LYS 2 2HD LYS 2 -1.340 -3.695 12.823 19 2HD LYS 2 3HD LYS 2 -0.567 -2.834 14.154 20 1HE LYS 2 2HE LYS 2 -3.595 -3.195 13.743 21 2HE LYS 2 3HE LYS 2 -2.616 -4.335 14.661 22 1HZ LYS 2 2HNZ LYS 2 -2.933 -1.475 15.315 23 2HZ LYS 2 3HNZ LYS 2 -3.683 -2.723 16.089 24 3HZ LYS 2 1HNZ LYS 2 -2.046 -2.564 16.177 25 H LYS 3 HN LYS 3 1.371 -1.388 10.079 26 HA LYS 3 HA LYS 3 1.409 -0.571 7.291 27 1HB LYS 3 2HB LYS 3 3.313 -2.224 8.958 28 2HB LYS 3 3HB LYS 3 3.640 -1.547 7.358 29 1HG LYS 3 2HG LYS 3 3.239 0.750 8.244 30 2HG LYS 3 3HG LYS 3 2.915 0.090 9.832 31 1HD LYS 3 2HD LYS 3 5.104 0.585 10.200 32 2HD LYS 3 3HD LYS 3 5.089 -1.111 9.714 33 1HE LYS 3 2HE LYS 3 5.687 -0.247 7.337 34 2HE LYS 3 3HE LYS 3 6.108 1.265 8.155 35 1HZ LYS 3 1HNZ LYS 3 7.594 -0.069 9.599 36 2HZ LYS 3 2HNZ LYS 3 7.230 -1.395 8.839 37 3HZ LYS 3 3HNZ LYS 3 8.041 -0.205 7.997 38 H TYR 4 HN TYR 4 2.082 -2.184 5.662 39 HA TYR 4 HA TYR 4 0.744 -4.826 5.986 40 1HB TYR 4 2HB TYR 4 -0.048 -2.626 4.098 41 2HB TYR 4 3HB TYR 4 -0.331 -4.294 3.634 42 HD1 TYR 4 HD2 TYR 4 -1.949 -5.680 4.702 43 HD2 TYR 4 HD1 TYR 4 -1.380 -1.622 5.960 44 HE1 TYR 4 HE2 TYR 4 -3.891 -5.885 6.254 45 HE2 TYR 4 HE1 TYR 4 -3.506 -1.692 7.172 46 HH TYR 4 HOH TYR 4 -5.284 -4.731 7.732 47 H THR 5 HN THR 5 1.509 -6.481 4.584 48 HA THR 5 HA THR 5 3.914 -5.968 3.028 49 HB THR 5 HB THR 5 3.784 -8.320 2.456 50 HG1 THR 5 HG1 THR 5 2.038 -9.552 3.058 51 1HG2 THR 5 3HG2 THR 5 4.561 -7.637 4.770 52 2HG2 THR 5 1HG2 THR 5 2.930 -8.023 5.368 53 3HG2 THR 5 2HG2 THR 5 3.933 -9.293 4.655 54 H CYS 6 HN CYN 6 3.992 -6.911 0.755 55 HA CYS 6 HA CYN 6 1.744 -6.089 -1.007 56 1HB CYS 6 2HB CYN 6 3.578 -4.665 -1.535 57 2HB CYS 6 3HB CYN 6 4.754 -5.955 -1.268 58 H THR 7 HN THR 7 1.797 -7.610 -2.955 59 HA THR 7 HA THR 7 1.636 -10.348 -2.322 60 HB THR 7 HB THR 7 1.949 -10.410 -4.960 61 HG1 THR 7 HG1 THR 7 2.780 -8.152 -4.981 62 1HG2 THR 7 3HG2 THR 7 -0.334 -8.889 -3.618 63 2HG2 THR 7 1HG2 THR 7 -0.381 -9.613 -5.236 64 3HG2 THR 7 2HG2 THR 7 -0.223 -10.655 -3.808 65 H VAL 8 HN VAL 8 4.375 -8.449 -3.754 66 HA VAL 8 HA VAL 8 6.243 -10.550 -2.887 67 HB VAL 8 HB VAL 8 7.198 -10.741 -5.241 68 1HG1 VAL 8 1HG1 VAL 8 5.917 -12.550 -4.107 69 2HG1 VAL 8 2HG1 VAL 8 4.460 -11.990 -4.962 70 3HG1 VAL 8 3HG1 VAL 8 5.858 -12.569 -5.874 71 1HG2 VAL 8 3HG2 VAL 8 5.931 -8.829 -6.258 72 2HG2 VAL 8 1HG2 VAL 8 5.761 -10.357 -7.139 73 3HG2 VAL 8 2HG2 VAL 8 4.438 -9.784 -6.112 74 H CYS 9 HN CYN 9 5.775 -7.410 -2.636 75 HA CYS 9 HA CYN 9 8.609 -6.707 -3.289 76 1HB CYS 9 2HB CYN 9 6.282 -4.887 -2.722 77 2HB CYS 9 3HB CYN 9 7.953 -4.460 -3.094 78 H GLY 10 HN GLY 10 10.009 -6.794 -1.651 79 1HA GLY 10 2HA GLY 10 9.231 -6.684 1.166 80 2HA GLY 10 3HA GLY 10 10.865 -6.738 0.491 81 H TYR 11 HN TYR 11 8.115 -4.466 0.167 82 HA TYR 11 HA TYR 11 9.897 -2.187 1.006 83 1HB TYR 11 2HB TYR 11 7.467 -2.170 -0.823 84 2HB TYR 11 3HB TYR 11 8.320 -0.736 -0.259 85 HD1 TYR 11 HD1 TYR 11 11.179 -1.377 -0.590 86 HD2 TYR 11 HD2 TYR 11 7.803 -2.139 -3.169 87 HE1 TYR 11 HE1 TYR 11 12.690 -1.552 -2.517 88 HE2 TYR 11 HE2 TYR 11 9.335 -2.437 -5.076 89 HH TYR 11 HOH TYR 11 12.880 -1.991 -4.763 90 H ILE 12 HN ILE 12 6.585 -3.461 1.122 91 HA ILE 12 HA ILE 12 5.000 -3.414 2.642 92 HB ILE 12 HB ILE 12 7.313 -2.812 4.464 93 1HG1 ILE 12 2HG1 ILE 12 5.081 -4.830 4.680 94 2HG1 ILE 12 3HG1 ILE 12 6.442 -5.080 3.584 95 1HG2 ILE 12 3HG2 ILE 12 4.440 -2.504 5.373 96 2HG2 ILE 12 1HG2 ILE 12 5.859 -2.601 6.426 97 3HG2 ILE 12 2HG2 ILE 12 5.675 -1.226 5.349 98 1HD1 ILE 12 2HD1 ILE 12 6.746 -4.673 6.587 99 2HD1 ILE 12 3HD1 ILE 12 6.799 -6.220 5.725 100 3HD1 ILE 12 1HD1 ILE 12 8.039 -4.991 5.410 101 H TYR 13 HN TYR 13 3.287 -2.172 2.836 102 HA TYR 13 HA TYR 13 3.446 0.693 2.134 103 1HB TYR 13 2HB TYR 13 1.620 -0.677 1.251 104 2HB TYR 13 3HB TYR 13 1.201 -1.182 2.897 105 HD1 TYR 13 HD2 TYR 13 -0.045 0.287 4.406 106 HD2 TYR 13 HD1 TYR 13 0.874 1.458 0.406 107 HE1 TYR 13 HE2 TYR 13 -1.523 2.262 4.633 108 HE2 TYR 13 HE1 TYR 13 -0.182 3.694 0.807 109 HH TYR 13 HOH TYR 13 -2.252 4.319 3.672 110 H ASN 14 HN ASN 14 3.127 2.350 3.637 111 HA ASN 14 HA ASN 14 2.601 1.605 6.465 112 1HB ASN 14 2HB ASN 14 5.006 2.170 6.097 113 2HB ASN 14 3HB ASN 14 4.521 3.748 5.486 114 1HD2 ASN 14 2HND ASN 14 5.376 4.172 9.071 115 2HD2 ASN 14 1HND ASN 14 6.014 4.299 7.440 116 HA PRO 15 HA PRO 15 -0.633 4.414 5.388 117 1HB PRO 15 2HB PRO 15 -2.080 4.343 7.791 118 2HB PRO 15 3HB PRO 15 -2.250 3.143 6.495 119 1HG PRO 15 2HG PRO 15 -0.782 2.870 9.058 120 2HG PRO 15 3HG PRO 15 -1.590 1.659 8.018 121 1HD PRO 15 2HD PRO 15 1.168 2.139 8.206 122 2HD PRO 15 3HD PRO 15 0.443 1.220 6.893 123 H GLU 16 HN GLU 16 1.183 4.709 8.470 124 HA GLU 16 HA GLU 16 0.295 7.353 9.004 125 1HB GLU 16 2HB GLU 16 2.869 5.910 9.738 126 2HB GLU 16 3HB GLU 16 2.321 7.454 10.371 127 1HG GLU 16 2HG GLU 16 0.076 6.076 10.909 128 2HG GLU 16 3HG GLU 16 1.172 4.688 10.834 129 H ASP 17 HN ASP 17 2.619 6.047 6.774 130 HA ASP 17 HA ASP 17 3.782 8.717 6.094 131 1HB ASP 17 2HB ASP 17 4.299 5.901 5.104 132 2HB ASP 17 3HB ASP 17 5.126 7.333 4.494 133 H GLY 18 HN GLY 18 1.518 6.233 4.946 134 1HA GLY 18 2HA GLY 18 0.177 6.077 3.198 135 2HA GLY 18 3HA GLY 18 0.356 7.806 2.859 136 H ASP 19 HN ASP 19 0.460 7.194 0.617 137 HA ASP 19 HA ASP 19 3.204 6.754 -0.319 138 1HB ASP 19 2HB ASP 19 0.962 4.835 -0.849 139 2HB ASP 19 3HB ASP 19 1.859 5.332 -2.266 140 HA PRO 20 HA PRO 20 0.383 10.182 -1.782 141 1HB PRO 20 2HB PRO 20 2.114 12.315 -1.393 142 2HB PRO 20 3HB PRO 20 0.934 11.702 -0.192 143 1HG PRO 20 2HG PRO 20 3.889 11.101 -0.392 144 2HG PRO 20 3HG PRO 20 2.929 11.449 1.077 145 1HD PRO 20 2HD PRO 20 3.598 8.915 0.376 146 2HD PRO 20 3HD PRO 20 2.001 9.275 1.085 147 H ASP 21 HN ASP 21 3.838 9.506 -2.494 148 HA ASP 21 HA ASP 21 4.084 10.942 -4.872 149 1HB ASP 21 2HB ASP 21 5.312 8.325 -3.867 150 2HB ASP 21 3HB ASP 21 5.894 9.237 -5.262 151 H ASN 22 HN ASN 22 2.475 7.938 -4.097 152 HA ASN 22 HA ASN 22 2.085 7.177 -6.941 153 1HB ASN 22 2HB ASN 22 1.319 5.686 -4.418 154 2HB ASN 22 3HB ASN 22 1.348 5.037 -6.051 155 1HD2 ASN 22 2HND ASN 22 4.744 5.212 -3.764 156 2HD2 ASN 22 1HND ASN 22 3.359 6.159 -3.343 157 H GLY 23 HN GLY 23 0.477 8.433 -4.166 158 1HA GLY 23 2HA GLY 23 -1.282 10.011 -4.944 159 2HA GLY 23 3HA GLY 23 -2.108 8.641 -5.688 160 H VAL 24 HN VAL 24 -0.619 8.014 -2.576 161 HA VAL 24 HA VAL 24 -3.330 7.953 -1.278 162 HB VAL 24 HB VAL 24 -0.890 6.187 -1.145 163 1HG1 VAL 24 2HG1 VAL 24 -3.315 6.222 0.661 164 2HG1 VAL 24 3HG1 VAL 24 -2.225 4.833 0.493 165 3HG1 VAL 24 1HG1 VAL 24 -1.605 6.355 1.149 166 1HG2 VAL 24 2HG2 VAL 24 -2.603 5.820 -2.978 167 2HG2 VAL 24 3HG2 VAL 24 -2.467 4.455 -1.850 168 3HG2 VAL 24 1HG2 VAL 24 -3.832 5.584 -1.727 169 H ASN 25 HN ASN 25 -3.527 9.543 0.150 170 HA ASN 25 HA ASN 25 -1.307 11.107 1.069 171 1HB ASN 25 2HB ASN 25 -4.272 10.950 1.729 172 2HB ASN 25 3HB ASN 25 -3.209 11.907 2.747 173 1HD2 ASN 25 2HND ASN 25 -3.617 13.135 -1.177 174 2HD2 ASN 25 1HND ASN 25 -3.718 11.426 -0.829 175 HA PRO 26 HA PRO 26 -0.151 8.919 4.781 176 1HB PRO 26 2HB PRO 26 0.221 10.980 6.612 177 2HB PRO 26 3HB PRO 26 1.411 10.426 5.416 178 1HG PRO 26 2HG PRO 26 -0.418 12.798 5.255 179 2HG PRO 26 3HG PRO 26 1.278 12.611 4.686 180 1HD PRO 26 2HD PRO 26 -0.922 12.497 3.017 181 2HD PRO 26 3HD PRO 26 0.589 11.599 2.693 182 H GLY 27 HN GLY 27 -1.016 8.193 6.625 183 1HA GLY 27 2HA GLY 27 -2.586 7.662 8.187 184 2HA GLY 27 3HA GLY 27 -3.418 9.202 7.906 185 H THR 28 HN THR 28 -2.860 7.120 5.002 186 HA THR 28 HA THR 28 -5.782 6.708 4.974 187 HB THR 28 HB THR 28 -3.580 6.218 2.926 188 HG1 THR 28 HG1 THR 28 -3.900 8.381 3.088 189 1HG2 THR 28 2HG2 THR 28 -6.611 6.073 2.762 190 2HG2 THR 28 3HG2 THR 28 -5.529 6.030 1.350 191 3HG2 THR 28 1HG2 THR 28 -5.454 4.736 2.563 192 H ASP 29 HN ASP 29 -6.548 4.940 5.791 193 HA ASP 29 HA ASP 29 -5.058 2.624 6.520 194 1HB ASP 29 2HB ASP 29 -7.388 3.357 7.300 195 2HB ASP 29 3HB ASP 29 -7.995 2.707 5.795 196 H PHE 30 HN PHE 30 -4.532 0.883 5.363 197 HA PHE 30 HA PHE 30 -4.386 0.694 2.606 198 1HB PHE 30 2HB PHE 30 -3.507 -0.778 4.590 199 2HB PHE 30 3HB PHE 30 -4.922 -1.775 4.266 200 HD1 PHE 30 HD2 PHE 30 -5.204 -2.482 1.670 201 HD2 PHE 30 HD1 PHE 30 -1.558 -1.088 3.468 202 HE1 PHE 30 HE2 PHE 30 -3.899 -3.379 -0.231 203 HE2 PHE 30 HE1 PHE 30 -0.266 -2.100 1.582 204 HZ PHE 30 HZ PHE 30 -1.426 -3.120 -0.258 205 H LYS 31 HN LYS 31 -7.224 -0.001 4.739 206 HA LYS 31 HA LYS 31 -8.565 -1.484 2.599 207 1HB LYS 31 2HB LYS 31 -10.454 -1.584 3.969 208 2HB LYS 31 3HB LYS 31 -9.015 -1.856 4.977 209 1HG LYS 31 2HG LYS 31 -9.085 0.657 5.482 210 2HG LYS 31 3HG LYS 31 -10.629 0.700 4.666 211 1HD LYS 31 2HD LYS 31 -11.465 -1.035 6.262 212 2HD LYS 31 3HD LYS 31 -9.873 -0.987 7.075 213 1HE LYS 31 2HE LYS 31 -10.177 1.488 7.471 214 2HE LYS 31 3HE LYS 31 -11.776 1.406 6.725 215 1HZ LYS 31 3HNZ LYS 31 -12.443 -0.075 8.497 216 2HZ LYS 31 1HNZ LYS 31 -10.937 0.017 9.178 217 3HZ LYS 31 2HNZ LYS 31 -11.890 1.358 9.094 218 H ASP 32 HN ASP 32 -8.375 1.874 3.672 219 HA ASP 32 HA ASP 32 -10.568 2.847 2.036 220 1HB ASP 32 2HB ASP 32 -8.458 4.194 3.782 221 2HB ASP 32 3HB ASP 32 -9.661 5.067 2.839 222 H ILE 33 HN ILE 33 -7.125 2.129 1.474 223 HA ILE 33 HA ILE 33 -6.498 4.035 -0.422 224 HB ILE 33 HB ILE 33 -5.889 1.121 -0.189 225 1HG1 ILE 33 2HG1 ILE 33 -4.548 3.666 0.680 226 2HG1 ILE 33 3HG1 ILE 33 -5.090 2.410 1.702 227 1HG2 ILE 33 3HG2 ILE 33 -5.459 1.878 -2.473 228 2HG2 ILE 33 1HG2 ILE 33 -4.347 3.099 -1.794 229 3HG2 ILE 33 2HG2 ILE 33 -4.033 1.354 -1.602 230 1HD1 ILE 33 3HD1 ILE 33 -3.376 0.857 0.531 231 2HD1 ILE 33 1HD1 ILE 33 -2.646 2.378 -0.062 232 3HD1 ILE 33 2HD1 ILE 33 -2.806 2.067 1.679 233 HA PRO 34 HA PRO 34 -9.607 2.843 -3.510 234 1HB PRO 34 2HB PRO 34 -8.185 3.922 -5.742 235 2HB PRO 34 3HB PRO 34 -9.478 4.678 -4.795 236 1HG PRO 34 2HG PRO 34 -6.621 5.338 -4.822 237 2HG PRO 34 3HG PRO 34 -7.925 6.153 -3.912 238 1HD PRO 34 2HD PRO 34 -5.941 4.213 -2.942 239 2HD PRO 34 3HD PRO 34 -7.022 5.249 -1.999 240 H ASP 35 HN ASP 35 -9.764 0.925 -4.745 241 HA ASP 35 HA ASP 35 -7.447 -0.759 -4.877 242 1HB ASP 35 2HB ASP 35 -10.399 -0.902 -5.520 243 2HB ASP 35 3HB ASP 35 -9.302 -2.067 -6.196 244 H ASP 36 HN ASP 36 -8.360 1.783 -6.822 245 HA ASP 36 HA ASP 36 -7.221 0.935 -9.322 246 1HB ASP 36 2HB ASP 36 -8.513 3.221 -8.280 247 2HB ASP 36 3HB ASP 36 -6.969 3.695 -9.007 248 H TRP 37 HN TRP 37 -5.918 1.784 -6.225 249 HA TRP 37 HA TRP 37 -3.452 2.983 -7.144 250 1HB TRP 37 2HB TRP 37 -4.397 3.500 -4.942 251 2HB TRP 37 3HB TRP 37 -4.308 1.799 -4.508 252 HD1 TRP 37 HD TRP 37 -1.897 4.756 -5.028 253 HE1 TRP 37 HNE TRP 37 0.159 4.311 -3.559 254 HE3 TRP 37 HE TRP 37 -2.898 -0.042 -3.707 255 HZ2 TRP 37 HZ1 TRP 37 1.238 2.138 -1.989 256 HZ3 TRP 37 HZ2 TRP 37 -1.301 -1.324 -2.244 257 HH2 TRP 37 HH TRP 37 0.730 -0.224 -1.364 258 H VAL 38 HN VAL 38 -1.380 2.118 -6.896 259 HA VAL 38 HA VAL 38 -1.063 -0.837 -6.951 260 HB VAL 38 HB VAL 38 0.091 1.172 -8.928 261 1HG1 VAL 38 1HG1 VAL 38 0.699 -1.794 -8.589 262 2HG1 VAL 38 2HG1 VAL 38 1.147 -0.832 -10.007 263 3HG1 VAL 38 3HG1 VAL 38 1.846 -0.448 -8.435 264 1HG2 VAL 38 3HG2 VAL 38 -1.760 -1.234 -9.285 265 2HG2 VAL 38 1HG2 VAL 38 -2.223 0.472 -9.466 266 3HG2 VAL 38 2HG2 VAL 38 -1.085 -0.255 -10.603 267 H CYS 39 HN CYN 39 0.983 -1.566 -6.102 268 HA CYS 39 HA CYN 39 1.895 0.252 -4.032 269 1HB CYS 39 2HB CYN 39 2.443 -1.558 -2.868 270 2HB CYS 39 3HB CYN 39 1.406 -2.384 -4.008 271 HA PRO 40 HA PRO 40 5.268 2.001 -5.859 272 1HB PRO 40 2HB PRO 40 7.390 1.948 -4.107 273 2HB PRO 40 3HB PRO 40 5.897 2.901 -3.856 274 1HG PRO 40 2HG PRO 40 6.554 0.180 -2.718 275 2HG PRO 40 3HG PRO 40 5.912 1.610 -1.852 276 1HD PRO 40 2HD PRO 40 4.317 -0.392 -2.706 277 2HD PRO 40 3HD PRO 40 3.754 1.306 -2.791 278 H LEU 41 HN LEU 41 6.119 1.172 -7.651 279 HA LEU 41 HA LEU 41 7.447 0.070 -9.110 280 1HB LEU 41 2HB LEU 41 9.130 -0.840 -6.748 281 2HB LEU 41 3HB LEU 41 9.597 -0.804 -8.442 282 HG LEU 41 HG LEU 41 9.029 1.622 -6.680 283 1HD1 LEU 41 3HD1 LEU 41 11.126 0.442 -6.156 284 2HD1 LEU 41 1HD1 LEU 41 11.608 0.510 -7.865 285 3HD1 LEU 41 2HD1 LEU 41 11.455 2.007 -6.921 286 1HD2 LEU 41 3HD2 LEU 41 9.892 1.425 -9.605 287 2HD2 LEU 41 1HD2 LEU 41 8.397 2.163 -8.985 288 3HD2 LEU 41 2HD2 LEU 41 9.959 2.909 -8.632 289 H CYS 42 HN CYN 42 5.144 -1.169 -8.690 290 HA CYS 42 HA CYN 42 5.855 -4.023 -8.963 291 1HB CYS 42 2HB CYN 42 5.169 -3.369 -6.623 292 2HB CYS 42 3HB CYN 42 3.544 -3.053 -7.273 293 H GLY 43 HN GLY 43 3.521 -5.065 -9.532 294 1HA GLY 43 2HA GLY 43 2.613 -3.577 -11.984 295 2HA GLY 43 3HA GLY 43 2.687 -5.330 -11.802 296 H VAL 44 HN VAL 44 1.337 -6.160 -9.805 297 HA VAL 44 HA VAL 44 -1.399 -5.332 -10.369 298 HB VAL 44 HB VAL 44 -2.071 -7.142 -8.944 299 1HG1 VAL 44 1HG1 VAL 44 -1.397 -7.604 -11.281 300 2HG1 VAL 44 2HG1 VAL 44 0.227 -8.054 -10.713 301 3HG1 VAL 44 3HG1 VAL 44 -1.190 -8.995 -10.204 302 1HG2 VAL 44 2HG2 VAL 44 0.877 -7.552 -8.253 303 2HG2 VAL 44 3HG2 VAL 44 -0.400 -7.017 -7.140 304 3HG2 VAL 44 1HG2 VAL 44 -0.460 -8.641 -7.832 305 H GLY 45 HN GLY 45 -2.945 -5.024 -8.411 306 1HA GLY 45 2HA GLY 45 -1.725 -2.873 -6.725 307 2HA GLY 45 3HA GLY 45 -3.251 -2.682 -7.575 308 H LYS 46 HN LYS 46 -1.828 -3.458 -4.744 309 HA LYS 46 HA LYS 46 -2.465 -4.224 -2.735 310 1HB LYS 46 2HB LYS 46 -5.230 -3.810 -3.895 311 2HB LYS 46 3HB LYS 46 -4.851 -4.011 -2.178 312 1HG LYS 46 2HG LYS 46 -3.554 -1.862 -2.342 313 2HG LYS 46 3HG LYS 46 -4.002 -1.821 -4.075 314 1HD LYS 46 2HD LYS 46 -5.593 -0.407 -3.104 315 2HD LYS 46 3HD LYS 46 -6.420 -1.949 -3.345 316 1HE LYS 46 2HE LYS 46 -5.931 -2.518 -0.923 317 2HE LYS 46 3HE LYS 46 -5.293 -0.898 -0.738 318 1HZ LYS 46 1HNZ LYS 46 -8.069 -1.495 -1.617 319 2HZ LYS 46 2HNZ LYS 46 -7.615 -1.017 -0.062 320 3HZ LYS 46 3HNZ LYS 46 -7.498 -0.019 -1.335 321 H ASP 47 HN ASP 47 -5.132 -5.725 -4.516 322 HA ASP 47 HA ASP 47 -6.164 -7.688 -4.183 323 1HB ASP 47 2HB ASP 47 -3.521 -8.889 -5.050 324 2HB ASP 47 3HB ASP 47 -5.150 -9.507 -5.292 325 H GLN 48 HN GLN 48 -2.915 -8.523 -2.921 326 HA GLN 48 HA GLN 48 -4.160 -9.826 -0.545 327 1HB GLN 48 2HB GLN 48 -3.715 -11.571 -2.198 328 2HB GLN 48 3HB GLN 48 -2.034 -11.038 -2.355 329 1HG GLN 48 2HG GLN 48 -1.554 -11.670 -0.049 330 2HG GLN 48 3HG GLN 48 -3.272 -11.983 0.262 331 1HE2 GLN 48 2HNE GLN 48 -2.762 -15.376 -0.552 332 2HE2 GLN 48 1HNE GLN 48 -3.446 -14.198 0.555 333 H PHE 49 HN PHE 49 -3.387 -8.767 1.160 334 HA PHE 49 HA PHE 49 -0.560 -7.918 1.378 335 1HB PHE 49 2HB PHE 49 -1.517 -5.654 2.123 336 2HB PHE 49 3HB PHE 49 -1.433 -5.971 0.406 337 HD1 PHE 49 HD1 PHE 49 -3.473 -6.526 -0.902 338 HD2 PHE 49 HD2 PHE 49 -3.729 -5.349 3.216 339 HE1 PHE 49 HE1 PHE 49 -5.914 -6.138 -1.167 340 HE2 PHE 49 HE2 PHE 49 -6.144 -4.923 2.958 341 HZ PHE 49 HZ PHE 49 -7.248 -5.303 0.754 342 H GLU 50 HN GLU 50 0.039 -8.779 3.311 343 HA GLU 50 HA GLU 50 -1.982 -9.420 5.382 344 1HB GLU 50 2HB GLU 50 0.989 -9.982 5.012 345 2HB GLU 50 3HB GLU 50 0.194 -10.191 6.549 346 1HG GLU 50 2HG GLU 50 -1.456 -11.756 5.479 347 2HG GLU 50 3HG GLU 50 -0.641 -11.531 3.919 348 H GLU 51 HN GLU 51 -1.908 -8.441 7.493 349 HA GLU 51 HA GLU 51 -0.966 -5.689 7.538 350 1HB GLU 51 2HB GLU 51 -3.115 -6.249 8.555 351 2HB GLU 51 3HB GLU 51 -2.400 -7.582 9.468 352 1HG GLU 51 2HG GLU 51 -1.190 -6.162 10.833 353 2HG GLU 51 3HG GLU 51 -1.598 -4.690 9.935 354 H VAL 52 HN VAL 52 0.827 -4.949 8.598 355 HA VAL 52 HA VAL 52 2.789 -6.893 9.642 356 HB VAL 52 HB VAL 52 2.915 -4.167 8.279 357 1HG1 VAL 52 1HG1 VAL 52 5.096 -5.635 9.814 358 2HG1 VAL 52 2HG1 VAL 52 5.374 -4.261 8.708 359 3HG1 VAL 52 3HG1 VAL 52 4.425 -4.032 10.177 360 1HG2 VAL 52 1HG2 VAL 52 2.834 -6.131 6.833 361 2HG2 VAL 52 2HG2 VAL 52 4.358 -5.233 6.756 362 3HG2 VAL 52 3HG2 VAL 52 4.287 -6.781 7.638 363 H GLU 53 HN GLU 53 2.234 -7.069 11.790 364 HA GLU 53 HA GLU 53 1.502 -4.797 13.384 365 1HB GLU 53 2HB GLU 53 1.384 -6.418 15.137 366 2HB GLU 53 3HB GLU 53 0.578 -7.036 13.698 367 1HG GLU 53 2HG GLU 53 2.830 -8.273 13.246 368 2HG GLU 53 3HG GLU 53 3.197 -7.859 14.919 369 H GLU 54 HN GLU 54 3.136 -3.404 13.131 370 HA GLU 54 HA GLU 54 5.305 -3.790 15.024 371 1HB GLU 54 2HB GLU 54 6.979 -2.581 13.831 372 2HB GLU 54 3HB GLU 54 6.463 -3.921 12.791 373 1HG GLU 54 2HG GLU 54 4.984 -2.314 11.572 374 2HG GLU 54 3HG GLU 54 5.625 -1.002 12.563 No H/Q in entry = 374 Start of MODEL 9 1 1H MET 1 1HN MET 1 -5.988 -0.786 9.557 2 2H MET 1 2HN MET 1 -6.727 0.720 9.479 3 3H MET 1 3HN MET 1 -5.744 0.230 8.319 4 HA MET 1 HA MET 1 -4.990 0.827 11.122 5 1HB MET 1 2HB MET 1 -3.189 2.282 9.968 6 2HB MET 1 3HB MET 1 -4.074 1.988 8.479 7 1HG MET 1 2HG MET 1 -6.071 2.935 9.662 8 2HG MET 1 3HG MET 1 -5.061 3.360 11.029 9 1HE MET 1 3HE MET 1 -2.451 4.544 10.031 10 2HE MET 1 1HE MET 1 -2.843 6.243 9.700 11 3HE MET 1 2HE MET 1 -3.495 5.453 11.148 12 H LYS 2 HN LYS 2 -2.468 0.799 11.128 13 HA LYS 2 HA LYS 2 -0.535 -0.340 11.228 14 1HB LYS 2 2HB LYS 2 -2.040 -2.814 10.402 15 2HB LYS 2 3HB LYS 2 -0.518 -2.716 11.295 16 1HG LYS 2 2HG LYS 2 -1.673 -1.673 13.214 17 2HG LYS 2 3HG LYS 2 -3.241 -1.806 12.356 18 1HD LYS 2 2HD LYS 2 -2.816 -4.170 11.932 19 2HD LYS 2 3HD LYS 2 -1.377 -4.137 12.952 20 1HE LYS 2 2HE LYS 2 -4.304 -3.678 13.745 21 2HE LYS 2 3HE LYS 2 -3.344 -5.128 14.069 22 1HZ LYS 2 1HNZ LYS 2 -1.880 -3.783 15.432 23 2HZ LYS 2 2HNZ LYS 2 -2.800 -2.446 15.169 24 3HZ LYS 2 3HNZ LYS 2 -3.427 -3.725 16.001 25 H LYS 3 HN LYS 3 0.991 -1.850 9.943 26 HA LYS 3 HA LYS 3 1.110 -0.690 7.246 27 1HB LYS 3 2HB LYS 3 3.077 -2.358 8.857 28 2HB LYS 3 3HB LYS 3 3.396 -1.549 7.318 29 1HG LYS 3 2HG LYS 3 2.792 0.637 8.364 30 2HG LYS 3 3HG LYS 3 2.522 -0.170 9.884 31 1HD LYS 3 2HD LYS 3 5.001 -0.941 9.738 32 2HD LYS 3 3HD LYS 3 5.151 0.259 8.443 33 1HE LYS 3 2HE LYS 3 4.181 1.993 10.088 34 2HE LYS 3 3HE LYS 3 4.237 0.741 11.334 35 1HZ LYS 3 3HNZ LYS 3 6.601 0.599 10.995 36 2HZ LYS 3 1HNZ LYS 3 6.560 1.826 9.897 37 3HZ LYS 3 2HNZ LYS 3 6.148 2.100 11.472 38 H TYR 4 HN TYR 4 1.818 -2.147 5.505 39 HA TYR 4 HA TYR 4 0.727 -4.899 5.710 40 1HB TYR 4 2HB TYR 4 -0.364 -2.845 3.724 41 2HB TYR 4 3HB TYR 4 -0.359 -4.546 3.402 42 HD1 TYR 4 HD1 TYR 4 -1.548 -2.208 6.144 43 HD2 TYR 4 HD2 TYR 4 -2.148 -5.832 3.919 44 HE1 TYR 4 HE1 TYR 4 -3.487 -2.771 7.551 45 HE2 TYR 4 HE2 TYR 4 -4.168 -6.333 5.251 46 HH TYR 4 HOH TYR 4 -5.325 -5.717 7.278 47 H THR 5 HN THR 5 1.760 -6.406 4.402 48 HA THR 5 HA THR 5 4.003 -5.311 2.717 49 HB THR 5 HB THR 5 4.698 -6.826 4.469 50 HG1 THR 5 HG1 THR 5 5.820 -8.238 2.938 51 1HG2 THR 5 3HG2 THR 5 2.756 -8.334 4.595 52 2HG2 THR 5 1HG2 THR 5 3.149 -8.982 2.978 53 3HG2 THR 5 2HG2 THR 5 4.260 -9.225 4.335 54 H CYS 6 HN CYN 6 4.328 -5.794 0.610 55 HA CYS 6 HA CYN 6 2.021 -6.550 -1.042 56 1HB CYS 6 2HB CYN 6 3.350 -4.568 -1.523 57 2HB CYS 6 3HB CYN 6 4.795 -5.542 -1.689 58 H THR 7 HN THR 7 2.540 -8.652 0.456 59 HA THR 7 HA THR 7 3.054 -10.839 0.490 60 HB THR 7 HB THR 7 2.679 -10.635 -2.533 61 HG1 THR 7 HG1 THR 7 1.083 -9.463 -1.628 62 1HG2 THR 7 2HG2 THR 7 3.201 -12.921 -1.629 63 2HG2 THR 7 3HG2 THR 7 1.857 -12.744 -0.482 64 3HG2 THR 7 1HG2 THR 7 1.535 -12.787 -2.229 65 H VAL 8 HN VAL 8 4.632 -10.590 -2.695 66 HA VAL 8 HA VAL 8 7.093 -11.834 -1.586 67 HB VAL 8 HB VAL 8 5.991 -11.467 -4.402 68 1HG1 VAL 8 2HG1 VAL 8 8.658 -12.676 -3.560 69 2HG1 VAL 8 3HG1 VAL 8 7.911 -12.875 -5.158 70 3HG1 VAL 8 1HG1 VAL 8 8.407 -11.271 -4.624 71 1HG2 VAL 8 2HG2 VAL 8 4.950 -13.294 -3.082 72 2HG2 VAL 8 3HG2 VAL 8 5.933 -13.937 -4.398 73 3HG2 VAL 8 1HG2 VAL 8 6.557 -13.964 -2.739 74 H CYS 9 HN CYN 9 5.837 -8.772 -2.800 75 HA CYS 9 HA CYN 9 8.361 -7.824 -3.871 76 1HB CYS 9 2HB CYN 9 6.165 -7.369 -4.853 77 2HB CYS 9 3HB CYN 9 5.720 -6.580 -3.341 78 H GLY 10 HN GLY 10 9.882 -6.735 -2.757 79 1HA GLY 10 2HA GLY 10 9.596 -6.521 0.156 80 2HA GLY 10 3HA GLY 10 11.060 -6.340 -0.816 81 H TYR 11 HN TYR 11 7.983 -4.667 -0.046 82 HA TYR 11 HA TYR 11 9.560 -2.120 0.038 83 1HB TYR 11 2HB TYR 11 8.053 -2.570 -2.094 84 2HB TYR 11 3HB TYR 11 6.764 -1.994 -1.053 85 HD1 TYR 11 HD1 TYR 11 7.225 0.320 0.189 86 HD2 TYR 11 HD2 TYR 11 9.454 -1.083 -3.230 87 HE1 TYR 11 HE1 TYR 11 7.991 2.631 -0.269 88 HE2 TYR 11 HE2 TYR 11 10.256 1.214 -3.649 89 HH TYR 11 HOH TYR 11 10.092 3.428 -3.050 90 H ILE 12 HN ILE 12 6.313 -3.355 0.816 91 HA ILE 12 HA ILE 12 5.018 -3.237 2.597 92 HB ILE 12 HB ILE 12 7.477 -2.335 4.104 93 1HG1 ILE 12 2HG1 ILE 12 5.529 -4.634 4.444 94 2HG1 ILE 12 3HG1 ILE 12 6.930 -4.729 3.377 95 1HG2 ILE 12 2HG2 ILE 12 4.649 -2.373 5.219 96 2HG2 ILE 12 3HG2 ILE 12 6.132 -2.288 6.183 97 3HG2 ILE 12 1HG2 ILE 12 5.723 -0.960 5.125 98 1HD1 ILE 12 2HD1 ILE 12 8.446 -4.341 5.279 99 2HD1 ILE 12 3HD1 ILE 12 7.055 -4.314 6.390 100 3HD1 ILE 12 1HD1 ILE 12 7.438 -5.786 5.488 101 H TYR 13 HN TYR 13 3.323 -2.043 2.695 102 HA TYR 13 HA TYR 13 3.422 0.854 2.092 103 1HB TYR 13 2HB TYR 13 1.703 -0.421 0.954 104 2HB TYR 13 3HB TYR 13 1.168 -1.151 2.468 105 HD1 TYR 13 HD2 TYR 13 1.147 1.929 0.441 106 HD2 TYR 13 HD1 TYR 13 -0.360 -0.024 3.892 107 HE1 TYR 13 HE2 TYR 13 -0.104 3.999 1.026 108 HE2 TYR 13 HE1 TYR 13 -1.646 2.039 4.526 109 HH TYR 13 HOH TYR 13 -2.366 4.281 3.770 110 H ASN 14 HN ASN 14 3.033 2.364 3.664 111 HA ASN 14 HA ASN 14 2.443 1.489 6.452 112 1HB ASN 14 2HB ASN 14 4.843 1.904 6.219 113 2HB ASN 14 3HB ASN 14 4.517 3.492 5.510 114 1HD2 ASN 14 2HND ASN 14 5.191 4.463 8.815 115 2HD2 ASN 14 1HND ASN 14 6.042 3.853 7.481 116 HA PRO 15 HA PRO 15 -0.732 4.349 5.344 117 1HB PRO 15 2HB PRO 15 -2.230 4.330 7.679 118 2HB PRO 15 3HB PRO 15 -2.313 3.076 6.439 119 1HG PRO 15 2HG PRO 15 -0.763 3.067 9.033 120 2HG PRO 15 3HG PRO 15 -1.642 1.723 8.255 121 1HD PRO 15 2HD PRO 15 1.054 2.056 8.176 122 2HD PRO 15 3HD PRO 15 0.191 1.199 6.881 123 H GLU 16 HN GLU 16 1.016 4.690 8.436 124 HA GLU 16 HA GLU 16 0.222 7.356 8.971 125 1HB GLU 16 2HB GLU 16 2.762 5.792 9.584 126 2HB GLU 16 3HB GLU 16 2.394 7.364 10.251 127 1HG GLU 16 2HG GLU 16 0.093 6.252 10.973 128 2HG GLU 16 3HG GLU 16 0.941 4.721 10.707 129 H ASP 17 HN ASP 17 2.505 5.962 6.706 130 HA ASP 17 HA ASP 17 3.664 8.626 6.022 131 1HB ASP 17 2HB ASP 17 4.369 5.780 5.293 132 2HB ASP 17 3HB ASP 17 5.172 7.203 4.622 133 H GLY 18 HN GLY 18 1.430 6.167 4.879 134 1HA GLY 18 2HA GLY 18 0.110 5.970 3.110 135 2HA GLY 18 3HA GLY 18 0.328 7.676 2.714 136 H ASP 19 HN ASP 19 0.480 7.127 0.504 137 HA ASP 19 HA ASP 19 3.196 6.626 -0.371 138 1HB ASP 19 2HB ASP 19 1.115 4.585 -0.791 139 2HB ASP 19 3HB ASP 19 1.762 5.145 -2.314 140 HA PRO 20 HA PRO 20 0.423 10.041 -1.915 141 1HB PRO 20 2HB PRO 20 2.184 12.156 -1.564 142 2HB PRO 20 3HB PRO 20 1.023 11.563 -0.338 143 1HG PRO 20 2HG PRO 20 3.961 10.893 -0.606 144 2HG PRO 20 3HG PRO 20 3.059 11.313 0.881 145 1HD PRO 20 2HD PRO 20 3.613 8.748 0.267 146 2HD PRO 20 3HD PRO 20 2.019 9.182 0.947 147 H ASP 21 HN ASP 21 3.898 9.398 -2.628 148 HA ASP 21 HA ASP 21 4.164 10.752 -5.018 149 1HB ASP 21 2HB ASP 21 5.301 8.089 -4.031 150 2HB ASP 21 3HB ASP 21 5.939 9.024 -5.385 151 H ASN 22 HN ASN 22 2.450 7.822 -4.244 152 HA ASN 22 HA ASN 22 2.052 7.043 -7.081 153 1HB ASN 22 2HB ASN 22 1.269 5.574 -4.550 154 2HB ASN 22 3HB ASN 22 1.333 4.925 -6.184 155 1HD2 ASN 22 2HND ASN 22 4.664 5.177 -3.791 156 2HD2 ASN 22 1HND ASN 22 3.238 6.063 -3.414 157 H GLY 23 HN GLY 23 0.450 8.259 -4.270 158 1HA GLY 23 2HA GLY 23 -1.321 9.842 -5.085 159 2HA GLY 23 3HA GLY 23 -2.156 8.433 -5.749 160 H VAL 24 HN VAL 24 -0.651 7.683 -2.724 161 HA VAL 24 HA VAL 24 -3.330 7.800 -1.377 162 HB VAL 24 HB VAL 24 -0.920 6.002 -1.138 163 1HG1 VAL 24 2HG1 VAL 24 -3.344 6.224 0.666 164 2HG1 VAL 24 3HG1 VAL 24 -2.307 4.786 0.584 165 3HG1 VAL 24 1HG1 VAL 24 -1.629 6.324 1.148 166 1HG2 VAL 24 2HG2 VAL 24 -2.745 5.633 -2.921 167 2HG2 VAL 24 3HG2 VAL 24 -2.525 4.286 -1.775 168 3HG2 VAL 24 1HG2 VAL 24 -3.892 5.406 -1.600 169 H ASN 25 HN ASN 25 -3.514 9.456 -0.024 170 HA ASN 25 HA ASN 25 -1.283 11.045 0.830 171 1HB ASN 25 2HB ASN 25 -4.242 10.930 1.524 172 2HB ASN 25 3HB ASN 25 -3.151 11.924 2.476 173 1HD2 ASN 25 2HND ASN 25 -3.658 12.987 -1.484 174 2HD2 ASN 25 1HND ASN 25 -3.788 11.297 -1.062 175 HA PRO 26 HA PRO 26 -0.132 8.895 4.583 176 1HB PRO 26 2HB PRO 26 0.318 11.017 6.336 177 2HB PRO 26 3HB PRO 26 1.476 10.342 5.173 178 1HG PRO 26 2HG PRO 26 -0.251 12.797 4.907 179 2HG PRO 26 3HG PRO 26 1.427 12.534 4.329 180 1HD PRO 26 2HD PRO 26 -0.774 12.433 2.687 181 2HD PRO 26 3HD PRO 26 0.693 11.452 2.395 182 H GLY 27 HN GLY 27 -1.060 8.197 6.422 183 1HA GLY 27 2HA GLY 27 -2.609 7.899 8.059 184 2HA GLY 27 3HA GLY 27 -3.373 9.454 7.679 185 H THR 28 HN THR 28 -2.914 7.173 4.916 186 HA THR 28 HA THR 28 -5.848 6.883 4.907 187 HB THR 28 HB THR 28 -3.677 6.167 2.895 188 HG1 THR 28 HG1 THR 28 -3.930 8.369 2.959 189 1HG2 THR 28 1HG2 THR 28 -6.729 6.112 2.766 190 2HG2 THR 28 2HG2 THR 28 -5.659 5.966 1.348 191 3HG2 THR 28 3HG2 THR 28 -5.603 4.743 2.631 192 H ASP 29 HN ASP 29 -6.649 5.180 5.846 193 HA ASP 29 HA ASP 29 -5.199 2.923 6.767 194 1HB ASP 29 2HB ASP 29 -7.537 3.741 7.426 195 2HB ASP 29 3HB ASP 29 -8.119 2.990 5.957 196 H PHE 30 HN PHE 30 -4.729 1.039 5.792 197 HA PHE 30 HA PHE 30 -4.499 0.701 3.011 198 1HB PHE 30 2HB PHE 30 -3.534 -0.658 5.043 199 2HB PHE 30 3HB PHE 30 -5.015 -1.614 4.932 200 HD1 PHE 30 HD2 PHE 30 -2.334 -0.118 2.864 201 HD2 PHE 30 HD1 PHE 30 -5.106 -3.364 3.167 202 HE1 PHE 30 HE2 PHE 30 -1.107 -1.273 1.057 203 HE2 PHE 30 HE1 PHE 30 -4.039 -4.424 1.197 204 HZ PHE 30 HZ PHE 30 -1.858 -3.480 0.365 205 H LYS 31 HN LYS 31 -7.346 0.185 5.163 206 HA LYS 31 HA LYS 31 -8.668 -1.459 3.155 207 1HB LYS 31 2HB LYS 31 -10.602 -1.340 4.479 208 2HB LYS 31 3HB LYS 31 -9.199 -1.532 5.552 209 1HG LYS 31 2HG LYS 31 -9.202 1.033 5.736 210 2HG LYS 31 3HG LYS 31 -10.738 0.986 4.894 211 1HD LYS 31 2HD LYS 31 -11.642 -0.477 6.709 212 2HD LYS 31 3HD LYS 31 -10.054 -0.416 7.496 213 1HE LYS 31 2HE LYS 31 -11.601 1.211 8.575 214 2HE LYS 31 3HE LYS 31 -10.219 2.018 7.828 215 1HZ LYS 31 3HNZ LYS 31 -11.601 2.598 5.947 216 2HZ LYS 31 1HNZ LYS 31 -12.907 1.895 6.629 217 3HZ LYS 31 2HNZ LYS 31 -12.169 3.210 7.312 218 H ASP 32 HN ASP 32 -8.381 1.971 3.842 219 HA ASP 32 HA ASP 32 -10.586 2.786 2.110 220 1HB ASP 32 2HB ASP 32 -8.567 4.289 3.838 221 2HB ASP 32 3HB ASP 32 -9.836 5.070 2.916 222 H ILE 33 HN ILE 33 -7.185 2.044 1.666 223 HA ILE 33 HA ILE 33 -6.507 3.844 -0.287 224 HB ILE 33 HB ILE 33 -5.927 0.923 0.013 225 1HG1 ILE 33 2HG1 ILE 33 -4.600 3.504 0.872 226 2HG1 ILE 33 3HG1 ILE 33 -5.189 2.274 1.907 227 1HG2 ILE 33 1HG2 ILE 33 -5.425 1.679 -2.271 228 2HG2 ILE 33 2HG2 ILE 33 -4.305 2.861 -1.540 229 3HG2 ILE 33 3HG2 ILE 33 -4.060 1.103 -1.314 230 1HD1 ILE 33 1HD1 ILE 33 -3.442 0.704 0.820 231 2HD1 ILE 33 2HD1 ILE 33 -2.688 2.201 0.206 232 3HD1 ILE 33 3HD1 ILE 33 -2.896 1.954 1.947 233 HA PRO 34 HA PRO 34 -9.611 2.731 -3.392 234 1HB PRO 34 2HB PRO 34 -7.956 3.668 -5.568 235 2HB PRO 34 3HB PRO 34 -9.350 4.493 -4.834 236 1HG PRO 34 2HG PRO 34 -6.573 5.198 -4.647 237 2HG PRO 34 3HG PRO 34 -7.932 5.933 -3.756 238 1HD PRO 34 2HD PRO 34 -5.914 3.989 -2.788 239 2HD PRO 34 3HD PRO 34 -7.015 5.031 -1.862 240 H ASP 35 HN ASP 35 -9.913 0.836 -4.666 241 HA ASP 35 HA ASP 35 -7.850 -1.111 -4.723 242 1HB ASP 35 2HB ASP 35 -10.720 -0.824 -5.510 243 2HB ASP 35 3HB ASP 35 -9.780 -1.930 -6.477 244 H ASP 36 HN ASP 36 -8.431 1.562 -6.866 245 HA ASP 36 HA ASP 36 -7.099 0.364 -9.142 246 1HB ASP 36 2HB ASP 36 -7.223 2.627 -10.043 247 2HB ASP 36 3HB ASP 36 -8.799 2.102 -9.443 248 H TRP 37 HN TRP 37 -6.013 1.594 -6.117 249 HA TRP 37 HA TRP 37 -3.592 2.847 -7.059 250 1HB TRP 37 2HB TRP 37 -4.531 3.403 -4.897 251 2HB TRP 37 3HB TRP 37 -4.403 1.727 -4.384 252 HD1 TRP 37 HD TRP 37 -2.047 4.707 -5.022 253 HE1 TRP 37 HNE TRP 37 0.049 4.332 -3.582 254 HE3 TRP 37 HE TRP 37 -2.891 -0.072 -3.665 255 HZ2 TRP 37 HZ1 TRP 37 1.190 2.202 -1.988 256 HZ3 TRP 37 HZ2 TRP 37 -1.270 -1.328 -2.200 257 HH2 TRP 37 HH TRP 37 0.767 -0.176 -1.361 258 H VAL 38 HN VAL 38 -1.470 2.093 -6.851 259 HA VAL 38 HA VAL 38 -1.084 -0.853 -7.127 260 HB VAL 38 HB VAL 38 -0.030 1.452 -8.815 261 1HG1 VAL 38 3HG1 VAL 38 0.733 -1.491 -8.893 262 2HG1 VAL 38 1HG1 VAL 38 1.109 -0.303 -10.163 263 3HG1 VAL 38 2HG1 VAL 38 1.806 -0.110 -8.557 264 1HG2 VAL 38 2HG2 VAL 38 -1.767 -0.973 -9.482 265 2HG2 VAL 38 3HG2 VAL 38 -2.310 0.716 -9.422 266 3HG2 VAL 38 1HG2 VAL 38 -1.158 0.210 -10.659 267 H CYS 39 HN CYN 39 0.930 -1.641 -6.522 268 HA CYS 39 HA CYN 39 1.998 -0.709 -4.135 269 1HB CYS 39 2HB CYN 39 2.045 -3.011 -4.890 270 2HB CYS 39 3HB CYN 39 3.086 -2.578 -6.252 271 HA PRO 40 HA PRO 40 4.970 2.370 -5.606 272 1HB PRO 40 2HB PRO 40 6.766 2.369 -3.524 273 2HB PRO 40 3HB PRO 40 5.155 3.133 -3.430 274 1HG PRO 40 2HG PRO 40 5.890 0.345 -2.506 275 2HG PRO 40 3HG PRO 40 5.058 1.625 -1.565 276 1HD PRO 40 2HD PRO 40 3.682 -0.304 -2.792 277 2HD PRO 40 3HD PRO 40 3.093 1.378 -2.905 278 H LEU 41 HN LEU 41 6.359 1.900 -7.184 279 HA LEU 41 HA LEU 41 8.017 0.997 -8.416 280 1HB LEU 41 2HB LEU 41 9.033 0.419 -5.634 281 2HB LEU 41 3HB LEU 41 9.820 -0.408 -6.946 282 HG LEU 41 HG LEU 41 10.885 1.693 -6.201 283 1HD1 LEU 41 2HD1 LEU 41 11.388 0.662 -8.362 284 2HD1 LEU 41 3HD1 LEU 41 10.088 1.589 -9.140 285 3HD1 LEU 41 1HD1 LEU 41 11.492 2.429 -8.450 286 1HD2 LEU 41 2HD2 LEU 41 8.842 3.069 -5.878 287 2HD2 LEU 41 3HD2 LEU 41 10.048 3.849 -6.914 288 3HD2 LEU 41 1HD2 LEU 41 8.609 3.121 -7.638 289 H CYS 42 HN CYN 42 5.461 -0.612 -7.788 290 HA CYS 42 HA CYN 42 6.411 -2.928 -9.307 291 1HB CYS 42 2HB CYN 42 6.741 -4.039 -7.421 292 2HB CYS 42 3HB CYN 42 5.714 -3.001 -6.458 293 H GLY 43 HN GLY 43 4.156 -4.301 -9.638 294 1HA GLY 43 2HA GLY 43 2.184 -2.343 -10.739 295 2HA GLY 43 3HA GLY 43 3.180 -3.282 -11.854 296 H VAL 44 HN VAL 44 0.927 -3.583 -9.103 297 HA VAL 44 HA VAL 44 -0.347 -5.888 -10.412 298 HB VAL 44 HB VAL 44 1.361 -6.910 -9.108 299 1HG1 VAL 44 3HG1 VAL 44 1.531 -5.066 -7.285 300 2HG1 VAL 44 1HG1 VAL 44 0.254 -5.995 -6.461 301 3HG1 VAL 44 2HG1 VAL 44 1.788 -6.757 -6.849 302 1HG2 VAL 44 2HG2 VAL 44 -0.785 -8.068 -9.325 303 2HG2 VAL 44 3HG2 VAL 44 0.020 -8.466 -7.795 304 3HG2 VAL 44 1HG2 VAL 44 -1.352 -7.341 -7.804 305 H GLY 45 HN GLY 45 -0.660 -4.440 -7.122 306 1HA GLY 45 2HA GLY 45 -2.684 -2.672 -7.237 307 2HA GLY 45 3HA GLY 45 -3.533 -4.210 -7.502 308 H LYS 46 HN LYS 46 -3.922 -2.696 -5.113 309 HA LYS 46 HA LYS 46 -2.338 -3.694 -2.928 310 1HB LYS 46 2HB LYS 46 -4.167 -2.956 -1.493 311 2HB LYS 46 3HB LYS 46 -3.693 -1.713 -2.629 312 1HG LYS 46 2HG LYS 46 -5.641 -2.304 -4.103 313 2HG LYS 46 3HG LYS 46 -6.145 -3.510 -2.907 314 1HD LYS 46 2HD LYS 46 -6.013 -0.499 -2.592 315 2HD LYS 46 3HD LYS 46 -7.434 -1.540 -2.670 316 1HE LYS 46 2HE LYS 46 -6.303 -2.723 -0.553 317 2HE LYS 46 3HE LYS 46 -5.513 -1.173 -0.398 318 1HZ LYS 46 3HNZ LYS 46 -7.850 -0.188 -0.617 319 2HZ LYS 46 1HNZ LYS 46 -8.432 -1.697 -0.411 320 3HZ LYS 46 2HNZ LYS 46 -7.510 -0.979 0.784 321 H ASP 47 HN ASP 47 -4.612 -5.310 -4.890 322 HA ASP 47 HA ASP 47 -6.256 -6.830 -4.560 323 1HB ASP 47 2HB ASP 47 -3.569 -8.177 -4.082 324 2HB ASP 47 3HB ASP 47 -5.052 -8.987 -4.620 325 H GLN 48 HN GLN 48 -4.195 -8.402 -2.208 326 HA GLN 48 HA GLN 48 -5.628 -7.318 0.004 327 1HB GLN 48 2HB GLN 48 -6.969 -9.500 -1.010 328 2HB GLN 48 3HB GLN 48 -5.915 -10.299 0.140 329 1HG GLN 48 2HG GLN 48 -6.799 -8.200 1.687 330 2HG GLN 48 3HG GLN 48 -8.141 -8.317 0.543 331 1HE2 GLN 48 2HNE GLN 48 -7.326 -11.392 3.206 332 2HE2 GLN 48 1HNE GLN 48 -6.035 -10.330 2.659 333 H PHE 49 HN PHE 49 -3.285 -6.754 -0.322 334 HA PHE 49 HA PHE 49 -1.075 -8.257 0.436 335 1HB PHE 49 2HB PHE 49 -1.951 -5.465 1.181 336 2HB PHE 49 3HB PHE 49 -0.381 -5.944 1.559 337 HD1 PHE 49 HD1 PHE 49 -1.379 -7.420 -1.647 338 HD2 PHE 49 HD2 PHE 49 0.477 -4.018 0.292 339 HE1 PHE 49 HE1 PHE 49 -0.519 -6.647 -3.793 340 HE2 PHE 49 HE2 PHE 49 1.207 -3.191 -1.933 341 HZ PHE 49 HZ PHE 49 0.669 -4.501 -3.969 342 H GLU 50 HN GLU 50 0.128 -8.387 2.522 343 HA GLU 50 HA GLU 50 -1.765 -9.542 4.524 344 1HB GLU 50 2HB GLU 50 1.208 -9.864 3.977 345 2HB GLU 50 3HB GLU 50 0.462 -10.404 5.478 346 1HG GLU 50 2HG GLU 50 -1.071 -11.867 4.175 347 2HG GLU 50 3HG GLU 50 -0.332 -11.298 2.664 348 H GLU 51 HN GLU 51 -1.588 -8.857 6.802 349 HA GLU 51 HA GLU 51 -0.931 -6.047 7.079 350 1HB GLU 51 2HB GLU 51 -2.946 -7.000 8.077 351 2HB GLU 51 3HB GLU 51 -1.998 -8.255 8.905 352 1HG GLU 51 2HG GLU 51 -0.922 -6.691 10.257 353 2HG GLU 51 3HG GLU 51 -1.677 -5.288 9.479 354 H VAL 52 HN VAL 52 0.797 -5.242 8.285 355 HA VAL 52 HA VAL 52 2.995 -7.089 9.052 356 HB VAL 52 HB VAL 52 2.825 -4.263 7.938 357 1HG1 VAL 52 1HG1 VAL 52 5.177 -5.538 9.389 358 2HG1 VAL 52 2HG1 VAL 52 5.244 -4.038 8.423 359 3HG1 VAL 52 3HG1 VAL 52 4.250 -4.103 9.886 360 1HG2 VAL 52 1HG2 VAL 52 3.034 -6.188 6.395 361 2HG2 VAL 52 2HG2 VAL 52 4.348 -4.993 6.343 362 3HG2 VAL 52 3HG2 VAL 52 4.601 -6.568 7.144 363 H GLU 53 HN GLU 53 2.741 -7.445 11.193 364 HA GLU 53 HA GLU 53 1.318 -5.775 12.965 365 1HB GLU 53 2HB GLU 53 2.049 -7.402 14.604 366 2HB GLU 53 3HB GLU 53 1.310 -8.140 13.186 367 1HG GLU 53 2HG GLU 53 3.655 -8.722 12.360 368 2HG GLU 53 3HG GLU 53 4.285 -8.088 13.879 369 H GLU 54 HN GLU 54 2.771 -3.974 12.176 370 HA GLU 54 HA GLU 54 4.695 -3.258 14.356 371 1HB GLU 54 2HB GLU 54 4.146 -1.808 11.744 372 2HB GLU 54 3HB GLU 54 5.140 -1.221 13.082 373 1HG GLU 54 2HG GLU 54 6.257 -3.737 12.529 374 2HG GLU 54 3HG GLU 54 5.869 -3.099 10.929 No H/Q in entry = 374 Start of MODEL 10 1 1H MET 1 2HN MET 1 -5.560 -1.314 9.806 2 2H MET 1 3HN MET 1 -6.332 0.108 9.351 3 3H MET 1 1HN MET 1 -5.114 -0.508 8.476 4 HA MET 1 HA MET 1 -4.843 0.515 11.227 5 1HB MET 1 2HB MET 1 -3.091 2.054 9.946 6 2HB MET 1 3HB MET 1 -3.984 1.563 8.530 7 1HG MET 1 2HG MET 1 -6.049 2.475 9.807 8 2HG MET 1 3HG MET 1 -4.904 3.079 11.001 9 1HE MET 1 2HE MET 1 -6.955 5.030 9.744 10 2HE MET 1 3HE MET 1 -5.656 5.566 10.845 11 3HE MET 1 1HE MET 1 -5.926 6.414 9.308 12 H LYS 2 HN LYS 2 -2.277 0.901 11.359 13 HA LYS 2 HA LYS 2 -0.163 0.157 11.500 14 1HB LYS 2 2HB LYS 2 -1.194 -2.639 11.099 15 2HB LYS 2 3HB LYS 2 0.285 -2.115 11.926 16 1HG LYS 2 2HG LYS 2 -1.122 -0.999 13.675 17 2HG LYS 2 3HG LYS 2 -2.570 -1.708 12.870 18 1HD LYS 2 2HD LYS 2 -1.123 -3.899 12.897 19 2HD LYS 2 3HD LYS 2 -0.251 -3.102 14.215 20 1HE LYS 2 2HE LYS 2 -3.284 -3.538 14.032 21 2HE LYS 2 3HE LYS 2 -2.200 -4.698 14.800 22 1HZ LYS 2 1HNZ LYS 2 -2.541 -1.887 15.631 23 2HZ LYS 2 2HNZ LYS 2 -3.172 -3.196 16.417 24 3HZ LYS 2 3HNZ LYS 2 -1.537 -2.974 16.349 25 H LYS 3 HN LYS 3 1.492 -1.387 10.380 26 HA LYS 3 HA LYS 3 1.531 -0.544 7.603 27 1HB LYS 3 2HB LYS 3 3.428 -2.233 9.253 28 2HB LYS 3 3HB LYS 3 3.752 -1.556 7.651 29 1HG LYS 3 2HG LYS 3 3.295 0.728 8.515 30 2HG LYS 3 3HG LYS 3 3.066 0.093 10.123 31 1HD LYS 3 2HD LYS 3 5.453 -0.982 9.817 32 2HD LYS 3 3HD LYS 3 5.639 0.207 8.519 33 1HE LYS 3 2HE LYS 3 5.202 2.050 10.125 34 2HE LYS 3 3HE LYS 3 4.809 0.887 11.399 35 1HZ LYS 3 1HNZ LYS 3 7.056 0.081 11.311 36 2HZ LYS 3 2HNZ LYS 3 7.469 1.181 10.178 37 3HZ LYS 3 3HNZ LYS 3 7.010 1.669 11.688 38 H TYR 4 HN TYR 4 2.215 -2.139 5.953 39 HA TYR 4 HA TYR 4 0.831 -4.765 6.206 40 1HB TYR 4 2HB TYR 4 0.096 -2.539 4.291 41 2HB TYR 4 3HB TYR 4 -0.221 -4.210 3.886 42 HD1 TYR 4 HD2 TYR 4 -1.159 -1.475 6.245 43 HD2 TYR 4 HD1 TYR 4 -1.941 -5.424 4.831 44 HE1 TYR 4 HE2 TYR 4 -3.291 -1.477 7.474 45 HE2 TYR 4 HE1 TYR 4 -3.876 -5.617 6.424 46 HH TYR 4 HOH TYR 4 -5.145 -4.463 8.013 47 H THR 5 HN THR 5 1.721 -6.401 4.802 48 HA THR 5 HA THR 5 4.150 -5.634 3.320 49 HB THR 5 HB THR 5 2.780 -8.341 3.321 50 HG1 THR 5 HG1 THR 5 4.422 -7.141 5.297 51 1HG2 THR 5 2HG2 THR 5 5.710 -7.466 3.149 52 2HG2 THR 5 3HG2 THR 5 5.122 -9.142 3.176 53 3HG2 THR 5 1HG2 THR 5 4.726 -8.093 1.809 54 H CYS 6 HN CYN 6 4.357 -5.645 1.041 55 HA CYS 6 HA CYN 6 1.987 -5.416 -0.622 56 1HB CYS 6 2HB CYN 6 4.107 -4.276 -1.052 57 2HB CYS 6 3HB CYN 6 4.898 -5.836 -1.250 58 H THR 7 HN THR 7 2.093 -6.962 -2.686 59 HA THR 7 HA THR 7 1.029 -9.407 -1.624 60 HB THR 7 HB THR 7 1.198 -8.285 -4.451 61 HG1 THR 7 HG1 THR 7 -0.022 -6.982 -3.210 62 1HG2 THR 7 1HG2 THR 7 -0.447 -10.601 -3.348 63 2HG2 THR 7 2HG2 THR 7 -0.780 -9.757 -4.876 64 3HG2 THR 7 3HG2 THR 7 0.728 -10.645 -4.685 65 H VAL 8 HN VAL 8 3.238 -9.188 -4.486 66 HA VAL 8 HA VAL 8 4.721 -11.599 -3.462 67 HB VAL 8 HB VAL 8 3.804 -10.833 -6.250 68 1HG1 VAL 8 2HG1 VAL 8 5.910 -12.910 -5.525 69 2HG1 VAL 8 3HG1 VAL 8 5.003 -12.900 -7.050 70 3HG1 VAL 8 1HG1 VAL 8 6.068 -11.555 -6.674 71 1HG2 VAL 8 3HG2 VAL 8 2.290 -12.202 -4.747 72 2HG2 VAL 8 1HG2 VAL 8 2.796 -13.059 -6.208 73 3HG2 VAL 8 2HG2 VAL 8 3.564 -13.421 -4.649 74 H CYS 9 HN CYN 9 4.964 -8.394 -3.592 75 HA CYS 9 HA CYN 9 7.588 -7.995 -4.810 76 1HB CYS 9 2HB CYN 9 5.487 -6.525 -4.739 77 2HB CYS 9 3HB CYN 9 5.912 -6.283 -3.030 78 H GLY 10 HN GLY 10 8.693 -6.275 -2.916 79 1HA GLY 10 2HA GLY 10 8.969 -7.786 -0.341 80 2HA GLY 10 3HA GLY 10 10.410 -7.387 -1.289 81 H TYR 11 HN TYR 11 7.370 -5.577 -0.599 82 HA TYR 11 HA TYR 11 8.914 -3.508 0.869 83 1HB TYR 11 2HB TYR 11 7.131 -3.079 -1.552 84 2HB TYR 11 3HB TYR 11 7.374 -1.821 -0.351 85 HD1 TYR 11 HD2 TYR 11 9.192 -3.977 -2.796 86 HD2 TYR 11 HD1 TYR 11 9.373 -0.515 -0.239 87 HE1 TYR 11 HE2 TYR 11 11.367 -3.376 -3.782 88 HE2 TYR 11 HE1 TYR 11 11.564 0.092 -1.230 89 HH TYR 11 HOH TYR 11 13.128 -1.905 -3.746 90 H ILE 12 HN ILE 12 7.588 -2.112 2.131 91 HA ILE 12 HA ILE 12 5.102 -3.371 3.116 92 HB ILE 12 HB ILE 12 7.546 -2.437 4.611 93 1HG1 ILE 12 2HG1 ILE 12 5.513 -4.667 5.069 94 2HG1 ILE 12 3HG1 ILE 12 6.948 -4.846 4.060 95 1HG2 ILE 12 2HG2 ILE 12 4.722 -2.333 5.740 96 2HG2 ILE 12 3HG2 ILE 12 6.196 -2.244 6.720 97 3HG2 ILE 12 1HG2 ILE 12 5.837 -0.956 5.595 98 1HD1 ILE 12 1HD1 ILE 12 8.409 -4.402 5.995 99 2HD1 ILE 12 2HD1 ILE 12 6.983 -4.291 7.053 100 3HD1 ILE 12 3HD1 ILE 12 7.357 -5.811 6.235 101 H TYR 13 HN TYR 13 3.434 -2.092 3.132 102 HA TYR 13 HA TYR 13 3.572 0.756 2.385 103 1HB TYR 13 2HB TYR 13 1.829 -0.668 1.454 104 2HB TYR 13 3HB TYR 13 1.356 -1.202 3.067 105 HD1 TYR 13 HD2 TYR 13 0.148 0.353 4.629 106 HD2 TYR 13 HD1 TYR 13 0.772 1.227 0.488 107 HE1 TYR 13 HE2 TYR 13 -1.437 2.247 4.758 108 HE2 TYR 13 HE1 TYR 13 -0.359 3.425 0.779 109 HH TYR 13 HOH TYR 13 -2.261 4.217 3.693 110 H ASN 14 HN ASN 14 3.229 2.408 3.879 111 HA ASN 14 HA ASN 14 2.707 1.680 6.717 112 1HB ASN 14 2HB ASN 14 5.121 2.302 6.335 113 2HB ASN 14 3HB ASN 14 4.577 3.859 5.723 114 1HD2 ASN 14 2HND ASN 14 5.355 4.529 9.214 115 2HD2 ASN 14 1HND ASN 14 5.964 4.607 7.565 116 HA PRO 15 HA PRO 15 -0.622 4.305 5.460 117 1HB PRO 15 2HB PRO 15 -2.071 4.300 7.885 118 2HB PRO 15 3HB PRO 15 -2.236 3.087 6.609 119 1HG PRO 15 2HG PRO 15 -0.821 2.849 9.194 120 2HG PRO 15 3HG PRO 15 -1.524 1.616 8.101 121 1HD PRO 15 2HD PRO 15 1.211 2.245 8.417 122 2HD PRO 15 3HD PRO 15 0.566 1.235 7.138 123 H GLU 16 HN GLU 16 1.108 4.842 8.537 124 HA GLU 16 HA GLU 16 0.170 7.481 8.941 125 1HB GLU 16 2HB GLU 16 2.801 6.161 9.704 126 2HB GLU 16 3HB GLU 16 2.177 7.690 10.301 127 1HG GLU 16 2HG GLU 16 0.013 6.247 10.909 128 2HG GLU 16 3HG GLU 16 1.131 4.876 10.796 129 H ASP 17 HN ASP 17 2.532 6.145 6.752 130 HA ASP 17 HA ASP 17 3.669 8.814 6.025 131 1HB ASP 17 2HB ASP 17 4.222 5.973 5.137 132 2HB ASP 17 3HB ASP 17 5.004 7.384 4.425 133 H GLY 18 HN GLY 18 1.469 6.256 4.880 134 1HA GLY 18 2HA GLY 18 0.278 5.986 3.033 135 2HA GLY 18 3HA GLY 18 0.263 7.739 2.769 136 H ASP 19 HN ASP 19 0.472 7.242 0.516 137 HA ASP 19 HA ASP 19 3.261 7.280 -0.302 138 1HB ASP 19 2HB ASP 19 1.953 5.768 -2.350 139 2HB ASP 19 3HB ASP 19 3.432 5.409 -1.431 140 HA PRO 20 HA PRO 20 0.189 10.424 -1.833 141 1HB PRO 20 2HB PRO 20 1.874 12.625 -1.518 142 2HB PRO 20 3HB PRO 20 0.677 12.041 -0.319 143 1HG PRO 20 2HG PRO 20 3.645 11.504 -0.426 144 2HG PRO 20 3HG PRO 20 2.644 11.873 1.008 145 1HD PRO 20 2HD PRO 20 3.404 9.350 0.423 146 2HD PRO 20 3HD PRO 20 1.768 9.657 1.057 147 H ASP 21 HN ASP 21 3.627 9.792 -2.524 148 HA ASP 21 HA ASP 21 3.870 11.167 -4.947 149 1HB ASP 21 2HB ASP 21 5.156 8.606 -3.865 150 2HB ASP 21 3HB ASP 21 5.708 9.488 -5.285 151 H ASN 22 HN ASN 22 2.295 8.075 -4.111 152 HA ASN 22 HA ASN 22 2.020 7.334 -6.968 153 1HB ASN 22 2HB ASN 22 1.349 5.735 -4.470 154 2HB ASN 22 3HB ASN 22 1.448 5.151 -6.119 155 1HD2 ASN 22 2HND ASN 22 4.911 5.796 -3.982 156 2HD2 ASN 22 1HND ASN 22 3.378 6.455 -3.432 157 H GLY 23 HN GLY 23 0.355 8.567 -4.231 158 1HA GLY 23 2HA GLY 23 -1.531 9.968 -5.019 159 2HA GLY 23 3HA GLY 23 -2.261 8.513 -5.709 160 H VAL 24 HN VAL 24 -0.670 7.910 -2.675 161 HA VAL 24 HA VAL 24 -3.323 7.713 -1.326 162 HB VAL 24 HB VAL 24 -0.754 6.192 -1.101 163 1HG1 VAL 24 2HG1 VAL 24 -3.239 6.109 0.632 164 2HG1 VAL 24 3HG1 VAL 24 -2.079 4.778 0.525 165 3HG1 VAL 24 1HG1 VAL 24 -1.547 6.342 1.159 166 1HG2 VAL 24 1HG2 VAL 24 -2.377 5.619 -2.964 167 2HG2 VAL 24 2HG2 VAL 24 -2.210 4.301 -1.779 168 3HG2 VAL 24 3HG2 VAL 24 -3.637 5.355 -1.750 169 H ASN 25 HN ASN 25 -3.646 9.387 0.027 170 HA ASN 25 HA ASN 25 -1.505 11.067 0.933 171 1HB ASN 25 2HB ASN 25 -4.468 10.802 1.562 172 2HB ASN 25 3HB ASN 25 -3.457 11.822 2.574 173 1HD2 ASN 25 2HND ASN 25 -3.811 12.942 -1.389 174 2HD2 ASN 25 1HND ASN 25 -3.774 11.238 -1.011 175 HA PRO 26 HA PRO 26 -0.250 8.949 4.638 176 1HB PRO 26 2HB PRO 26 0.036 11.078 6.441 177 2HB PRO 26 3HB PRO 26 1.261 10.484 5.302 178 1HG PRO 26 2HG PRO 26 -0.542 12.860 5.037 179 2HG PRO 26 3HG PRO 26 1.136 12.617 4.441 180 1HD PRO 26 2HD PRO 26 -1.127 12.479 2.841 181 2HD PRO 26 3HD PRO 26 0.388 11.598 2.488 182 H GLY 27 HN GLY 27 -1.131 8.146 6.413 183 1HA GLY 27 2HA GLY 27 -2.662 7.653 8.060 184 2HA GLY 27 3HA GLY 27 -3.505 9.186 7.763 185 H THR 28 HN THR 28 -2.942 7.014 4.941 186 HA THR 28 HA THR 28 -5.864 6.542 4.929 187 HB THR 28 HB THR 28 -3.650 6.063 2.884 188 HG1 THR 28 HG1 THR 28 -4.026 8.227 3.005 189 1HG2 THR 28 1HG2 THR 28 -6.681 5.831 2.710 190 2HG2 THR 28 2HG2 THR 28 -5.577 5.794 1.309 191 3HG2 THR 28 3HG2 THR 28 -5.475 4.530 2.550 192 H ASP 29 HN ASP 29 -6.593 4.715 5.731 193 HA ASP 29 HA ASP 29 -4.936 2.515 6.538 194 1HB ASP 29 2HB ASP 29 -7.271 3.152 7.335 195 2HB ASP 29 3HB ASP 29 -7.885 2.464 5.852 196 H PHE 30 HN PHE 30 -4.392 0.734 5.419 197 HA PHE 30 HA PHE 30 -4.230 0.552 2.644 198 1HB PHE 30 2HB PHE 30 -3.262 -0.874 4.607 199 2HB PHE 30 3HB PHE 30 -4.660 -1.917 4.345 200 HD1 PHE 30 HD2 PHE 30 -5.003 -2.712 1.801 201 HD2 PHE 30 HD1 PHE 30 -1.349 -1.082 3.383 202 HE1 PHE 30 HE2 PHE 30 -3.760 -3.531 -0.177 203 HE2 PHE 30 HE1 PHE 30 -0.095 -2.060 1.465 204 HZ PHE 30 HZ PHE 30 -1.311 -3.277 -0.269 205 H LYS 31 HN LYS 31 -7.025 -0.216 4.791 206 HA LYS 31 HA LYS 31 -8.340 -1.756 2.697 207 1HB LYS 31 2HB LYS 31 -10.205 -1.858 4.124 208 2HB LYS 31 3HB LYS 31 -8.741 -2.027 5.119 209 1HG LYS 31 2HG LYS 31 -8.883 0.518 5.466 210 2HG LYS 31 3HG LYS 31 -10.448 0.431 4.687 211 1HD LYS 31 2HD LYS 31 -11.160 -1.214 6.454 212 2HD LYS 31 3HD LYS 31 -9.543 -1.080 7.168 213 1HE LYS 31 2HE LYS 31 -11.206 0.351 8.390 214 2HE LYS 31 3HE LYS 31 -9.858 1.275 7.715 215 1HZ LYS 31 1HNZ LYS 31 -12.506 1.090 6.438 216 2HZ LYS 31 2HNZ LYS 31 -11.936 2.375 7.306 217 3HZ LYS 31 3HNZ LYS 31 -11.247 1.974 5.905 218 H ASP 32 HN ASP 32 -8.131 1.627 3.599 219 HA ASP 32 HA ASP 32 -10.444 2.486 2.030 220 1HB ASP 32 2HB ASP 32 -8.356 3.986 3.674 221 2HB ASP 32 3HB ASP 32 -9.735 4.733 2.883 222 H ILE 33 HN ILE 33 -7.007 1.908 1.469 223 HA ILE 33 HA ILE 33 -6.429 3.778 -0.462 224 HB ILE 33 HB ILE 33 -5.763 0.883 -0.192 225 1HG1 ILE 33 2HG1 ILE 33 -4.461 3.463 0.650 226 2HG1 ILE 33 3HG1 ILE 33 -5.001 2.210 1.682 227 1HG2 ILE 33 1HG2 ILE 33 -5.332 1.639 -2.502 228 2HG2 ILE 33 2HG2 ILE 33 -4.231 2.865 -1.805 229 3HG2 ILE 33 3HG2 ILE 33 -3.916 1.120 -1.608 230 1HD1 ILE 33 1HD1 ILE 33 -3.266 0.659 0.519 231 2HD1 ILE 33 2HD1 ILE 33 -2.551 2.187 -0.075 232 3HD1 ILE 33 3HD1 ILE 33 -2.716 1.876 1.666 233 HA PRO 34 HA PRO 34 -9.490 2.524 -3.570 234 1HB PRO 34 2HB PRO 34 -8.068 3.623 -5.791 235 2HB PRO 34 3HB PRO 34 -9.373 4.379 -4.849 236 1HG PRO 34 2HG PRO 34 -6.520 5.036 -4.867 237 2HG PRO 34 3HG PRO 34 -7.833 5.859 -3.979 238 1HD PRO 34 2HD PRO 34 -5.846 3.953 -2.973 239 2HD PRO 34 3HD PRO 34 -6.965 4.966 -2.048 240 H ASP 35 HN ASP 35 -9.645 0.643 -4.840 241 HA ASP 35 HA ASP 35 -7.411 -1.108 -5.010 242 1HB ASP 35 2HB ASP 35 -10.324 -1.048 -5.781 243 2HB ASP 35 3HB ASP 35 -9.276 -2.166 -6.601 244 H ASP 36 HN ASP 36 -8.262 1.539 -6.942 245 HA ASP 36 HA ASP 36 -7.065 0.733 -9.427 246 1HB ASP 36 2HB ASP 36 -8.528 2.916 -8.491 247 2HB ASP 36 3HB ASP 36 -6.945 3.520 -9.021 248 H TRP 37 HN TRP 37 -5.777 1.563 -6.340 249 HA TRP 37 HA TRP 37 -3.391 2.913 -7.157 250 1HB TRP 37 2HB TRP 37 -4.297 3.121 -4.914 251 2HB TRP 37 3HB TRP 37 -4.181 1.391 -4.679 252 HD1 TRP 37 HD TRP 37 -1.828 4.438 -4.781 253 HE1 TRP 37 HNE TRP 37 0.112 3.893 -3.140 254 HE3 TRP 37 HE TRP 37 -2.724 -0.527 -4.117 255 HZ2 TRP 37 HZ1 TRP 37 1.259 1.548 -1.955 256 HZ3 TRP 37 HZ2 TRP 37 -1.144 -1.933 -2.780 257 HH2 TRP 37 HH TRP 37 0.826 -0.896 -1.680 258 H VAL 38 HN VAL 38 -1.255 2.168 -6.927 259 HA VAL 38 HA VAL 38 -0.682 -0.690 -7.479 260 HB VAL 38 HB VAL 38 1.095 0.355 -9.069 261 1HG1 VAL 38 3HG1 VAL 38 -0.702 -1.170 -9.780 262 2HG1 VAL 38 1HG1 VAL 38 -1.850 0.183 -9.845 263 3HG1 VAL 38 2HG1 VAL 38 -0.481 0.122 -10.973 264 1HG2 VAL 38 1HG2 VAL 38 0.546 2.752 -8.532 265 2HG2 VAL 38 2HG2 VAL 38 0.452 2.357 -10.258 266 3HG2 VAL 38 3HG2 VAL 38 -1.034 2.525 -9.320 267 H CYS 39 HN CYN 39 1.519 -1.342 -6.919 268 HA CYS 39 HA CYN 39 2.204 -0.130 -4.381 269 1HB CYS 39 2HB CYN 39 2.175 -2.481 -4.473 270 2HB CYS 39 3HB CYN 39 3.162 -2.533 -5.924 271 HA PRO 40 HA PRO 40 5.218 2.648 -6.103 272 1HB PRO 40 2HB PRO 40 7.057 2.824 -4.029 273 2HB PRO 40 3HB PRO 40 5.489 3.674 -4.090 274 1HG PRO 40 2HG PRO 40 6.108 1.054 -2.715 275 2HG PRO 40 3HG PRO 40 5.230 2.466 -2.045 276 1HD PRO 40 2HD PRO 40 3.893 0.359 -3.013 277 2HD PRO 40 3HD PRO 40 3.317 2.004 -3.410 278 H LEU 41 HN LEU 41 6.255 1.782 -7.738 279 HA LEU 41 HA LEU 41 7.972 0.979 -8.953 280 1HB LEU 41 2HB LEU 41 9.299 -0.274 -6.537 281 2HB LEU 41 3HB LEU 41 10.004 0.160 -8.086 282 HG LEU 41 HG LEU 41 9.079 2.094 -5.912 283 1HD1 LEU 41 2HD1 LEU 41 11.185 0.954 -5.428 284 2HD1 LEU 41 3HD1 LEU 41 11.834 1.438 -7.010 285 3HD1 LEU 41 1HD1 LEU 41 11.455 2.667 -5.786 286 1HD2 LEU 41 2HD2 LEU 41 10.274 2.689 -8.661 287 2HD2 LEU 41 3HD2 LEU 41 8.635 3.119 -8.123 288 3HD2 LEU 41 1HD2 LEU 41 10.036 3.874 -7.359 289 H CYS 42 HN CYN 42 5.474 -0.601 -7.867 290 HA CYS 42 HA CYN 42 6.222 -3.173 -9.156 291 1HB CYS 42 2HB CYN 42 6.785 -3.662 -7.013 292 2HB CYS 42 3HB CYN 42 5.520 -2.659 -6.332 293 H GLY 43 HN GLY 43 4.921 -2.948 -10.867 294 1HA GLY 43 2HA GLY 43 2.283 -1.721 -10.734 295 2HA GLY 43 3HA GLY 43 3.064 -2.465 -12.134 296 H VAL 44 HN VAL 44 2.123 -3.703 -8.903 297 HA VAL 44 HA VAL 44 0.631 -5.968 -10.190 298 HB VAL 44 HB VAL 44 1.844 -5.600 -7.425 299 1HG1 VAL 44 1HG1 VAL 44 -0.010 -7.807 -8.425 300 2HG1 VAL 44 2HG1 VAL 44 1.009 -7.924 -6.975 301 3HG1 VAL 44 3HG1 VAL 44 -0.285 -6.727 -7.040 302 1HG2 VAL 44 1HG2 VAL 44 3.375 -6.305 -9.256 303 2HG2 VAL 44 2HG2 VAL 44 3.123 -7.607 -8.087 304 3HG2 VAL 44 3HG2 VAL 44 2.283 -7.645 -9.649 305 H GLY 45 HN GLY 45 0.253 -4.118 -7.131 306 1HA GLY 45 2HA GLY 45 -1.760 -2.507 -7.113 307 2HA GLY 45 3HA GLY 45 -2.667 -3.902 -7.702 308 H LYS 46 HN LYS 46 -3.879 -3.677 -5.751 309 HA LYS 46 HA LYS 46 -2.638 -4.650 -3.228 310 1HB LYS 46 2HB LYS 46 -5.550 -4.094 -3.806 311 2HB LYS 46 3HB LYS 46 -4.716 -4.174 -2.233 312 1HG LYS 46 2HG LYS 46 -3.668 -2.015 -2.675 313 2HG LYS 46 3HG LYS 46 -4.382 -1.996 -4.314 314 1HD LYS 46 2HD LYS 46 -5.840 -0.645 -3.112 315 2HD LYS 46 3HD LYS 46 -6.655 -2.206 -3.232 316 1HE LYS 46 2HE LYS 46 -5.812 -2.757 -0.901 317 2HE LYS 46 3HE LYS 46 -5.180 -1.124 -0.824 318 1HZ LYS 46 3HNZ LYS 46 -7.513 -0.348 -1.224 319 2HZ LYS 46 1HNZ LYS 46 -8.028 -1.884 -1.139 320 3HZ LYS 46 2HNZ LYS 46 -7.290 -1.149 0.188 321 H ASP 47 HN ASP 47 -3.875 -6.560 -2.271 322 HA ASP 47 HA ASP 47 -5.714 -8.106 -3.797 323 1HB ASP 47 2HB ASP 47 -2.833 -8.974 -3.890 324 2HB ASP 47 3HB ASP 47 -3.989 -10.239 -3.449 325 H GLN 48 HN GLN 48 -3.246 -9.323 -1.640 326 HA GLN 48 HA GLN 48 -5.318 -10.102 0.328 327 1HB GLN 48 2HB GLN 48 -2.976 -11.330 -0.823 328 2HB GLN 48 3HB GLN 48 -2.696 -11.199 0.909 329 1HG GLN 48 2HG GLN 48 -5.234 -12.368 -0.325 330 2HG GLN 48 3HG GLN 48 -3.802 -13.322 0.093 331 1HE2 GLN 48 2HNE GLN 48 -5.948 -13.758 3.009 332 2HE2 GLN 48 1HNE GLN 48 -5.882 -14.296 1.336 333 H PHE 49 HN PHE 49 -2.084 -8.629 0.262 334 HA PHE 49 HA PHE 49 -0.925 -7.366 1.680 335 1HB PHE 49 2HB PHE 49 -2.050 -5.304 2.493 336 2HB PHE 49 3HB PHE 49 -2.134 -5.653 0.785 337 HD1 PHE 49 HD2 PHE 49 -4.248 -6.347 -0.301 338 HD2 PHE 49 HD1 PHE 49 -4.148 -5.297 3.855 339 HE1 PHE 49 HE2 PHE 49 -6.706 -6.026 -0.325 340 HE2 PHE 49 HE1 PHE 49 -6.583 -4.895 3.827 341 HZ PHE 49 HZ PHE 49 -7.877 -5.267 1.732 342 H GLU 50 HN GLU 50 -0.077 -8.561 3.284 343 HA GLU 50 HA GLU 50 -1.705 -9.509 5.533 344 1HB GLU 50 2HB GLU 50 1.264 -9.605 4.865 345 2HB GLU 50 3HB GLU 50 0.574 -10.313 6.310 346 1HG GLU 50 2HG GLU 50 -0.795 -11.857 5.015 347 2HG GLU 50 3HG GLU 50 -0.386 -11.052 3.494 348 H GLU 51 HN GLU 51 -1.644 -8.537 7.624 349 HA GLU 51 HA GLU 51 -0.852 -5.737 7.701 350 1HB GLU 51 2HB GLU 51 -3.001 -6.484 8.663 351 2HB GLU 51 3HB GLU 51 -2.160 -7.692 9.659 352 1HG GLU 51 2HG GLU 51 -1.090 -6.089 10.920 353 2HG GLU 51 3HG GLU 51 -1.664 -4.712 9.951 354 H VAL 52 HN VAL 52 0.938 -4.975 8.765 355 HA VAL 52 HA VAL 52 2.899 -6.893 9.892 356 HB VAL 52 HB VAL 52 3.015 -4.180 8.510 357 1HG1 VAL 52 3HG1 VAL 52 5.179 -5.552 10.149 358 2HG1 VAL 52 1HG1 VAL 52 5.441 -4.167 9.054 359 3HG1 VAL 52 2HG1 VAL 52 4.401 -3.983 10.471 360 1HG2 VAL 52 2HG2 VAL 52 3.052 -6.160 7.079 361 2HG2 VAL 52 3HG2 VAL 52 4.550 -5.212 7.050 362 3HG2 VAL 52 1HG2 VAL 52 4.491 -6.754 7.946 363 H GLU 53 HN GLU 53 2.551 -6.960 12.056 364 HA GLU 53 HA GLU 53 1.190 -5.041 13.571 365 1HB GLU 53 2HB GLU 53 1.872 -6.454 15.425 366 2HB GLU 53 3HB GLU 53 1.127 -7.345 14.096 367 1HG GLU 53 2HG GLU 53 3.464 -8.089 13.382 368 2HG GLU 53 3HG GLU 53 4.091 -7.288 14.824 369 H GLU 54 HN GLU 54 2.742 -3.401 12.561 370 HA GLU 54 HA GLU 54 4.407 -2.314 14.773 371 1HB GLU 54 2HB GLU 54 4.651 -1.661 11.814 372 2HB GLU 54 3HB GLU 54 5.523 -0.891 13.149 373 1HG GLU 54 2HG GLU 54 6.155 -3.556 13.528 374 2HG GLU 54 3HG GLU 54 6.099 -3.459 11.770 No H/Q in entry = 374 Start of MODEL 11 1 1H MET 1 1HN MET 1 -5.612 -0.879 9.518 2 2H MET 1 2HN MET 1 -6.495 0.548 9.418 3 3H MET 1 3HN MET 1 -5.357 0.209 8.351 4 HA MET 1 HA MET 1 -4.953 0.738 11.239 5 1HB MET 1 2HB MET 1 -3.094 2.346 10.194 6 2HB MET 1 3HB MET 1 -4.033 2.158 8.732 7 1HG MET 1 2HG MET 1 -5.981 2.987 9.955 8 2HG MET 1 3HG MET 1 -5.068 3.091 11.457 9 1HE MET 1 2HE MET 1 -3.341 4.905 12.092 10 2HE MET 1 3HE MET 1 -2.279 4.457 10.734 11 3HE MET 1 1HE MET 1 -2.744 6.149 10.977 12 H LYS 2 HN LYS 2 -2.297 0.973 11.328 13 HA LYS 2 HA LYS 2 -0.318 -0.026 11.458 14 1HB LYS 2 2HB LYS 2 -1.606 -2.700 10.900 15 2HB LYS 2 3HB LYS 2 -0.128 -2.327 11.811 16 1HG LYS 2 2HG LYS 2 -1.703 -0.955 13.380 17 2HG LYS 2 3HG LYS 2 -3.017 -1.857 12.568 18 1HD LYS 2 2HD LYS 2 -1.300 -3.890 13.067 19 2HD LYS 2 3HD LYS 2 -0.844 -2.807 14.397 20 1HE LYS 2 2HE LYS 2 -3.296 -2.715 15.048 21 2HE LYS 2 3HE LYS 2 -3.665 -3.780 13.670 22 1HZ LYS 2 3HNZ LYS 2 -1.915 -4.552 15.894 23 2HZ LYS 2 1HNZ LYS 2 -3.490 -5.013 15.719 24 3HZ LYS 2 2HNZ LYS 2 -2.379 -5.470 14.586 25 H LYS 3 HN LYS 3 1.285 -1.532 10.306 26 HA LYS 3 HA LYS 3 1.364 -0.545 7.562 27 1HB LYS 3 2HB LYS 3 3.344 -2.161 9.208 28 2HB LYS 3 3HB LYS 3 3.640 -1.405 7.639 29 1HG LYS 3 2HG LYS 3 3.058 0.810 8.607 30 2HG LYS 3 3HG LYS 3 2.826 0.076 10.172 31 1HD LYS 3 2HD LYS 3 5.259 -0.844 9.914 32 2HD LYS 3 3HD LYS 3 5.418 0.355 8.614 33 1HE LYS 3 2HE LYS 3 4.751 2.147 10.288 34 2HE LYS 3 3HE LYS 3 4.640 0.896 11.533 35 1HZ LYS 3 3HNZ LYS 3 6.957 0.444 11.237 36 2HZ LYS 3 1HNZ LYS 3 7.109 1.610 10.095 37 3HZ LYS 3 2HNZ LYS 3 6.731 2.002 11.653 38 H TYR 4 HN TYR 4 2.141 -2.045 5.897 39 HA TYR 4 HA TYR 4 1.011 -4.782 6.104 40 1HB TYR 4 2HB TYR 4 0.025 -2.659 4.192 41 2HB TYR 4 3HB TYR 4 -0.139 -4.353 3.812 42 HD1 TYR 4 HD1 TYR 4 -1.328 -1.714 6.161 43 HD2 TYR 4 HD2 TYR 4 -1.782 -5.711 4.707 44 HE1 TYR 4 HE1 TYR 4 -3.363 -1.976 7.532 45 HE2 TYR 4 HE2 TYR 4 -3.688 -6.078 6.304 46 HH TYR 4 HOH TYR 4 -4.321 -4.568 8.848 47 H THR 5 HN THR 5 2.125 -6.280 4.908 48 HA THR 5 HA THR 5 4.326 -5.415 3.150 49 HB THR 5 HB THR 5 3.144 -8.187 3.564 50 HG1 THR 5 HG1 THR 5 5.186 -6.804 4.967 51 1HG2 THR 5 2HG2 THR 5 5.898 -7.243 2.624 52 2HG2 THR 5 3HG2 THR 5 5.469 -8.918 3.036 53 3HG2 THR 5 1HG2 THR 5 4.688 -8.124 1.666 54 H CYS 6 HN CYN 6 4.288 -5.176 0.908 55 HA CYS 6 HA CYN 6 1.823 -5.409 -0.561 56 1HB CYS 6 2HB CYN 6 3.412 -3.790 -1.264 57 2HB CYS 6 3HB CYN 6 4.681 -5.004 -1.434 58 H THR 7 HN THR 7 1.224 -6.869 -1.962 59 HA THR 7 HA THR 7 0.919 -9.419 -1.505 60 HB THR 7 HB THR 7 0.499 -9.713 -3.952 61 HG1 THR 7 HG1 THR 7 1.728 -7.128 -4.091 62 1HG2 THR 7 3HG2 THR 7 -1.134 -8.511 -2.453 63 2HG2 THR 7 1HG2 THR 7 -0.456 -6.967 -3.010 64 3HG2 THR 7 2HG2 THR 7 -1.223 -8.064 -4.165 65 H VAL 8 HN VAL 8 3.087 -8.937 -4.240 66 HA VAL 8 HA VAL 8 4.828 -11.217 -3.328 67 HB VAL 8 HB VAL 8 4.861 -11.864 -5.772 68 1HG1 VAL 8 1HG1 VAL 8 3.603 -13.118 -4.074 69 2HG1 VAL 8 2HG1 VAL 8 2.185 -12.082 -4.337 70 3HG1 VAL 8 3HG1 VAL 8 2.775 -13.132 -5.641 71 1HG2 VAL 8 1HG2 VAL 8 3.874 -9.728 -6.710 72 2HG2 VAL 8 2HG2 VAL 8 3.036 -11.198 -7.227 73 3HG2 VAL 8 3HG2 VAL 8 2.320 -10.173 -5.978 74 H CYS 9 HN CYN 9 5.654 -8.937 -2.578 75 HA CYS 9 HA CYN 9 7.517 -7.793 -4.634 76 1HB CYS 9 2HB CYN 9 5.399 -6.673 -4.623 77 2HB CYS 9 3HB CYN 9 5.421 -6.553 -2.867 78 H GLY 10 HN GLY 10 6.652 -6.841 -1.299 79 1HA GLY 10 2HA GLY 10 8.268 -7.697 0.502 80 2HA GLY 10 3HA GLY 10 9.546 -7.057 -0.542 81 H TYR 11 HN TYR 11 7.865 -4.722 -1.459 82 HA TYR 11 HA TYR 11 8.687 -2.881 0.556 83 1HB TYR 11 2HB TYR 11 6.880 -2.660 -1.865 84 2HB TYR 11 3HB TYR 11 6.941 -1.356 -0.696 85 HD1 TYR 11 HD1 TYR 11 8.893 0.034 -0.361 86 HD2 TYR 11 HD2 TYR 11 8.929 -3.184 -3.231 87 HE1 TYR 11 HE1 TYR 11 10.968 0.945 -1.367 88 HE2 TYR 11 HE2 TYR 11 10.981 -2.267 -4.240 89 HH TYR 11 HOH TYR 11 12.558 -0.598 -4.170 90 H ILE 12 HN ILE 12 7.637 -1.871 2.214 91 HA ILE 12 HA ILE 12 5.086 -3.096 3.115 92 HB ILE 12 HB ILE 12 7.507 -2.129 4.618 93 1HG1 ILE 12 2HG1 ILE 12 5.631 -4.523 4.900 94 2HG1 ILE 12 3HG1 ILE 12 7.073 -4.531 3.885 95 1HG2 ILE 12 2HG2 ILE 12 4.669 -2.310 5.727 96 2HG2 ILE 12 3HG2 ILE 12 6.127 -2.202 6.731 97 3HG2 ILE 12 1HG2 ILE 12 5.692 -0.856 5.706 98 1HD1 ILE 12 3HD1 ILE 12 8.505 -4.166 5.849 99 2HD1 ILE 12 1HD1 ILE 12 7.078 -4.192 6.911 100 3HD1 ILE 12 2HD1 ILE 12 7.521 -5.634 5.993 101 H TYR 13 HN TYR 13 3.388 -1.884 2.961 102 HA TYR 13 HA TYR 13 3.469 0.998 2.419 103 1HB TYR 13 2HB TYR 13 1.744 -0.461 1.441 104 2HB TYR 13 3HB TYR 13 1.268 -0.978 3.068 105 HD1 TYR 13 HD2 TYR 13 -0.016 0.496 4.555 106 HD2 TYR 13 HD1 TYR 13 0.891 1.601 0.517 107 HE1 TYR 13 HE2 TYR 13 -1.611 2.380 4.688 108 HE2 TYR 13 HE1 TYR 13 -0.258 3.794 0.861 109 HH TYR 13 HOH TYR 13 -2.370 4.374 3.713 110 H ASN 14 HN ASN 14 3.153 2.568 3.978 111 HA ASN 14 HA ASN 14 2.563 1.740 6.777 112 1HB ASN 14 2HB ASN 14 4.975 2.350 6.492 113 2HB ASN 14 3HB ASN 14 4.477 3.924 5.879 114 1HD2 ASN 14 2HND ASN 14 5.160 4.525 9.410 115 2HD2 ASN 14 1HND ASN 14 5.830 4.603 7.789 116 HA PRO 15 HA PRO 15 -0.744 4.386 5.522 117 1HB PRO 15 2HB PRO 15 -2.242 4.354 7.903 118 2HB PRO 15 3HB PRO 15 -2.358 3.140 6.620 119 1HG PRO 15 2HG PRO 15 -0.926 2.957 9.229 120 2HG PRO 15 3HG PRO 15 -1.662 1.675 8.220 121 1HD PRO 15 2HD PRO 15 1.049 2.254 8.457 122 2HD PRO 15 3HD PRO 15 0.389 1.283 7.151 123 H GLU 16 HN GLU 16 0.941 4.886 8.618 124 HA GLU 16 HA GLU 16 -0.015 7.525 9.044 125 1HB GLU 16 2HB GLU 16 2.578 6.164 9.859 126 2HB GLU 16 3HB GLU 16 1.967 7.699 10.461 127 1HG GLU 16 2HG GLU 16 -0.214 6.387 11.060 128 2HG GLU 16 3HG GLU 16 0.743 4.916 10.807 129 H ASP 17 HN ASP 17 2.392 6.194 6.907 130 HA ASP 17 HA ASP 17 3.542 8.860 6.202 131 1HB ASP 17 2HB ASP 17 4.118 6.031 5.287 132 2HB ASP 17 3HB ASP 17 4.956 7.460 4.683 133 H GLY 18 HN GLY 18 1.350 6.329 5.042 134 1HA GLY 18 2HA GLY 18 0.042 6.138 3.259 135 2HA GLY 18 3HA GLY 18 0.217 7.868 2.905 136 H ASP 19 HN ASP 19 0.396 7.311 0.679 137 HA ASP 19 HA ASP 19 3.157 6.901 -0.188 138 1HB ASP 19 2HB ASP 19 1.015 4.907 -0.691 139 2HB ASP 19 3HB ASP 19 1.738 5.479 -2.176 140 HA PRO 20 HA PRO 20 0.328 10.313 -1.677 141 1HB PRO 20 2HB PRO 20 2.033 12.460 -1.238 142 2HB PRO 20 3HB PRO 20 0.849 11.819 -0.059 143 1HG PRO 20 2HG PRO 20 3.810 11.235 -0.245 144 2HG PRO 20 3HG PRO 20 2.843 11.576 1.221 145 1HD PRO 20 2HD PRO 20 3.514 9.048 0.523 146 2HD PRO 20 3HD PRO 20 1.902 9.401 1.200 147 H ASP 21 HN ASP 21 3.789 9.632 -2.366 148 HA ASP 21 HA ASP 21 4.068 11.150 -4.699 149 1HB ASP 21 2HB ASP 21 5.309 8.524 -3.738 150 2HB ASP 21 3HB ASP 21 5.906 9.481 -5.095 151 H ASN 22 HN ASN 22 2.473 8.125 -4.014 152 HA ASN 22 HA ASN 22 2.106 7.417 -6.872 153 1HB ASN 22 2HB ASN 22 1.348 5.917 -4.348 154 2HB ASN 22 3HB ASN 22 1.345 5.266 -5.987 155 1HD2 ASN 22 2HND ASN 22 4.775 5.414 -3.759 156 2HD2 ASN 22 1HND ASN 22 3.364 6.263 -3.243 157 H GLY 23 HN GLY 23 0.471 8.618 -4.087 158 1HA GLY 23 2HA GLY 23 -1.285 10.206 -4.843 159 2HA GLY 23 3HA GLY 23 -2.101 8.851 -5.630 160 H VAL 24 HN VAL 24 -0.651 8.037 -2.566 161 HA VAL 24 HA VAL 24 -3.370 7.925 -1.308 162 HB VAL 24 HB VAL 24 -0.865 6.260 -1.070 163 1HG1 VAL 24 2HG1 VAL 24 -3.418 6.176 0.556 164 2HG1 VAL 24 3HG1 VAL 24 -2.264 4.833 0.454 165 3HG1 VAL 24 1HG1 VAL 24 -1.749 6.377 1.158 166 1HG2 VAL 24 2HG2 VAL 24 -2.370 5.828 -3.036 167 2HG2 VAL 24 3HG2 VAL 24 -2.299 4.461 -1.908 168 3HG2 VAL 24 1HG2 VAL 24 -3.711 5.540 -1.915 169 H ASN 25 HN ASN 25 -3.643 9.539 0.096 170 HA ASN 25 HA ASN 25 -1.495 11.164 1.064 171 1HB ASN 25 2HB ASN 25 -4.466 10.931 1.668 172 2HB ASN 25 3HB ASN 25 -3.441 11.938 2.678 173 1HD2 ASN 25 2HND ASN 25 -3.951 13.098 -1.249 174 2HD2 ASN 25 1HND ASN 25 -4.134 11.405 -0.858 175 HA PRO 26 HA PRO 26 -0.353 8.999 4.803 176 1HB PRO 26 2HB PRO 26 -0.049 11.089 6.622 177 2HB PRO 26 3HB PRO 26 1.171 10.523 5.463 178 1HG PRO 26 2HG PRO 26 -0.678 12.878 5.227 179 2HG PRO 26 3HG PRO 26 1.030 12.708 4.697 180 1HD PRO 26 2HD PRO 26 -1.121 12.547 2.979 181 2HD PRO 26 3HD PRO 26 0.400 11.646 2.709 182 H GLY 27 HN GLY 27 -1.254 8.245 6.628 183 1HA GLY 27 2HA GLY 27 -2.854 7.738 8.183 184 2HA GLY 27 3HA GLY 27 -3.679 9.276 7.864 185 H THR 28 HN THR 28 -3.039 7.181 4.997 186 HA THR 28 HA THR 28 -5.955 6.731 4.901 187 HB THR 28 HB THR 28 -3.696 6.247 2.912 188 HG1 THR 28 HG1 THR 28 -4.090 8.404 3.029 189 1HG2 THR 28 1HG2 THR 28 -6.711 5.990 2.694 190 2HG2 THR 28 2HG2 THR 28 -5.603 5.966 1.301 191 3HG2 THR 28 3HG2 THR 28 -5.494 4.696 2.538 192 H ASP 29 HN ASP 29 -6.710 4.929 5.724 193 HA ASP 29 HA ASP 29 -5.091 2.741 6.611 194 1HB ASP 29 2HB ASP 29 -7.494 3.406 7.284 195 2HB ASP 29 3HB ASP 29 -8.016 2.585 5.836 196 H PHE 30 HN PHE 30 -4.576 0.886 5.565 197 HA PHE 30 HA PHE 30 -4.265 0.702 2.772 198 1HB PHE 30 2HB PHE 30 -3.361 -0.727 4.784 199 2HB PHE 30 3HB PHE 30 -4.760 -1.755 4.489 200 HD1 PHE 30 HD1 PHE 30 -5.048 -2.554 1.921 201 HD2 PHE 30 HD2 PHE 30 -1.411 -1.030 3.637 202 HE1 PHE 30 HE1 PHE 30 -3.797 -3.142 -0.143 203 HE2 PHE 30 HE2 PHE 30 -0.136 -1.950 1.694 204 HZ PHE 30 HZ PHE 30 -1.327 -2.953 -0.160 205 H LYS 31 HN LYS 31 -7.119 -0.023 4.830 206 HA LYS 31 HA LYS 31 -8.381 -1.573 2.698 207 1HB LYS 31 2HB LYS 31 -10.313 -1.665 4.022 208 2HB LYS 31 3HB LYS 31 -8.893 -1.927 5.060 209 1HG LYS 31 2HG LYS 31 -8.975 0.577 5.562 210 2HG LYS 31 3HG LYS 31 -10.513 0.619 4.711 211 1HD LYS 31 2HD LYS 31 -11.365 -1.122 6.288 212 2HD LYS 31 3HD LYS 31 -9.799 -1.041 7.144 213 1HE LYS 31 2HE LYS 31 -10.173 1.473 7.436 214 2HE LYS 31 3HE LYS 31 -11.779 1.282 6.733 215 1HZ LYS 31 3HNZ LYS 31 -12.310 -0.181 8.584 216 2HZ LYS 31 1HNZ LYS 31 -10.792 0.033 9.209 217 3HZ LYS 31 2HNZ LYS 31 -11.829 1.306 9.111 218 H ASP 32 HN ASP 32 -8.276 1.808 3.711 219 HA ASP 32 HA ASP 32 -10.502 2.701 2.102 220 1HB ASP 32 2HB ASP 32 -8.282 4.254 3.502 221 2HB ASP 32 3HB ASP 32 -9.747 4.937 2.803 222 H ILE 33 HN ILE 33 -7.044 2.085 1.522 223 HA ILE 33 HA ILE 33 -6.439 3.887 -0.442 224 HB ILE 33 HB ILE 33 -5.801 0.980 -0.198 225 1HG1 ILE 33 2HG1 ILE 33 -4.486 3.550 0.690 226 2HG1 ILE 33 3HG1 ILE 33 -5.059 2.303 1.726 227 1HG2 ILE 33 3HG2 ILE 33 -5.319 1.802 -2.466 228 2HG2 ILE 33 1HG2 ILE 33 -4.221 2.995 -1.707 229 3HG2 ILE 33 2HG2 ILE 33 -3.934 1.239 -1.535 230 1HD1 ILE 33 1HD1 ILE 33 -3.314 0.739 0.614 231 2HD1 ILE 33 2HD1 ILE 33 -2.583 2.249 -0.001 232 3HD1 ILE 33 3HD1 ILE 33 -2.753 1.972 1.739 233 HA PRO 34 HA PRO 34 -9.514 2.645 -3.509 234 1HB PRO 34 2HB PRO 34 -8.220 3.782 -5.764 235 2HB PRO 34 3HB PRO 34 -9.425 4.542 -4.703 236 1HG PRO 34 2HG PRO 34 -6.530 5.074 -4.882 237 2HG PRO 34 3HG PRO 34 -7.773 5.986 -3.982 238 1HD PRO 34 2HD PRO 34 -5.842 4.057 -2.956 239 2HD PRO 34 3HD PRO 34 -6.960 5.076 -2.038 240 H ASP 35 HN ASP 35 -9.719 0.801 -4.812 241 HA ASP 35 HA ASP 35 -7.518 -0.999 -5.104 242 1HB ASP 35 2HB ASP 35 -10.458 -0.854 -5.808 243 2HB ASP 35 3HB ASP 35 -9.431 -2.034 -6.570 244 H ASP 36 HN ASP 36 -8.350 1.753 -6.884 245 HA ASP 36 HA ASP 36 -7.249 0.975 -9.434 246 1HB ASP 36 2HB ASP 36 -8.621 3.192 -8.357 247 2HB ASP 36 3HB ASP 36 -7.098 3.737 -9.083 248 H TRP 37 HN TRP 37 -5.929 1.801 -6.341 249 HA TRP 37 HA TRP 37 -3.501 3.076 -7.295 250 1HB TRP 37 2HB TRP 37 -4.378 3.549 -5.065 251 2HB TRP 37 3HB TRP 37 -4.271 1.845 -4.649 252 HD1 TRP 37 HD TRP 37 -1.880 4.810 -5.215 253 HE1 TRP 37 HNE TRP 37 0.247 4.336 -3.859 254 HE3 TRP 37 HE TRP 37 -2.827 0.010 -3.921 255 HZ2 TRP 37 HZ1 TRP 37 1.386 2.144 -2.343 256 HZ3 TRP 37 HZ2 TRP 37 -1.195 -1.299 -2.521 257 HH2 TRP 37 HH TRP 37 0.898 -0.219 -1.728 258 H VAL 38 HN VAL 38 -1.410 2.201 -7.129 259 HA VAL 38 HA VAL 38 -1.134 -0.760 -7.272 260 HB VAL 38 HB VAL 38 -0.105 1.263 -9.316 261 1HG1 VAL 38 3HG1 VAL 38 0.403 -1.716 -9.042 262 2HG1 VAL 38 1HG1 VAL 38 0.779 -0.778 -10.501 263 3HG1 VAL 38 2HG1 VAL 38 1.631 -0.428 -9.000 264 1HG2 VAL 38 1HG2 VAL 38 -2.058 -1.081 -9.532 265 2HG2 VAL 38 2HG2 VAL 38 -2.469 0.639 -9.690 266 3HG2 VAL 38 3HG2 VAL 38 -1.450 -0.133 -10.904 267 H CYS 39 HN CYN 39 1.022 -1.492 -6.821 268 HA CYS 39 HA CYN 39 2.138 -0.113 -4.582 269 1HB CYS 39 2HB CYN 39 1.995 -2.469 -4.562 270 2HB CYS 39 3HB CYN 39 2.802 -2.622 -6.121 271 HA PRO 40 HA PRO 40 5.210 2.272 -6.831 272 1HB PRO 40 2HB PRO 40 7.147 2.591 -4.878 273 2HB PRO 40 3HB PRO 40 5.625 3.510 -4.947 274 1HG PRO 40 2HG PRO 40 6.215 1.031 -3.322 275 2HG PRO 40 3HG PRO 40 5.436 2.548 -2.771 276 1HD PRO 40 2HD PRO 40 3.977 0.392 -3.426 277 2HD PRO 40 3HD PRO 40 3.423 2.015 -3.925 278 H LEU 41 HN LEU 41 6.314 1.242 -8.381 279 HA LEU 41 HA LEU 41 8.055 0.259 -9.439 280 1HB LEU 41 2HB LEU 41 9.432 -0.276 -6.790 281 2HB LEU 41 3HB LEU 41 10.144 -0.053 -8.385 282 HG LEU 41 HG LEU 41 8.834 2.069 -6.629 283 1HD1 LEU 41 2HD1 LEU 41 11.066 1.358 -5.921 284 2HD1 LEU 41 3HD1 LEU 41 11.705 1.686 -7.548 285 3HD1 LEU 41 1HD1 LEU 41 11.088 3.017 -6.545 286 1HD2 LEU 41 2HD2 LEU 41 10.058 2.331 -9.427 287 2HD2 LEU 41 3HD2 LEU 41 8.353 2.606 -9.010 288 3HD2 LEU 41 1HD2 LEU 41 9.596 3.692 -8.383 289 H CYS 42 HN CYN 42 5.827 -1.271 -9.044 290 HA CYS 42 HA CYN 42 6.805 -4.034 -8.898 291 1HB CYS 42 2HB CYN 42 6.340 -3.321 -6.584 292 2HB CYS 42 3HB CYN 42 4.752 -2.742 -7.102 293 H GLY 43 HN GLY 43 4.583 -5.341 -9.258 294 1HA GLY 43 2HA GLY 43 3.322 -4.267 -11.728 295 2HA GLY 43 3HA GLY 43 3.168 -5.900 -11.050 296 H VAL 44 HN VAL 44 0.828 -5.638 -11.307 297 HA VAL 44 HA VAL 44 -0.746 -3.748 -9.913 298 HB VAL 44 HB VAL 44 -2.481 -5.584 -9.859 299 1HG1 VAL 44 2HG1 VAL 44 -2.355 -3.914 -11.650 300 2HG1 VAL 44 3HG1 VAL 44 -1.207 -4.932 -12.547 301 3HG1 VAL 44 1HG1 VAL 44 -2.873 -5.485 -12.277 302 1HG2 VAL 44 1HG2 VAL 44 -0.961 -7.577 -9.877 303 2HG2 VAL 44 2HG2 VAL 44 -2.152 -7.590 -11.181 304 3HG2 VAL 44 3HG2 VAL 44 -0.474 -7.164 -11.535 305 H GLY 45 HN GLY 45 -1.205 -3.435 -7.816 306 1HA GLY 45 2HA GLY 45 -0.292 -5.396 -5.754 307 2HA GLY 45 3HA GLY 45 0.085 -3.664 -5.650 308 H LYS 46 HN LYS 46 -1.254 -4.287 -3.569 309 HA LYS 46 HA LYS 46 -3.141 -4.223 -2.340 310 1HB LYS 46 2HB LYS 46 -3.546 -2.095 -2.646 311 2HB LYS 46 3HB LYS 46 -3.665 -2.175 -4.403 312 1HG LYS 46 2HG LYS 46 -5.886 -2.571 -4.430 313 2HG LYS 46 3HG LYS 46 -5.952 -3.400 -2.879 314 1HD LYS 46 2HD LYS 46 -5.374 -0.437 -3.036 315 2HD LYS 46 3HD LYS 46 -7.004 -1.089 -3.057 316 1HE LYS 46 2HE LYS 46 -5.819 -2.506 -0.942 317 2HE LYS 46 3HE LYS 46 -5.183 -0.905 -0.776 318 1HZ LYS 46 3HNZ LYS 46 -7.608 -0.162 -0.990 319 2HZ LYS 46 1HNZ LYS 46 -8.046 -1.721 -0.903 320 3HZ LYS 46 2HNZ LYS 46 -7.235 -0.987 0.376 321 H ASP 47 HN ASP 47 -3.168 -6.408 -2.623 322 HA ASP 47 HA ASP 47 -5.867 -7.296 -3.161 323 1HB ASP 47 2HB ASP 47 -5.120 -7.756 -5.367 324 2HB ASP 47 3HB ASP 47 -3.581 -8.426 -4.815 325 H GLN 48 HN GLN 48 -3.509 -9.835 -3.031 326 HA GLN 48 HA GLN 48 -4.166 -10.480 -0.354 327 1HB GLN 48 2HB GLN 48 -3.419 -11.995 -2.290 328 2HB GLN 48 3HB GLN 48 -1.771 -11.498 -1.907 329 1HG GLN 48 2HG GLN 48 -2.625 -12.221 0.588 330 2HG GLN 48 3HG GLN 48 -3.714 -13.219 -0.380 331 1HE2 GLN 48 2HNE GLN 48 -0.349 -14.897 0.454 332 2HE2 GLN 48 1HNE GLN 48 -1.427 -13.946 1.453 333 H PHE 49 HN PHE 49 -3.502 -8.079 0.350 334 HA PHE 49 HA PHE 49 -0.657 -7.795 1.078 335 1HB PHE 49 2HB PHE 49 -1.517 -5.794 2.371 336 2HB PHE 49 3HB PHE 49 -1.703 -5.748 0.637 337 HD1 PHE 49 HD2 PHE 49 -3.668 -6.482 3.781 338 HD2 PHE 49 HD1 PHE 49 -3.869 -5.665 -0.425 339 HE1 PHE 49 HE2 PHE 49 -5.992 -5.712 4.059 340 HE2 PHE 49 HE1 PHE 49 -6.267 -5.112 -0.193 341 HZ PHE 49 HZ PHE 49 -7.315 -5.030 2.064 342 H GLU 50 HN GLU 50 0.197 -8.003 3.179 343 HA GLU 50 HA GLU 50 -1.488 -9.466 5.195 344 1HB GLU 50 2HB GLU 50 1.487 -9.664 4.550 345 2HB GLU 50 3HB GLU 50 0.761 -10.272 6.024 346 1HG GLU 50 2HG GLU 50 -0.821 -11.665 4.575 347 2HG GLU 50 3HG GLU 50 0.140 -11.171 3.169 348 H GLU 51 HN GLU 51 -1.346 -8.663 7.378 349 HA GLU 51 HA GLU 51 -0.628 -5.852 7.541 350 1HB GLU 51 2HB GLU 51 -2.739 -6.566 8.503 351 2HB GLU 51 3HB GLU 51 -1.958 -7.854 9.428 352 1HG GLU 51 2HG GLU 51 -0.857 -6.407 10.816 353 2HG GLU 51 3HG GLU 51 -1.172 -4.955 9.835 354 H VAL 52 HN VAL 52 1.060 -5.038 8.701 355 HA VAL 52 HA VAL 52 3.164 -6.891 9.651 356 HB VAL 52 HB VAL 52 3.073 -4.104 8.429 357 1HG1 VAL 52 1HG1 VAL 52 5.381 -5.456 9.889 358 2HG1 VAL 52 2HG1 VAL 52 5.523 -4.000 8.862 359 3HG1 VAL 52 3HG1 VAL 52 4.551 -3.950 10.337 360 1HG2 VAL 52 2HG2 VAL 52 3.157 -6.076 6.940 361 2HG2 VAL 52 3HG2 VAL 52 4.534 -4.965 6.834 362 3HG2 VAL 52 1HG2 VAL 52 4.710 -6.525 7.680 363 H GLU 53 HN GLU 53 2.655 -7.251 11.755 364 HA GLU 53 HA GLU 53 1.547 -5.303 13.527 365 1HB GLU 53 2HB GLU 53 1.823 -7.071 15.146 366 2HB GLU 53 3HB GLU 53 0.932 -7.585 13.711 367 1HG GLU 53 2HG GLU 53 3.035 -8.760 12.914 368 2HG GLU 53 3HG GLU 53 3.812 -8.302 14.428 369 H GLU 54 HN GLU 54 3.400 -3.920 12.753 370 HA GLU 54 HA GLU 54 5.622 -3.768 14.744 371 1HB GLU 54 2HB GLU 54 4.580 -1.700 12.767 372 2HB GLU 54 3HB GLU 54 5.896 -1.467 13.921 373 1HG GLU 54 2HG GLU 54 6.595 -3.828 12.487 374 2HG GLU 54 3HG GLU 54 5.996 -2.681 11.280 No H/Q in entry = 374 Start of MODEL 12 1 1H MET 1 1HN MET 1 -5.451 -0.831 9.121 2 2H MET 1 2HN MET 1 -6.436 0.530 9.104 3 3H MET 1 3HN MET 1 -5.242 0.340 8.030 4 HA MET 1 HA MET 1 -4.981 0.784 10.935 5 1HB MET 1 2HB MET 1 -3.201 2.498 10.198 6 2HB MET 1 3HB MET 1 -3.734 2.174 8.543 7 1HG MET 1 2HG MET 1 -5.919 2.878 9.145 8 2HG MET 1 3HG MET 1 -5.493 3.152 10.830 9 1HE MET 1 2HE MET 1 -6.798 5.443 10.401 10 2HE MET 1 3HE MET 1 -6.153 6.774 9.417 11 3HE MET 1 1HE MET 1 -6.865 5.354 8.621 12 H LYS 2 HN LYS 2 -2.324 1.018 11.111 13 HA LYS 2 HA LYS 2 -0.310 -0.038 11.285 14 1HB LYS 2 2HB LYS 2 -1.738 -2.623 10.739 15 2HB LYS 2 3HB LYS 2 -0.251 -2.377 11.664 16 1HG LYS 2 2HG LYS 2 -1.526 -1.188 13.435 17 2HG LYS 2 3HG LYS 2 -3.039 -1.452 12.512 18 1HD LYS 2 2HD LYS 2 -2.401 -3.877 12.368 19 2HD LYS 2 3HD LYS 2 -1.181 -3.597 13.601 20 1HE LYS 2 2HE LYS 2 -4.222 -3.177 13.764 21 2HE LYS 2 3HE LYS 2 -3.350 -4.555 14.443 22 1HZ LYS 2 3HNZ LYS 2 -2.986 -1.751 15.292 23 2HZ LYS 2 1HNZ LYS 2 -3.845 -2.888 16.116 24 3HZ LYS 2 2HNZ LYS 2 -2.219 -3.059 15.932 25 H LYS 3 HN LYS 3 1.206 -1.722 10.167 26 HA LYS 3 HA LYS 3 1.344 -0.649 7.446 27 1HB LYS 3 2HB LYS 3 3.306 -2.279 9.087 28 2HB LYS 3 3HB LYS 3 3.630 -1.472 7.549 29 1HG LYS 3 2HG LYS 3 3.077 0.714 8.561 30 2HG LYS 3 3HG LYS 3 2.698 -0.078 10.082 31 1HD LYS 3 2HD LYS 3 4.991 -1.018 10.194 32 2HD LYS 3 3HD LYS 3 5.465 0.006 8.826 33 1HE LYS 3 2HE LYS 3 5.235 2.001 10.099 34 2HE LYS 3 3HE LYS 3 4.072 1.276 11.220 35 1HZ LYS 3 2HNZ LYS 3 6.906 0.524 11.221 36 2HZ LYS 3 3HNZ LYS 3 6.184 1.597 12.256 37 3HZ LYS 3 1HNZ LYS 3 5.718 0.052 12.252 38 H TYR 4 HN TYR 4 2.106 -2.111 5.731 39 HA TYR 4 HA TYR 4 1.075 -4.882 5.968 40 1HB TYR 4 2HB TYR 4 0.021 -2.759 4.095 41 2HB TYR 4 3HB TYR 4 0.009 -4.422 3.568 42 HD1 TYR 4 HD2 TYR 4 -1.345 -2.176 6.260 43 HD2 TYR 4 HD1 TYR 4 -1.659 -5.894 4.136 44 HE1 TYR 4 HE2 TYR 4 -3.323 -2.767 7.586 45 HE2 TYR 4 HE1 TYR 4 -3.629 -6.523 5.509 46 HH TYR 4 HOH TYR 4 -5.005 -5.866 7.307 47 H THR 5 HN THR 5 2.223 -6.398 4.800 48 HA THR 5 HA THR 5 4.380 -5.554 2.963 49 HB THR 5 HB THR 5 3.402 -8.394 3.408 50 HG1 THR 5 HG1 THR 5 4.626 -8.467 5.242 51 1HG2 THR 5 1HG2 THR 5 6.161 -7.183 2.913 52 2HG2 THR 5 2HG2 THR 5 5.828 -8.905 3.185 53 3HG2 THR 5 3HG2 THR 5 5.209 -8.111 1.732 54 H CYS 6 HN CYN 6 4.464 -5.949 0.680 55 HA CYS 6 HA CYN 6 1.924 -6.142 -0.750 56 1HB CYS 6 2HB CYN 6 3.770 -4.615 -1.327 57 2HB CYS 6 3HB CYN 6 4.781 -6.000 -1.736 58 H THR 7 HN THR 7 3.186 -8.612 0.798 59 HA THR 7 HA THR 7 3.214 -10.824 0.590 60 HB THR 7 HB THR 7 1.672 -10.506 -2.030 61 HG1 THR 7 HG1 THR 7 0.490 -9.488 -0.563 62 1HG2 THR 7 3HG2 THR 7 1.849 -12.780 -0.022 63 2HG2 THR 7 1HG2 THR 7 0.775 -12.702 -1.434 64 3HG2 THR 7 2HG2 THR 7 2.525 -12.783 -1.668 65 H VAL 8 HN VAL 8 3.638 -9.827 -2.849 66 HA VAL 8 HA VAL 8 5.525 -12.011 -3.325 67 HB VAL 8 HB VAL 8 4.561 -9.671 -5.030 68 1HG1 VAL 8 1HG1 VAL 8 6.406 -11.979 -5.792 69 2HG1 VAL 8 2HG1 VAL 8 5.609 -10.886 -6.945 70 3HG1 VAL 8 3HG1 VAL 8 6.807 -10.247 -5.820 71 1HG2 VAL 8 1HG2 VAL 8 3.991 -12.668 -5.129 72 2HG2 VAL 8 2HG2 VAL 8 2.863 -11.416 -4.563 73 3HG2 VAL 8 3HG2 VAL 8 3.364 -11.452 -6.260 74 H CYS 9 HN CYN 9 5.791 -8.408 -3.514 75 HA CYS 9 HA CYN 9 8.683 -8.635 -2.864 76 1HB CYS 9 2HB CYN 9 8.722 -6.264 -3.588 77 2HB CYS 9 3HB CYN 9 8.316 -7.427 -4.852 78 H GLY 10 HN GLY 10 9.320 -6.677 -1.404 79 1HA GLY 10 2HA GLY 10 7.874 -7.016 1.107 80 2HA GLY 10 3HA GLY 10 9.264 -5.963 0.812 81 H TYR 11 HN TYR 11 8.848 -4.105 -0.630 82 HA TYR 11 HA TYR 11 8.163 -1.937 -0.125 83 1HB TYR 11 2HB TYR 11 6.315 -3.181 -2.167 84 2HB TYR 11 3HB TYR 11 6.270 -1.463 -1.797 85 HD1 TYR 11 HD1 TYR 11 8.237 0.015 -2.141 86 HD2 TYR 11 HD2 TYR 11 8.129 -4.041 -3.563 87 HE1 TYR 11 HE1 TYR 11 10.119 0.504 -3.661 88 HE2 TYR 11 HE2 TYR 11 10.017 -3.556 -5.100 89 HH TYR 11 HOH TYR 11 11.467 -0.303 -5.341 90 H ILE 12 HN ILE 12 7.683 -2.577 2.163 91 HA ILE 12 HA ILE 12 5.058 -3.119 2.912 92 HB ILE 12 HB ILE 12 7.486 -2.205 4.419 93 1HG1 ILE 12 2HG1 ILE 12 5.578 -4.577 4.682 94 2HG1 ILE 12 3HG1 ILE 12 6.968 -4.568 3.596 95 1HG2 ILE 12 1HG2 ILE 12 4.683 -2.364 5.617 96 2HG2 ILE 12 2HG2 ILE 12 6.177 -2.340 6.571 97 3HG2 ILE 12 3HG2 ILE 12 5.745 -0.939 5.621 98 1HD1 ILE 12 3HD1 ILE 12 8.493 -4.305 5.519 99 2HD1 ILE 12 1HD1 ILE 12 7.102 -4.387 6.630 100 3HD1 ILE 12 2HD1 ILE 12 7.501 -5.774 5.610 101 H TYR 13 HN TYR 13 3.314 -1.967 2.769 102 HA TYR 13 HA TYR 13 3.289 0.906 2.296 103 1HB TYR 13 2HB TYR 13 1.585 -0.593 1.369 104 2HB TYR 13 3HB TYR 13 1.122 -1.108 2.994 105 HD1 TYR 13 HD1 TYR 13 -0.149 0.416 4.496 106 HD2 TYR 13 HD2 TYR 13 0.706 1.440 0.433 107 HE1 TYR 13 HE1 TYR 13 -1.613 2.402 4.658 108 HE2 TYR 13 HE2 TYR 13 -0.231 3.733 0.809 109 HH TYR 13 HOH TYR 13 -2.280 4.415 3.687 110 H ASN 14 HN ASN 14 3.303 2.441 3.880 111 HA ASN 14 HA ASN 14 2.677 1.647 6.685 112 1HB ASN 14 2HB ASN 14 5.096 2.276 6.330 113 2HB ASN 14 3HB ASN 14 4.556 3.844 5.747 114 1HD2 ASN 14 2HND ASN 14 5.316 4.486 9.233 115 2HD2 ASN 14 1HND ASN 14 5.922 4.583 7.580 116 HA PRO 15 HA PRO 15 -0.606 4.388 5.486 117 1HB PRO 15 2HB PRO 15 -2.072 4.356 7.881 118 2HB PRO 15 3HB PRO 15 -2.229 3.136 6.606 119 1HG PRO 15 2HG PRO 15 -0.744 2.940 9.182 120 2HG PRO 15 3HG PRO 15 -1.535 1.671 8.201 121 1HD PRO 15 2HD PRO 15 1.177 2.144 8.352 122 2HD PRO 15 3HD PRO 15 0.441 1.236 7.029 123 H GLU 16 HN GLU 16 1.175 4.750 8.548 124 HA GLU 16 HA GLU 16 0.299 7.376 9.106 125 1HB GLU 16 2HB GLU 16 2.936 5.988 9.723 126 2HB GLU 16 3HB GLU 16 2.337 7.473 10.446 127 1HG GLU 16 2HG GLU 16 0.221 6.087 11.106 128 2HG GLU 16 3HG GLU 16 1.178 4.653 10.695 129 H ASP 17 HN ASP 17 2.611 6.103 6.823 130 HA ASP 17 HA ASP 17 3.749 8.790 6.149 131 1HB ASP 17 2HB ASP 17 4.283 5.971 5.169 132 2HB ASP 17 3HB ASP 17 5.080 7.406 4.516 133 H GLY 18 HN GLY 18 1.506 6.282 5.000 134 1HA GLY 18 2HA GLY 18 0.151 6.150 3.248 135 2HA GLY 18 3HA GLY 18 0.332 7.890 2.941 136 H ASP 19 HN ASP 19 0.430 7.384 0.694 137 HA ASP 19 HA ASP 19 3.167 6.998 -0.269 138 1HB ASP 19 2HB ASP 19 0.968 5.043 -0.794 139 2HB ASP 19 3HB ASP 19 1.743 5.624 -2.252 140 HA PRO 20 HA PRO 20 0.261 10.429 -1.565 141 1HB PRO 20 2HB PRO 20 1.946 12.587 -1.126 142 2HB PRO 20 3HB PRO 20 0.822 11.888 0.079 143 1HG PRO 20 2HG PRO 20 3.781 11.355 -0.247 144 2HG PRO 20 3HG PRO 20 2.874 11.644 1.268 145 1HD PRO 20 2HD PRO 20 3.540 9.143 0.481 146 2HD PRO 20 3HD PRO 20 1.948 9.460 1.222 147 H ASP 21 HN ASP 21 3.730 9.907 -2.383 148 HA ASP 21 HA ASP 21 3.868 11.440 -4.705 149 1HB ASP 21 2HB ASP 21 5.207 8.822 -3.854 150 2HB ASP 21 3HB ASP 21 5.736 9.838 -5.198 151 H ASN 22 HN ASN 22 2.403 8.345 -4.027 152 HA ASN 22 HA ASN 22 1.968 7.670 -6.880 153 1HB ASN 22 2HB ASN 22 1.265 6.112 -4.377 154 2HB ASN 22 3HB ASN 22 1.287 5.495 -6.025 155 1HD2 ASN 22 2HND ASN 22 4.702 5.681 -3.775 156 2HD2 ASN 22 1HND ASN 22 3.295 6.561 -3.295 157 H GLY 23 HN GLY 23 0.375 8.808 -4.044 158 1HA GLY 23 2HA GLY 23 -1.417 10.380 -4.739 159 2HA GLY 23 3HA GLY 23 -2.232 9.027 -5.528 160 H VAL 24 HN VAL 24 -0.703 8.217 -2.494 161 HA VAL 24 HA VAL 24 -3.396 8.039 -1.184 162 HB VAL 24 HB VAL 24 -0.878 6.383 -1.064 163 1HG1 VAL 24 3HG1 VAL 24 -3.399 6.164 0.595 164 2HG1 VAL 24 1HG1 VAL 24 -2.190 4.878 0.435 165 3HG1 VAL 24 2HG1 VAL 24 -1.736 6.416 1.191 166 1HG2 VAL 24 2HG2 VAL 24 -2.397 5.986 -3.017 167 2HG2 VAL 24 3HG2 VAL 24 -2.334 4.597 -1.917 168 3HG2 VAL 24 1HG2 VAL 24 -3.735 5.690 -1.891 169 H ASN 25 HN ASN 25 -3.642 9.594 0.309 170 HA ASN 25 HA ASN 25 -1.473 11.213 1.230 171 1HB ASN 25 2HB ASN 25 -4.411 10.926 1.961 172 2HB ASN 25 3HB ASN 25 -3.353 11.907 2.962 173 1HD2 ASN 25 2HND ASN 25 -4.070 13.197 -0.890 174 2HD2 ASN 25 1HND ASN 25 -4.247 11.495 -0.536 175 HA PRO 26 HA PRO 26 -0.174 8.967 4.881 176 1HB PRO 26 2HB PRO 26 0.198 11.012 6.728 177 2HB PRO 26 3HB PRO 26 1.376 10.486 5.506 178 1HG PRO 26 2HG PRO 26 -0.497 12.831 5.400 179 2HG PRO 26 3HG PRO 26 1.197 12.685 4.813 180 1HD PRO 26 2HD PRO 26 -1.013 12.551 3.158 181 2HD PRO 26 3HD PRO 26 0.506 11.674 2.814 182 H GLY 27 HN GLY 27 -1.016 8.206 6.718 183 1HA GLY 27 2HA GLY 27 -2.590 7.574 8.221 184 2HA GLY 27 3HA GLY 27 -3.409 9.141 8.049 185 H THR 28 HN THR 28 -2.869 7.189 5.039 186 HA THR 28 HA THR 28 -5.795 6.804 4.981 187 HB THR 28 HB THR 28 -3.585 6.328 2.940 188 HG1 THR 28 HG1 THR 28 -3.983 8.486 3.169 189 1HG2 THR 28 3HG2 THR 28 -6.606 6.054 2.801 190 2HG2 THR 28 1HG2 THR 28 -5.555 6.104 1.367 191 3HG2 THR 28 2HG2 THR 28 -5.376 4.791 2.547 192 H ASP 29 HN ASP 29 -6.600 4.994 5.728 193 HA ASP 29 HA ASP 29 -5.084 2.729 6.584 194 1HB ASP 29 2HB ASP 29 -7.488 3.451 7.208 195 2HB ASP 29 3HB ASP 29 -7.983 2.734 5.693 196 H PHE 30 HN PHE 30 -4.421 0.989 5.472 197 HA PHE 30 HA PHE 30 -4.227 0.727 2.714 198 1HB PHE 30 2HB PHE 30 -3.280 -0.700 4.700 199 2HB PHE 30 3HB PHE 30 -4.739 -1.669 4.523 200 HD1 PHE 30 HD2 PHE 30 -5.215 -2.582 2.052 201 HD2 PHE 30 HD1 PHE 30 -1.398 -1.167 3.431 202 HE1 PHE 30 HE2 PHE 30 -4.181 -3.275 -0.063 203 HE2 PHE 30 HE1 PHE 30 -0.340 -2.003 1.337 204 HZ PHE 30 HZ PHE 30 -1.755 -2.923 -0.455 205 H LYS 31 HN LYS 31 -7.120 0.015 4.806 206 HA LYS 31 HA LYS 31 -8.363 -1.470 2.612 207 1HB LYS 31 2HB LYS 31 -10.324 -1.574 3.858 208 2HB LYS 31 3HB LYS 31 -8.951 -1.854 4.950 209 1HG LYS 31 2HG LYS 31 -9.057 0.622 5.505 210 2HG LYS 31 3HG LYS 31 -10.534 0.714 4.574 211 1HD LYS 31 2HD LYS 31 -11.570 -0.981 6.012 212 2HD LYS 31 3HD LYS 31 -10.061 -1.088 6.961 213 1HE LYS 31 2HE LYS 31 -10.227 1.335 7.537 214 2HE LYS 31 3HE LYS 31 -11.686 1.495 6.554 215 1HZ LYS 31 3HNZ LYS 31 -11.435 -0.163 8.969 216 2HZ LYS 31 1HNZ LYS 31 -12.171 1.308 8.871 217 3HZ LYS 31 2HNZ LYS 31 -12.804 0.021 8.060 218 H ASP 32 HN ASP 32 -8.285 1.879 3.711 219 HA ASP 32 HA ASP 32 -10.454 2.829 2.063 220 1HB ASP 32 2HB ASP 32 -8.275 4.299 3.611 221 2HB ASP 32 3HB ASP 32 -9.678 5.050 2.859 222 H ILE 33 HN ILE 33 -6.997 2.200 1.511 223 HA ILE 33 HA ILE 33 -6.374 4.012 -0.429 224 HB ILE 33 HB ILE 33 -5.796 1.082 -0.259 225 1HG1 ILE 33 2HG1 ILE 33 -4.415 3.606 0.667 226 2HG1 ILE 33 3HG1 ILE 33 -4.999 2.363 1.700 227 1HG2 ILE 33 2HG2 ILE 33 -5.334 2.001 -2.507 228 2HG2 ILE 33 3HG2 ILE 33 -4.189 3.116 -1.712 229 3HG2 ILE 33 1HG2 ILE 33 -3.969 1.343 -1.604 230 1HD1 ILE 33 2HD1 ILE 33 -3.330 0.760 0.519 231 2HD1 ILE 33 3HD1 ILE 33 -2.559 2.262 -0.072 232 3HD1 ILE 33 1HD1 ILE 33 -2.714 1.948 1.662 233 HA PRO 34 HA PRO 34 -9.561 2.929 -3.443 234 1HB PRO 34 2HB PRO 34 -8.231 4.047 -5.709 235 2HB PRO 34 3HB PRO 34 -9.439 4.817 -4.664 236 1HG PRO 34 2HG PRO 34 -6.560 5.349 -4.813 237 2HG PRO 34 3HG PRO 34 -7.798 6.215 -3.862 238 1HD PRO 34 2HD PRO 34 -5.843 4.244 -2.930 239 2HD PRO 34 3HD PRO 34 -6.935 5.242 -1.969 240 H ASP 35 HN ASP 35 -9.889 1.113 -4.798 241 HA ASP 35 HA ASP 35 -7.864 -0.806 -5.157 242 1HB ASP 35 2HB ASP 35 -10.726 -0.345 -6.026 243 2HB ASP 35 3HB ASP 35 -9.765 -1.622 -6.733 244 H ASP 36 HN ASP 36 -8.525 2.049 -6.955 245 HA ASP 36 HA ASP 36 -7.385 1.290 -9.456 246 1HB ASP 36 2HB ASP 36 -8.506 3.601 -8.243 247 2HB ASP 36 3HB ASP 36 -6.989 4.001 -9.049 248 H TRP 37 HN TRP 37 -6.023 1.874 -6.320 249 HA TRP 37 HA TRP 37 -3.501 2.966 -7.290 250 1HB TRP 37 2HB TRP 37 -4.477 3.667 -5.143 251 2HB TRP 37 3HB TRP 37 -4.393 2.005 -4.581 252 HD1 TRP 37 HD TRP 37 -1.987 4.902 -5.353 253 HE1 TRP 37 HNE TRP 37 0.132 4.528 -3.948 254 HE3 TRP 37 HE TRP 37 -2.970 0.221 -3.710 255 HZ2 TRP 37 HZ1 TRP 37 1.260 2.431 -2.296 256 HZ3 TRP 37 HZ2 TRP 37 -1.321 -1.018 -2.276 257 HH2 TRP 37 HH TRP 37 0.798 0.085 -1.592 258 H VAL 38 HN VAL 38 -1.491 1.990 -7.094 259 HA VAL 38 HA VAL 38 -1.392 -0.984 -7.158 260 HB VAL 38 HB VAL 38 0.380 -0.502 -8.989 261 1HG1 VAL 38 1HG1 VAL 38 -2.602 -0.164 -9.513 262 2HG1 VAL 38 2HG1 VAL 38 -1.391 -0.400 -10.790 263 3HG1 VAL 38 3HG1 VAL 38 -1.639 -1.659 -9.579 264 1HG2 VAL 38 3HG2 VAL 38 0.402 2.000 -8.655 265 2HG2 VAL 38 1HG2 VAL 38 0.135 1.478 -10.327 266 3HG2 VAL 38 2HG2 VAL 38 -1.230 2.057 -9.365 267 H CYS 39 HN CYN 39 0.717 -1.889 -6.710 268 HA CYS 39 HA CYN 39 1.883 -0.694 -4.426 269 1HB CYS 39 2HB CYN 39 1.888 -3.003 -4.554 270 2HB CYS 39 3HB CYN 39 2.555 -3.029 -6.180 271 HA PRO 40 HA PRO 40 4.695 2.122 -6.427 272 1HB PRO 40 2HB PRO 40 6.418 2.720 -4.397 273 2HB PRO 40 3HB PRO 40 4.710 3.239 -4.408 274 1HG PRO 40 2HG PRO 40 5.863 0.814 -3.014 275 2HG PRO 40 3HG PRO 40 4.807 2.083 -2.320 276 1HD PRO 40 2HD PRO 40 3.792 -0.256 -3.217 277 2HD PRO 40 3HD PRO 40 2.926 1.278 -3.517 278 H LEU 41 HN LEU 41 5.514 0.666 -7.934 279 HA LEU 41 HA LEU 41 7.372 0.120 -9.175 280 1HB LEU 41 2HB LEU 41 9.067 -0.083 -6.665 281 2HB LEU 41 3HB LEU 41 9.605 -0.103 -8.329 282 HG LEU 41 HG LEU 41 8.303 2.286 -6.948 283 1HD1 LEU 41 1HD1 LEU 41 11.194 1.722 -7.719 284 2HD1 LEU 41 2HD1 LEU 41 10.574 3.244 -7.044 285 3HD1 LEU 41 3HD1 LEU 41 10.533 1.765 -6.071 286 1HD2 LEU 41 3HD2 LEU 41 9.562 1.969 -9.718 287 2HD2 LEU 41 1HD2 LEU 41 7.852 2.323 -9.375 288 3HD2 LEU 41 2HD2 LEU 41 9.094 3.519 -8.985 289 H CYS 42 HN CYN 42 5.548 -1.561 -8.960 290 HA CYS 42 HA CYN 42 6.828 -4.228 -8.677 291 1HB CYS 42 2HB CYN 42 5.891 -3.778 -6.558 292 2HB CYS 42 3HB CYN 42 4.421 -3.105 -7.284 293 H GLY 43 HN GLY 43 3.376 -3.744 -8.996 294 1HA GLY 43 2HA GLY 43 2.899 -3.153 -11.640 295 2HA GLY 43 3HA GLY 43 3.402 -4.856 -11.691 296 H VAL 44 HN VAL 44 2.364 -5.690 -9.158 297 HA VAL 44 HA VAL 44 -0.360 -6.188 -9.998 298 HB VAL 44 HB VAL 44 1.066 -6.951 -7.420 299 1HG1 VAL 44 2HG1 VAL 44 -1.508 -7.976 -8.715 300 2HG1 VAL 44 3HG1 VAL 44 -0.660 -8.792 -7.388 301 3HG1 VAL 44 1HG1 VAL 44 -1.348 -7.192 -7.129 302 1HG2 VAL 44 3HG2 VAL 44 0.680 -8.476 -10.042 303 2HG2 VAL 44 1HG2 VAL 44 2.228 -7.888 -9.399 304 3HG2 VAL 44 2HG2 VAL 44 1.351 -9.158 -8.548 305 H GLY 45 HN GLY 45 -2.281 -5.583 -8.900 306 1HA GLY 45 2HA GLY 45 -2.297 -2.866 -7.824 307 2HA GLY 45 3HA GLY 45 -3.679 -3.923 -8.131 308 H LYS 46 HN LYS 46 -3.877 -2.591 -5.813 309 HA LYS 46 HA LYS 46 -2.884 -4.186 -3.579 310 1HB LYS 46 2HB LYS 46 -4.365 -3.082 -2.217 311 2HB LYS 46 3HB LYS 46 -3.640 -1.892 -3.287 312 1HG LYS 46 2HG LYS 46 -5.753 -1.884 -4.644 313 2HG LYS 46 3HG LYS 46 -6.493 -2.982 -3.463 314 1HD LYS 46 2HD LYS 46 -5.581 -0.190 -2.891 315 2HD LYS 46 3HD LYS 46 -7.235 -0.780 -3.067 316 1HE LYS 46 2HE LYS 46 -6.247 -2.509 -1.109 317 2HE LYS 46 3HE LYS 46 -5.398 -1.017 -0.756 318 1HZ LYS 46 3HNZ LYS 46 -7.737 0.022 -0.917 319 2HZ LYS 46 1HNZ LYS 46 -8.313 -1.491 -0.787 320 3HZ LYS 46 2HNZ LYS 46 -7.348 -0.837 0.415 321 H ASP 47 HN ASP 47 -3.283 -6.375 -3.767 322 HA ASP 47 HA ASP 47 -6.156 -7.229 -3.727 323 1HB ASP 47 2HB ASP 47 -3.974 -8.301 -5.568 324 2HB ASP 47 3HB ASP 47 -5.285 -9.335 -4.981 325 H GLN 48 HN GLN 48 -2.899 -8.641 -3.612 326 HA GLN 48 HA GLN 48 -3.617 -10.085 -1.118 327 1HB GLN 48 2HB GLN 48 -2.571 -11.024 -3.460 328 2HB GLN 48 3HB GLN 48 -1.076 -10.625 -2.622 329 1HG GLN 48 2HG GLN 48 -1.480 -12.854 -2.096 330 2HG GLN 48 3HG GLN 48 -2.041 -12.015 -0.642 331 1HE2 GLN 48 2HNE GLN 48 -4.518 -14.630 -2.108 332 2HE2 GLN 48 1HNE GLN 48 -2.773 -14.718 -1.929 333 H PHE 49 HN PHE 49 -3.167 -8.815 0.653 334 HA PHE 49 HA PHE 49 -0.434 -7.737 0.918 335 1HB PHE 49 2HB PHE 49 -1.540 -5.612 1.895 336 2HB PHE 49 3HB PHE 49 -1.435 -5.781 0.166 337 HD1 PHE 49 HD2 PHE 49 -3.823 -5.865 3.016 338 HD2 PHE 49 HD1 PHE 49 -3.373 -6.106 -1.255 339 HE1 PHE 49 HE2 PHE 49 -6.221 -5.338 2.742 340 HE2 PHE 49 HE1 PHE 49 -5.811 -5.677 -1.525 341 HZ PHE 49 HZ PHE 49 -7.223 -5.242 0.463 342 H GLU 50 HN GLU 50 0.393 -8.105 2.913 343 HA GLU 50 HA GLU 50 -1.357 -9.545 4.888 344 1HB GLU 50 2HB GLU 50 1.660 -9.510 4.445 345 2HB GLU 50 3HB GLU 50 0.841 -10.397 5.721 346 1HG GLU 50 2HG GLU 50 -0.320 -11.793 4.048 347 2HG GLU 50 3HG GLU 50 0.417 -10.863 2.727 348 H GLU 51 HN GLU 51 -1.306 -8.753 7.163 349 HA GLU 51 HA GLU 51 -0.585 -5.964 7.379 350 1HB GLU 51 2HB GLU 51 -2.661 -6.772 8.352 351 2HB GLU 51 3HB GLU 51 -1.805 -8.034 9.265 352 1HG GLU 51 2HG GLU 51 -0.691 -6.481 10.577 353 2HG GLU 51 3HG GLU 51 -1.270 -5.070 9.658 354 H VAL 52 HN VAL 52 1.065 -5.121 8.592 355 HA VAL 52 HA VAL 52 3.224 -6.872 9.628 356 HB VAL 52 HB VAL 52 3.075 -4.176 8.225 357 1HG1 VAL 52 1HG1 VAL 52 5.452 -5.376 9.687 358 2HG1 VAL 52 2HG1 VAL 52 5.498 -3.948 8.619 359 3HG1 VAL 52 3HG1 VAL 52 4.575 -3.884 10.124 360 1HG2 VAL 52 1HG2 VAL 52 3.187 -6.167 6.823 361 2HG2 VAL 52 2HG2 VAL 52 4.577 -5.076 6.687 362 3HG2 VAL 52 3HG2 VAL 52 4.732 -6.606 7.593 363 H GLU 53 HN GLU 53 2.764 -7.030 11.802 364 HA GLU 53 HA GLU 53 1.344 -5.001 13.236 365 1HB GLU 53 2HB GLU 53 1.487 -6.576 15.021 366 2HB GLU 53 3HB GLU 53 0.831 -7.280 13.540 367 1HG GLU 53 2HG GLU 53 3.062 -8.410 13.157 368 2HG GLU 53 3HG GLU 53 3.636 -7.738 14.682 369 H GLU 54 HN GLU 54 3.350 -3.622 12.520 370 HA GLU 54 HA GLU 54 4.725 -2.883 14.990 371 1HB GLU 54 2HB GLU 54 7.012 -2.936 13.954 372 2HB GLU 54 3HB GLU 54 6.340 -4.535 14.301 373 1HG GLU 54 2HG GLU 54 5.789 -4.897 11.975 374 2HG GLU 54 3HG GLU 54 6.230 -3.221 11.562 No H/Q in entry = 374 Start of MODEL 13 1 1H MET 1 1HN MET 1 -6.108 -0.678 9.662 2 2H MET 1 2HN MET 1 -6.806 0.842 9.549 3 3H MET 1 3HN MET 1 -5.796 0.316 8.427 4 HA MET 1 HA MET 1 -5.102 0.881 11.254 5 1HB MET 1 2HB MET 1 -3.274 2.365 10.161 6 2HB MET 1 3HB MET 1 -4.134 2.096 8.656 7 1HG MET 1 2HG MET 1 -6.171 2.972 9.854 8 2HG MET 1 3HG MET 1 -5.165 3.421 11.213 9 1HE MET 1 2HE MET 1 -2.616 4.767 10.219 10 2HE MET 1 3HE MET 1 -3.132 6.443 9.930 11 3HE MET 1 1HE MET 1 -3.726 5.571 11.355 12 H LYS 2 HN LYS 2 -2.591 0.803 11.319 13 HA LYS 2 HA LYS 2 -0.675 -0.346 11.409 14 1HB LYS 2 2HB LYS 2 -2.171 -2.817 10.537 15 2HB LYS 2 3HB LYS 2 -0.658 -2.701 11.450 16 1HG LYS 2 2HG LYS 2 -2.023 -1.533 13.302 17 2HG LYS 2 3HG LYS 2 -3.475 -2.061 12.385 18 1HD LYS 2 2HD LYS 2 -2.197 -4.330 12.259 19 2HD LYS 2 3HD LYS 2 -1.272 -3.737 13.625 20 1HE LYS 2 2HE LYS 2 -4.339 -4.024 13.492 21 2HE LYS 2 3HE LYS 2 -3.270 -5.279 14.114 22 1HZ LYS 2 1HNZ LYS 2 -3.470 -2.568 15.241 23 2HZ LYS 2 2HNZ LYS 2 -4.152 -3.929 15.880 24 3HZ LYS 2 3HNZ LYS 2 -2.513 -3.787 15.800 25 H LYS 3 HN LYS 3 0.896 -1.748 10.146 26 HA LYS 3 HA LYS 3 1.051 -0.628 7.453 27 1HB LYS 3 2HB LYS 3 2.962 -2.348 9.078 28 2HB LYS 3 3HB LYS 3 3.330 -1.509 7.565 29 1HG LYS 3 2HG LYS 3 2.763 0.654 8.628 30 2HG LYS 3 3HG LYS 3 2.393 -0.158 10.126 31 1HD LYS 3 2HD LYS 3 4.807 -1.056 10.117 32 2HD LYS 3 3HD LYS 3 5.126 0.163 8.866 33 1HE LYS 3 2HE LYS 3 4.297 1.948 10.443 34 2HE LYS 3 3HE LYS 3 3.933 0.708 11.649 35 1HZ LYS 3 2HNZ LYS 3 6.262 0.183 11.744 36 2HZ LYS 3 3HNZ LYS 3 6.631 1.331 10.655 37 3HZ LYS 3 1HNZ LYS 3 6.003 1.751 12.122 38 H TYR 4 HN TYR 4 1.741 -2.094 5.715 39 HA TYR 4 HA TYR 4 0.697 -4.846 5.938 40 1HB TYR 4 2HB TYR 4 -0.390 -2.939 3.791 41 2HB TYR 4 3HB TYR 4 -0.362 -4.660 3.654 42 HD1 TYR 4 HD2 TYR 4 -1.575 -2.195 6.283 43 HD2 TYR 4 HD1 TYR 4 -2.342 -5.702 3.943 44 HE1 TYR 4 HE2 TYR 4 -3.396 -2.837 7.827 45 HE2 TYR 4 HE1 TYR 4 -4.308 -6.231 5.354 46 HH TYR 4 HOH TYR 4 -4.701 -4.918 8.478 47 H THR 5 HN THR 5 1.763 -6.331 4.644 48 HA THR 5 HA THR 5 4.107 -5.200 3.144 49 HB THR 5 HB THR 5 4.598 -6.929 4.814 50 HG1 THR 5 HG1 THR 5 6.130 -6.880 3.379 51 1HG2 THR 5 2HG2 THR 5 3.085 -8.793 2.934 52 2HG2 THR 5 3HG2 THR 5 4.123 -9.283 4.282 53 3HG2 THR 5 1HG2 THR 5 2.644 -8.368 4.609 54 H CYS 6 HN CYN 6 4.668 -6.186 1.108 55 HA CYS 6 HA CYN 6 2.372 -6.287 -0.759 56 1HB CYS 6 2HB CYN 6 4.215 -4.769 -1.260 57 2HB CYS 6 3HB CYN 6 5.370 -6.099 -1.185 58 H THR 7 HN THR 7 4.830 -8.060 -2.090 59 HA THR 7 HA THR 7 4.267 -10.622 -0.830 60 HB THR 7 HB THR 7 2.185 -10.161 -2.099 61 HG1 THR 7 HG1 THR 7 2.823 -12.262 -1.766 62 1HG2 THR 7 3HG2 THR 7 3.204 -8.903 -4.037 63 2HG2 THR 7 1HG2 THR 7 3.817 -10.468 -4.640 64 3HG2 THR 7 2HG2 THR 7 2.078 -10.194 -4.481 65 H VAL 8 HN VAL 8 5.572 -8.946 -3.737 66 HA VAL 8 HA VAL 8 7.777 -10.966 -3.813 67 HB VAL 8 HB VAL 8 6.736 -11.041 -5.834 68 1HG1 VAL 8 3HG1 VAL 8 5.301 -9.033 -5.816 69 2HG1 VAL 8 1HG1 VAL 8 6.709 -8.010 -6.160 70 3HG1 VAL 8 2HG1 VAL 8 6.181 -9.221 -7.326 71 1HG2 VAL 8 2HG2 VAL 8 9.233 -10.796 -5.913 72 2HG2 VAL 8 3HG2 VAL 8 8.409 -10.341 -7.416 73 3HG2 VAL 8 1HG2 VAL 8 9.015 -9.082 -6.331 74 H CYS 9 HN CYN 9 7.466 -7.419 -4.469 75 HA CYS 9 HA CYN 9 10.270 -6.982 -4.062 76 1HB CYS 9 2HB CYN 9 9.471 -4.572 -4.114 77 2HB CYS 9 3HB CYN 9 9.093 -5.568 -5.530 78 H GLY 10 HN GLY 10 7.387 -6.569 -2.065 79 1HA GLY 10 2HA GLY 10 7.240 -6.735 0.273 80 2HA GLY 10 3HA GLY 10 9.002 -6.749 0.402 81 H TYR 11 HN TYR 11 7.237 -4.293 -1.500 82 HA TYR 11 HA TYR 11 8.167 -2.104 0.156 83 1HB TYR 11 2HB TYR 11 6.258 -2.366 -2.163 84 2HB TYR 11 3HB TYR 11 6.249 -0.912 -1.176 85 HD1 TYR 11 HD1 TYR 11 8.313 0.465 -0.854 86 HD2 TYR 11 HD2 TYR 11 7.992 -2.588 -3.865 87 HE1 TYR 11 HE1 TYR 11 10.384 1.296 -1.917 88 HE2 TYR 11 HE2 TYR 11 10.127 -1.837 -4.867 89 HH TYR 11 HOH TYR 11 11.970 0.930 -3.531 90 H ILE 12 HN ILE 12 7.611 -2.834 2.223 91 HA ILE 12 HA ILE 12 4.999 -3.190 3.183 92 HB ILE 12 HB ILE 12 7.526 -2.178 4.483 93 1HG1 ILE 12 2HG1 ILE 12 5.810 -4.673 4.897 94 2HG1 ILE 12 3HG1 ILE 12 7.125 -4.593 3.726 95 1HG2 ILE 12 2HG2 ILE 12 4.794 -2.499 5.812 96 2HG2 ILE 12 3HG2 ILE 12 6.324 -2.378 6.701 97 3HG2 ILE 12 1HG2 ILE 12 5.770 -1.016 5.755 98 1HD1 ILE 12 1HD1 ILE 12 8.748 -4.148 5.523 99 2HD1 ILE 12 2HD1 ILE 12 7.452 -4.306 6.735 100 3HD1 ILE 12 3HD1 ILE 12 7.893 -5.690 5.726 101 H TYR 13 HN TYR 13 3.316 -1.968 2.917 102 HA TYR 13 HA TYR 13 3.444 0.916 2.424 103 1HB TYR 13 2HB TYR 13 1.776 -0.426 1.280 104 2HB TYR 13 3HB TYR 13 1.191 -1.089 2.808 105 HD1 TYR 13 HD2 TYR 13 -0.098 0.293 4.373 106 HD2 TYR 13 HD1 TYR 13 0.809 1.599 0.436 107 HE1 TYR 13 HE2 TYR 13 -1.572 2.269 4.695 108 HE2 TYR 13 HE1 TYR 13 -0.326 3.788 0.873 109 HH TYR 13 HOH TYR 13 -2.364 4.327 3.774 110 H ASN 14 HN ASN 14 3.208 2.446 4.002 111 HA ASN 14 HA ASN 14 2.465 1.602 6.763 112 1HB ASN 14 2HB ASN 14 4.908 2.140 6.542 113 2HB ASN 14 3HB ASN 14 4.474 3.727 5.923 114 1HD2 ASN 14 2HND ASN 14 5.126 4.338 9.445 115 2HD2 ASN 14 1HND ASN 14 5.794 4.398 7.820 116 HA PRO 15 HA PRO 15 -0.734 4.354 5.485 117 1HB PRO 15 2HB PRO 15 -2.278 4.383 7.839 118 2HB PRO 15 3HB PRO 15 -2.369 3.147 6.582 119 1HG PRO 15 2HG PRO 15 -0.878 3.101 9.201 120 2HG PRO 15 3HG PRO 15 -1.713 1.758 8.376 121 1HD PRO 15 2HD PRO 15 0.970 2.103 8.407 122 2HD PRO 15 3HD PRO 15 0.174 1.261 7.072 123 H GLU 16 HN GLU 16 0.938 4.832 8.582 124 HA GLU 16 HA GLU 16 0.070 7.504 8.984 125 1HB GLU 16 2HB GLU 16 2.621 6.076 9.812 126 2HB GLU 16 3HB GLU 16 2.034 7.623 10.417 127 1HG GLU 16 2HG GLU 16 -0.169 6.362 11.017 128 2HG GLU 16 3HG GLU 16 0.736 4.866 10.732 129 H ASP 17 HN ASP 17 2.454 6.068 6.879 130 HA ASP 17 HA ASP 17 3.681 8.689 6.136 131 1HB ASP 17 2HB ASP 17 4.186 5.833 5.270 132 2HB ASP 17 3HB ASP 17 5.063 7.230 4.649 133 H GLY 18 HN GLY 18 1.420 6.215 5.016 134 1HA GLY 18 2HA GLY 18 0.107 6.013 3.236 135 2HA GLY 18 3HA GLY 18 0.338 7.719 2.818 136 H ASP 19 HN ASP 19 0.547 7.135 0.620 137 HA ASP 19 HA ASP 19 3.293 6.596 -0.187 138 1HB ASP 19 2HB ASP 19 1.159 4.612 -0.615 139 2HB ASP 19 3HB ASP 19 1.814 5.137 -2.142 140 HA PRO 20 HA PRO 20 0.554 10.040 -1.780 141 1HB PRO 20 2HB PRO 20 2.324 12.149 -1.421 142 2HB PRO 20 3HB PRO 20 1.144 11.570 -0.206 143 1HG PRO 20 2HG PRO 20 4.081 10.888 -0.431 144 2HG PRO 20 3HG PRO 20 3.160 11.313 1.042 145 1HD PRO 20 2HD PRO 20 3.717 8.743 0.436 146 2HD PRO 20 3HD PRO 20 2.119 9.180 1.100 147 H ASP 21 HN ASP 21 4.039 9.405 -2.433 148 HA ASP 21 HA ASP 21 4.379 10.726 -4.818 149 1HB ASP 21 2HB ASP 21 5.448 8.017 -3.877 150 2HB ASP 21 3HB ASP 21 6.177 9.048 -5.111 151 H ASN 22 HN ASN 22 2.636 7.804 -4.089 152 HA ASN 22 HA ASN 22 2.294 6.998 -6.924 153 1HB ASN 22 2HB ASN 22 1.406 5.653 -4.363 154 2HB ASN 22 3HB ASN 22 1.444 4.912 -5.965 155 1HD2 ASN 22 2HND ASN 22 4.694 5.047 -3.469 156 2HD2 ASN 22 1HND ASN 22 3.338 6.070 -3.210 157 H GLY 23 HN GLY 23 0.636 8.249 -4.163 158 1HA GLY 23 2HA GLY 23 -1.093 9.859 -4.997 159 2HA GLY 23 3HA GLY 23 -1.923 8.475 -5.715 160 H VAL 24 HN VAL 24 -0.488 7.740 -2.621 161 HA VAL 24 HA VAL 24 -3.214 7.798 -1.370 162 HB VAL 24 HB VAL 24 -0.799 6.020 -1.012 163 1HG1 VAL 24 2HG1 VAL 24 -3.383 6.213 0.564 164 2HG1 VAL 24 3HG1 VAL 24 -2.356 4.770 0.554 165 3HG1 VAL 24 1HG1 VAL 24 -1.713 6.299 1.191 166 1HG2 VAL 24 3HG2 VAL 24 -2.355 5.607 -2.973 167 2HG2 VAL 24 1HG2 VAL 24 -2.309 4.274 -1.799 168 3HG2 VAL 24 2HG2 VAL 24 -3.683 5.401 -1.822 169 H ASN 25 HN ASN 25 -3.445 9.449 -0.004 170 HA ASN 25 HA ASN 25 -1.242 11.046 0.889 171 1HB ASN 25 2HB ASN 25 -4.215 10.919 1.522 172 2HB ASN 25 3HB ASN 25 -3.153 11.922 2.497 173 1HD2 ASN 25 2HND ASN 25 -3.541 12.973 -1.480 174 2HD2 ASN 25 1HND ASN 25 -3.633 11.278 -1.064 175 HA PRO 26 HA PRO 26 -0.141 8.967 4.692 176 1HB PRO 26 2HB PRO 26 0.207 11.135 6.429 177 2HB PRO 26 3HB PRO 26 1.420 10.442 5.335 178 1HG PRO 26 2HG PRO 26 -0.290 12.881 4.943 179 2HG PRO 26 3HG PRO 26 1.402 12.581 4.421 180 1HD PRO 26 2HD PRO 26 -0.766 12.458 2.723 181 2HD PRO 26 3HD PRO 26 0.707 11.471 2.491 182 H GLY 27 HN GLY 27 -1.104 8.249 6.496 183 1HA GLY 27 2HA GLY 27 -2.694 7.893 8.085 184 2HA GLY 27 3HA GLY 27 -3.464 9.446 7.715 185 H THR 28 HN THR 28 -2.927 7.207 4.924 186 HA THR 28 HA THR 28 -5.857 6.890 4.862 187 HB THR 28 HB THR 28 -3.663 6.185 2.876 188 HG1 THR 28 HG1 THR 28 -3.917 8.383 2.950 189 1HG2 THR 28 1HG2 THR 28 -6.707 6.129 2.729 190 2HG2 THR 28 2HG2 THR 28 -5.628 5.973 1.320 191 3HG2 THR 28 3HG2 THR 28 -5.583 4.754 2.610 192 H ASP 29 HN ASP 29 -6.646 5.203 5.835 193 HA ASP 29 HA ASP 29 -5.219 2.941 6.790 194 1HB ASP 29 2HB ASP 29 -7.575 3.789 7.395 195 2HB ASP 29 3HB ASP 29 -8.127 3.001 5.934 196 H PHE 30 HN PHE 30 -4.716 1.059 5.825 197 HA PHE 30 HA PHE 30 -4.469 0.640 3.078 198 1HB PHE 30 2HB PHE 30 -3.658 -0.733 5.187 199 2HB PHE 30 3HB PHE 30 -5.127 -1.673 4.935 200 HD1 PHE 30 HD1 PHE 30 -1.986 -0.470 3.542 201 HD2 PHE 30 HD2 PHE 30 -5.299 -3.086 2.809 202 HE1 PHE 30 HE1 PHE 30 -0.840 -1.307 1.502 203 HE2 PHE 30 HE2 PHE 30 -4.157 -3.948 0.782 204 HZ PHE 30 HZ PHE 30 -1.837 -3.119 0.240 205 H LYS 31 HN LYS 31 -7.373 0.202 5.187 206 HA LYS 31 HA LYS 31 -8.688 -1.421 3.158 207 1HB LYS 31 2HB LYS 31 -10.637 -1.301 4.449 208 2HB LYS 31 3HB LYS 31 -9.253 -1.513 5.542 209 1HG LYS 31 2HG LYS 31 -9.240 1.027 5.788 210 2HG LYS 31 3HG LYS 31 -10.742 1.036 4.881 211 1HD LYS 31 2HD LYS 31 -11.761 -0.445 6.609 212 2HD LYS 31 3HD LYS 31 -10.214 -0.454 7.471 213 1HE LYS 31 2HE LYS 31 -11.796 1.179 8.511 214 2HE LYS 31 3HE LYS 31 -10.329 1.953 7.903 215 1HZ LYS 31 2HNZ LYS 31 -11.555 2.668 5.946 216 2HZ LYS 31 3HNZ LYS 31 -12.923 1.985 6.503 217 3HZ LYS 31 1HNZ LYS 31 -12.204 3.244 7.296 218 H ASP 32 HN ASP 32 -8.384 2.007 3.854 219 HA ASP 32 HA ASP 32 -10.553 2.839 2.085 220 1HB ASP 32 2HB ASP 32 -8.529 4.350 3.798 221 2HB ASP 32 3HB ASP 32 -9.812 5.114 2.873 222 H ILE 33 HN ILE 33 -7.145 2.062 1.688 223 HA ILE 33 HA ILE 33 -6.386 3.844 -0.223 224 HB ILE 33 HB ILE 33 -5.896 0.926 0.037 225 1HG1 ILE 33 2HG1 ILE 33 -4.487 3.435 0.939 226 2HG1 ILE 33 3HG1 ILE 33 -5.152 2.227 1.961 227 1HG2 ILE 33 1HG2 ILE 33 -5.317 1.723 -2.241 228 2HG2 ILE 33 2HG2 ILE 33 -4.183 2.850 -1.448 229 3HG2 ILE 33 3HG2 ILE 33 -4.001 1.079 -1.257 230 1HD1 ILE 33 3HD1 ILE 33 -3.464 0.568 0.914 231 2HD1 ILE 33 1HD1 ILE 33 -2.633 2.025 0.301 232 3HD1 ILE 33 2HD1 ILE 33 -2.857 1.782 2.040 233 HA PRO 34 HA PRO 34 -9.430 2.988 -3.511 234 1HB PRO 34 2HB PRO 34 -7.246 3.713 -5.399 235 2HB PRO 34 3HB PRO 34 -8.849 4.470 -5.211 236 1HG PRO 34 2HG PRO 34 -6.564 5.719 -4.352 237 2HG PRO 34 3HG PRO 34 -8.130 5.865 -3.502 238 1HD PRO 34 2HD PRO 34 -5.781 4.097 -2.725 239 2HD PRO 34 3HD PRO 34 -6.886 5.077 -1.738 240 H ASP 35 HN ASP 35 -9.848 1.098 -4.773 241 HA ASP 35 HA ASP 35 -7.886 -1.039 -4.630 242 1HB ASP 35 2HB ASP 35 -10.765 -0.757 -5.117 243 2HB ASP 35 3HB ASP 35 -10.001 -1.777 -6.320 244 H ASP 36 HN ASP 36 -8.499 1.495 -6.871 245 HA ASP 36 HA ASP 36 -7.172 0.250 -9.131 246 1HB ASP 36 2HB ASP 36 -7.311 2.627 -9.979 247 2HB ASP 36 3HB ASP 36 -8.873 1.916 -9.548 248 H TRP 37 HN TRP 37 -6.064 1.467 -6.104 249 HA TRP 37 HA TRP 37 -3.637 2.706 -7.118 250 1HB TRP 37 2HB TRP 37 -4.563 3.307 -4.931 251 2HB TRP 37 3HB TRP 37 -4.390 1.638 -4.404 252 HD1 TRP 37 HD TRP 37 -2.077 4.595 -5.254 253 HE1 TRP 37 HNE TRP 37 0.092 4.262 -3.920 254 HE3 TRP 37 HE TRP 37 -2.890 -0.091 -3.606 255 HZ2 TRP 37 HZ1 TRP 37 1.310 2.204 -2.270 256 HZ3 TRP 37 HZ2 TRP 37 -1.235 -1.266 -2.104 257 HH2 TRP 37 HH TRP 37 0.866 -0.108 -1.457 258 H VAL 38 HN VAL 38 -1.537 1.836 -6.976 259 HA VAL 38 HA VAL 38 -1.261 -1.110 -7.035 260 HB VAL 38 HB VAL 38 0.415 -0.557 -8.920 261 1HG1 VAL 38 3HG1 VAL 38 -1.643 -1.840 -9.289 262 2HG1 VAL 38 1HG1 VAL 38 -2.581 -0.341 -9.446 263 3HG1 VAL 38 2HG1 VAL 38 -1.342 -0.751 -10.652 264 1HG2 VAL 38 3HG2 VAL 38 0.286 1.948 -8.652 265 2HG2 VAL 38 1HG2 VAL 38 -0.012 1.374 -10.302 266 3HG2 VAL 38 2HG2 VAL 38 -1.372 1.888 -9.295 267 H CYS 39 HN CYN 39 0.820 -1.878 -6.605 268 HA CYS 39 HA CYN 39 1.962 -0.476 -4.386 269 1HB CYS 39 2HB CYN 39 1.700 -2.727 -4.198 270 2HB CYS 39 3HB CYN 39 2.398 -3.105 -5.766 271 HA PRO 40 HA PRO 40 4.979 1.971 -6.454 272 1HB PRO 40 2HB PRO 40 7.020 2.094 -4.535 273 2HB PRO 40 3HB PRO 40 5.537 3.076 -4.528 274 1HG PRO 40 2HG PRO 40 6.063 0.505 -3.069 275 2HG PRO 40 3HG PRO 40 5.300 1.994 -2.428 276 1HD PRO 40 2HD PRO 40 3.815 -0.105 -3.174 277 2HD PRO 40 3HD PRO 40 3.286 1.541 -3.634 278 H LEU 41 HN LEU 41 6.336 1.443 -8.035 279 HA LEU 41 HA LEU 41 7.743 0.287 -9.378 280 1HB LEU 41 2HB LEU 41 9.286 -0.404 -6.852 281 2HB LEU 41 3HB LEU 41 9.893 -0.346 -8.506 282 HG LEU 41 HG LEU 41 9.030 2.003 -6.774 283 1HD1 LEU 41 2HD1 LEU 41 11.276 1.024 -6.361 284 2HD1 LEU 41 3HD1 LEU 41 11.691 1.257 -8.066 285 3HD1 LEU 41 1HD1 LEU 41 11.385 2.662 -7.025 286 1HD2 LEU 41 3HD2 LEU 41 9.859 1.985 -9.714 287 2HD2 LEU 41 1HD2 LEU 41 8.298 2.529 -9.055 288 3HD2 LEU 41 2HD2 LEU 41 9.769 3.437 -8.693 289 H CYS 42 HN CYN 42 5.417 -1.141 -8.471 290 HA CYS 42 HA CYN 42 6.383 -3.932 -8.863 291 1HB CYS 42 2HB CYN 42 5.684 -3.216 -6.501 292 2HB CYS 42 3HB CYN 42 4.049 -3.081 -7.177 293 H GLY 43 HN GLY 43 4.054 -5.147 -9.324 294 1HA GLY 43 2HA GLY 43 2.608 -3.617 -11.467 295 2HA GLY 43 3HA GLY 43 3.444 -5.128 -11.854 296 H VAL 44 HN VAL 44 1.522 -4.152 -8.955 297 HA VAL 44 HA VAL 44 -0.743 -5.764 -9.731 298 HB VAL 44 HB VAL 44 0.737 -7.524 -8.923 299 1HG1 VAL 44 2HG1 VAL 44 2.205 -6.242 -7.449 300 2HG1 VAL 44 3HG1 VAL 44 0.883 -5.996 -6.289 301 3HG1 VAL 44 1HG1 VAL 44 1.517 -7.626 -6.595 302 1HG2 VAL 44 2HG2 VAL 44 -1.715 -7.678 -8.442 303 2HG2 VAL 44 3HG2 VAL 44 -0.682 -8.591 -7.330 304 3HG2 VAL 44 1HG2 VAL 44 -1.390 -7.060 -6.805 305 H GLY 45 HN GLY 45 -2.502 -5.530 -8.131 306 1HA GLY 45 2HA GLY 45 -2.649 -2.774 -7.182 307 2HA GLY 45 3HA GLY 45 -3.922 -3.990 -7.222 308 H LYS 46 HN LYS 46 -3.907 -2.640 -4.997 309 HA LYS 46 HA LYS 46 -2.389 -3.702 -2.806 310 1HB LYS 46 2HB LYS 46 -4.237 -2.911 -1.416 311 2HB LYS 46 3HB LYS 46 -3.726 -1.678 -2.545 312 1HG LYS 46 2HG LYS 46 -5.661 -2.261 -4.060 313 2HG LYS 46 3HG LYS 46 -6.194 -3.463 -2.876 314 1HD LYS 46 2HD LYS 46 -6.028 -0.457 -2.535 315 2HD LYS 46 3HD LYS 46 -7.457 -1.483 -2.620 316 1HE LYS 46 2HE LYS 46 -6.359 -2.683 -0.495 317 2HE LYS 46 3HE LYS 46 -5.531 -1.156 -0.353 318 1HZ LYS 46 3HNZ LYS 46 -7.850 -0.118 -0.595 319 2HZ LYS 46 1HNZ LYS 46 -8.469 -1.611 -0.386 320 3HZ LYS 46 2HNZ LYS 46 -7.545 -0.904 0.817 321 H ASP 47 HN ASP 47 -4.746 -5.219 -4.795 322 HA ASP 47 HA ASP 47 -6.464 -6.655 -4.435 323 1HB ASP 47 2HB ASP 47 -3.809 -8.095 -4.068 324 2HB ASP 47 3HB ASP 47 -5.338 -8.868 -4.538 325 H GLN 48 HN GLN 48 -4.459 -8.355 -2.154 326 HA GLN 48 HA GLN 48 -5.746 -7.256 0.194 327 1HB GLN 48 2HB GLN 48 -6.485 -9.993 -0.772 328 2HB GLN 48 3HB GLN 48 -6.133 -9.850 0.945 329 1HG GLN 48 2HG GLN 48 -7.995 -7.740 -0.049 330 2HG GLN 48 3HG GLN 48 -8.581 -9.391 -0.188 331 1HE2 GLN 48 2HNE GLN 48 -8.073 -7.741 3.538 332 2HE2 GLN 48 1HNE GLN 48 -7.352 -6.954 2.145 333 H PHE 49 HN PHE 49 -3.478 -6.593 -0.243 334 HA PHE 49 HA PHE 49 -1.174 -8.034 0.437 335 1HB PHE 49 2HB PHE 49 -2.169 -5.239 1.036 336 2HB PHE 49 3HB PHE 49 -0.635 -5.644 1.581 337 HD1 PHE 49 HD2 PHE 49 -1.635 -7.104 -1.708 338 HD2 PHE 49 HD1 PHE 49 0.528 -3.969 0.353 339 HE1 PHE 49 HE2 PHE 49 -0.339 -6.654 -3.731 340 HE2 PHE 49 HE1 PHE 49 1.778 -3.498 -1.731 341 HZ PHE 49 HZ PHE 49 1.421 -4.921 -3.732 342 H GLU 50 HN GLU 50 0.028 -8.107 2.619 343 HA GLU 50 HA GLU 50 -1.932 -9.331 4.532 344 1HB GLU 50 2HB GLU 50 1.023 -9.791 3.983 345 2HB GLU 50 3HB GLU 50 0.248 -10.306 5.479 346 1HG GLU 50 2HG GLU 50 -1.399 -11.631 4.109 347 2HG GLU 50 3HG GLU 50 -0.484 -11.187 2.654 348 H GLU 51 HN GLU 51 -1.741 -8.749 6.841 349 HA GLU 51 HA GLU 51 -1.022 -5.974 7.186 350 1HB GLU 51 2HB GLU 51 -3.064 -6.878 8.114 351 2HB GLU 51 3HB GLU 51 -2.180 -8.153 8.976 352 1HG GLU 51 2HG GLU 51 -1.199 -6.730 10.428 353 2HG GLU 51 3HG GLU 51 -1.530 -5.246 9.505 354 H VAL 52 HN VAL 52 0.660 -5.210 8.510 355 HA VAL 52 HA VAL 52 2.835 -7.098 9.215 356 HB VAL 52 HB VAL 52 2.702 -4.248 8.152 357 1HG1 VAL 52 3HG1 VAL 52 5.040 -5.521 9.635 358 2HG1 VAL 52 1HG1 VAL 52 5.112 -4.022 8.669 359 3HG1 VAL 52 2HG1 VAL 52 4.105 -4.086 10.123 360 1HG2 VAL 52 1HG2 VAL 52 2.937 -6.188 6.632 361 2HG2 VAL 52 2HG2 VAL 52 4.252 -4.990 6.579 362 3HG2 VAL 52 3HG2 VAL 52 4.494 -6.556 7.399 363 H GLU 53 HN GLU 53 2.557 -7.574 11.312 364 HA GLU 53 HA GLU 53 1.189 -5.928 13.167 365 1HB GLU 53 2HB GLU 53 1.754 -7.706 14.699 366 2HB GLU 53 3HB GLU 53 0.992 -8.289 13.219 367 1HG GLU 53 2HG GLU 53 3.291 -9.019 12.407 368 2HG GLU 53 3HG GLU 53 3.942 -8.528 13.970 369 H GLU 54 HN GLU 54 2.804 -4.211 12.487 370 HA GLU 54 HA GLU 54 4.833 -3.789 14.655 371 1HB GLU 54 2HB GLU 54 4.083 -2.009 12.307 372 2HB GLU 54 3HB GLU 54 5.195 -1.600 13.619 373 1HG GLU 54 2HG GLU 54 6.148 -4.083 12.580 374 2HG GLU 54 3HG GLU 54 5.745 -3.094 11.173 No H/Q in entry = 374 Start of MODEL 14 1 1H MET 1 1HN MET 1 -6.150 -0.722 9.379 2 2H MET 1 2HN MET 1 -6.943 0.752 9.305 3 3H MET 1 3HN MET 1 -5.886 0.317 8.177 4 HA MET 1 HA MET 1 -5.273 0.851 11.027 5 1HB MET 1 2HB MET 1 -3.506 2.438 10.068 6 2HB MET 1 3HB MET 1 -4.245 2.164 8.491 7 1HG MET 1 2HG MET 1 -6.335 2.984 9.405 8 2HG MET 1 3HG MET 1 -5.628 3.285 10.981 9 1HE MET 1 2HE MET 1 -2.962 4.716 10.680 10 2HE MET 1 3HE MET 1 -3.444 6.416 10.494 11 3HE MET 1 1HE MET 1 -4.301 5.380 11.651 12 H LYS 2 HN LYS 2 -2.733 0.919 11.078 13 HA LYS 2 HA LYS 2 -0.831 -0.223 11.281 14 1HB LYS 2 2HB LYS 2 -2.294 -2.692 10.379 15 2HB LYS 2 3HB LYS 2 -0.789 -2.596 11.298 16 1HG LYS 2 2HG LYS 2 -1.984 -1.528 13.193 17 2HG LYS 2 3HG LYS 2 -3.534 -1.680 12.306 18 1HD LYS 2 2HD LYS 2 -3.109 -4.044 11.925 19 2HD LYS 2 3HD LYS 2 -1.648 -3.983 12.911 20 1HE LYS 2 2HE LYS 2 -4.557 -3.513 13.804 21 2HE LYS 2 3HE LYS 2 -3.622 -4.990 14.074 22 1HZ LYS 2 2HNZ LYS 2 -2.104 -3.739 15.431 23 2HZ LYS 2 3HNZ LYS 2 -2.946 -2.347 15.187 24 3HZ LYS 2 1HNZ LYS 2 -3.637 -3.592 16.014 25 H LYS 3 HN LYS 3 0.858 -1.508 10.132 26 HA LYS 3 HA LYS 3 1.049 -0.525 7.370 27 1HB LYS 3 2HB LYS 3 2.987 -2.019 9.174 28 2HB LYS 3 3HB LYS 3 3.339 -1.380 7.563 29 1HG LYS 3 2HG LYS 3 2.741 0.904 8.369 30 2HG LYS 3 3HG LYS 3 2.344 0.261 9.920 31 1HD LYS 3 2HD LYS 3 4.466 1.244 10.151 32 2HD LYS 3 3HD LYS 3 4.650 -0.512 10.286 33 1HE LYS 3 2HE LYS 3 5.454 -0.577 7.913 34 2HE LYS 3 3HE LYS 3 5.244 1.176 7.817 35 1HZ LYS 3 3HNZ LYS 3 6.854 1.408 9.571 36 2HZ LYS 3 1HNZ LYS 3 7.099 -0.222 9.605 37 3HZ LYS 3 2HNZ LYS 3 7.498 0.647 8.260 38 H TYR 4 HN TYR 4 1.856 -2.012 5.700 39 HA TYR 4 HA TYR 4 1.038 -4.817 6.041 40 1HB TYR 4 2HB TYR 4 -0.237 -2.999 3.940 41 2HB TYR 4 3HB TYR 4 -0.119 -4.716 3.753 42 HD1 TYR 4 HD1 TYR 4 -1.501 -2.279 6.294 43 HD2 TYR 4 HD2 TYR 4 -1.941 -5.985 4.187 44 HE1 TYR 4 HE1 TYR 4 -3.377 -2.924 7.778 45 HE2 TYR 4 HE2 TYR 4 -3.956 -6.522 5.510 46 HH TYR 4 HOH TYR 4 -5.157 -5.926 7.488 47 H THR 5 HN THR 5 2.061 -6.242 4.626 48 HA THR 5 HA THR 5 4.231 -5.041 2.933 49 HB THR 5 HB THR 5 4.980 -6.555 4.685 50 HG1 THR 5 HG1 THR 5 6.271 -7.785 3.236 51 1HG2 THR 5 3HG2 THR 5 3.522 -8.730 3.140 52 2HG2 THR 5 1HG2 THR 5 4.659 -8.974 4.477 53 3HG2 THR 5 2HG2 THR 5 3.131 -8.138 4.780 54 H CYS 6 HN CYN 6 4.572 -5.502 0.824 55 HA CYS 6 HA CYN 6 2.282 -6.321 -0.791 56 1HB CYS 6 2HB CYN 6 3.593 -4.339 -1.389 57 2HB CYS 6 3HB CYN 6 5.035 -5.335 -1.560 58 H THR 7 HN THR 7 1.964 -8.296 -1.419 59 HA THR 7 HA THR 7 3.156 -10.544 -0.683 60 HB THR 7 HB THR 7 1.683 -10.008 -3.305 61 HG1 THR 7 HG1 THR 7 0.738 -10.426 -0.670 62 1HG2 THR 7 3HG2 THR 7 1.843 -12.510 -1.562 63 2HG2 THR 7 1HG2 THR 7 0.680 -12.251 -2.881 64 3HG2 THR 7 2HG2 THR 7 2.413 -12.335 -3.239 65 H VAL 8 HN VAL 8 3.608 -9.570 -4.161 66 HA VAL 8 HA VAL 8 5.918 -11.458 -4.184 67 HB VAL 8 HB VAL 8 3.994 -12.016 -5.528 68 1HG1 VAL 8 3HG1 VAL 8 3.128 -9.789 -6.155 69 2HG1 VAL 8 1HG1 VAL 8 4.523 -9.541 -7.222 70 3HG1 VAL 8 2HG1 VAL 8 3.371 -10.841 -7.551 71 1HG2 VAL 8 1HG2 VAL 8 6.265 -12.746 -6.180 72 2HG2 VAL 8 2HG2 VAL 8 5.137 -12.622 -7.538 73 3HG2 VAL 8 3HG2 VAL 8 6.371 -11.379 -7.307 74 H CYS 9 HN CYN 9 6.578 -9.206 -2.965 75 HA CYS 9 HA CYN 9 8.186 -7.566 -4.859 76 1HB CYS 9 2HB CYN 9 5.778 -6.894 -4.973 77 2HB CYS 9 3HB CYN 9 5.865 -6.630 -3.227 78 H GLY 10 HN GLY 10 6.729 -7.458 -1.518 79 1HA GLY 10 2HA GLY 10 7.928 -7.703 0.466 80 2HA GLY 10 3HA GLY 10 9.460 -7.367 -0.341 81 H TYR 11 HN TYR 11 7.674 -4.933 -1.630 82 HA TYR 11 HA TYR 11 8.617 -2.942 0.208 83 1HB TYR 11 2HB TYR 11 6.781 -2.960 -2.178 84 2HB TYR 11 3HB TYR 11 6.595 -1.636 -1.048 85 HD1 TYR 11 HD1 TYR 11 8.803 -0.448 -0.224 86 HD2 TYR 11 HD2 TYR 11 8.271 -2.495 -3.981 87 HE1 TYR 11 HE1 TYR 11 10.501 1.021 -1.275 88 HE2 TYR 11 HE2 TYR 11 9.959 -1.046 -5.014 89 HH TYR 11 HOH TYR 11 11.280 0.814 -4.750 90 H ILE 12 HN ILE 12 7.554 -1.774 1.823 91 HA ILE 12 HA ILE 12 5.056 -3.010 2.871 92 HB ILE 12 HB ILE 12 7.561 -2.096 4.252 93 1HG1 ILE 12 2HG1 ILE 12 5.617 -4.377 4.759 94 2HG1 ILE 12 3HG1 ILE 12 6.920 -4.508 3.576 95 1HG2 ILE 12 3HG2 ILE 12 4.772 -2.152 5.505 96 2HG2 ILE 12 1HG2 ILE 12 6.290 -2.119 6.419 97 3HG2 ILE 12 2HG2 ILE 12 5.859 -0.750 5.405 98 1HD1 ILE 12 2HD1 ILE 12 7.326 -4.072 6.564 99 2HD1 ILE 12 3HD1 ILE 12 7.554 -5.572 5.659 100 3HD1 ILE 12 1HD1 ILE 12 8.604 -4.181 5.327 101 H TYR 13 HN TYR 13 3.354 -1.825 2.870 102 HA TYR 13 HA TYR 13 3.451 1.065 2.232 103 1HB TYR 13 2HB TYR 13 1.783 -0.259 1.072 104 2HB TYR 13 3HB TYR 13 1.254 -0.982 2.592 105 HD1 TYR 13 HD2 TYR 13 1.116 2.069 0.508 106 HD2 TYR 13 HD1 TYR 13 -0.258 0.129 4.020 107 HE1 TYR 13 HE2 TYR 13 -0.179 4.118 1.097 108 HE2 TYR 13 HE1 TYR 13 -1.704 2.121 4.585 109 HH TYR 13 HOH TYR 13 -2.482 4.334 3.806 110 H ASN 14 HN ASN 14 2.913 2.614 3.749 111 HA ASN 14 HA ASN 14 2.316 1.752 6.534 112 1HB ASN 14 2HB ASN 14 4.708 2.518 6.223 113 2HB ASN 14 3HB ASN 14 4.106 4.050 5.652 114 1HD2 ASN 14 2HND ASN 14 4.808 4.415 9.309 115 2HD2 ASN 14 1HND ASN 14 5.573 4.579 7.746 116 HA PRO 15 HA PRO 15 -0.979 4.501 5.495 117 1HB PRO 15 2HB PRO 15 -2.469 4.350 7.840 118 2HB PRO 15 3HB PRO 15 -2.539 3.137 6.545 119 1HG PRO 15 2HG PRO 15 -1.004 3.032 9.135 120 2HG PRO 15 3HG PRO 15 -1.829 1.717 8.256 121 1HD PRO 15 2HD PRO 15 0.858 2.150 8.246 122 2HD PRO 15 3HD PRO 15 0.051 1.305 6.913 123 H GLU 16 HN GLU 16 0.817 4.794 8.602 124 HA GLU 16 HA GLU 16 -0.199 7.410 9.133 125 1HB GLU 16 2HB GLU 16 2.380 6.035 9.968 126 2HB GLU 16 3HB GLU 16 1.781 7.574 10.562 127 1HG GLU 16 2HG GLU 16 -0.464 6.011 10.934 128 2HG GLU 16 3HG GLU 16 0.806 4.797 11.146 129 H ASP 17 HN ASP 17 2.239 6.181 6.985 130 HA ASP 17 HA ASP 17 3.346 8.894 6.381 131 1HB ASP 17 2HB ASP 17 4.034 6.129 5.386 132 2HB ASP 17 3HB ASP 17 4.829 7.605 4.859 133 H GLY 18 HN GLY 18 1.212 6.352 5.133 134 1HA GLY 18 2HA GLY 18 -0.051 6.141 3.328 135 2HA GLY 18 3HA GLY 18 0.130 7.855 2.949 136 H ASP 19 HN ASP 19 0.405 7.223 0.738 137 HA ASP 19 HA ASP 19 3.194 6.820 0.013 138 1HB ASP 19 2HB ASP 19 1.189 4.725 -0.509 139 2HB ASP 19 3HB ASP 19 1.876 5.307 -1.998 140 HA PRO 20 HA PRO 20 0.414 10.154 -1.698 141 1HB PRO 20 2HB PRO 20 2.124 12.306 -1.296 142 2HB PRO 20 3HB PRO 20 0.886 11.729 -0.137 143 1HG PRO 20 2HG PRO 20 3.846 11.121 -0.176 144 2HG PRO 20 3HG PRO 20 2.821 11.520 1.234 145 1HD PRO 20 2HD PRO 20 3.512 8.968 0.662 146 2HD PRO 20 3HD PRO 20 1.873 9.350 1.258 147 H ASP 21 HN ASP 21 3.922 9.533 -2.221 148 HA ASP 21 HA ASP 21 4.320 10.861 -4.605 149 1HB ASP 21 2HB ASP 21 5.397 8.201 -3.536 150 2HB ASP 21 3HB ASP 21 6.119 9.136 -4.848 151 H ASN 22 HN ASN 22 2.621 7.897 -3.887 152 HA ASN 22 HA ASN 22 2.359 7.089 -6.731 153 1HB ASN 22 2HB ASN 22 1.433 5.711 -4.199 154 2HB ASN 22 3HB ASN 22 1.482 5.014 -5.813 155 1HD2 ASN 22 2HND ASN 22 4.776 5.131 -3.361 156 2HD2 ASN 22 1HND ASN 22 3.430 6.171 -3.072 157 H GLY 23 HN GLY 23 0.617 8.328 -4.021 158 1HA GLY 23 2HA GLY 23 -1.101 9.927 -4.900 159 2HA GLY 23 3HA GLY 23 -1.899 8.539 -5.649 160 H VAL 24 HN VAL 24 -0.536 7.900 -2.485 161 HA VAL 24 HA VAL 24 -3.298 7.878 -1.311 162 HB VAL 24 HB VAL 24 -0.859 6.128 -0.994 163 1HG1 VAL 24 3HG1 VAL 24 -3.373 6.257 0.685 164 2HG1 VAL 24 1HG1 VAL 24 -2.324 4.830 0.605 165 3HG1 VAL 24 2HG1 VAL 24 -1.682 6.353 1.248 166 1HG2 VAL 24 2HG2 VAL 24 -2.532 5.741 -2.888 167 2HG2 VAL 24 3HG2 VAL 24 -2.405 4.383 -1.743 168 3HG2 VAL 24 1HG2 VAL 24 -3.784 5.499 -1.667 169 H ASN 25 HN ASN 25 -3.586 9.500 0.056 170 HA ASN 25 HA ASN 25 -1.441 11.111 1.057 171 1HB ASN 25 2HB ASN 25 -4.434 10.935 1.565 172 2HB ASN 25 3HB ASN 25 -3.434 11.929 2.611 173 1HD2 ASN 25 2HND ASN 25 -3.727 13.059 -1.349 174 2HD2 ASN 25 1HND ASN 25 -3.915 11.368 -0.952 175 HA PRO 26 HA PRO 26 -0.433 9.021 4.860 176 1HB PRO 26 2HB PRO 26 -0.184 11.146 6.654 177 2HB PRO 26 3HB PRO 26 1.070 10.549 5.552 178 1HG PRO 26 2HG PRO 26 -0.756 12.911 5.209 179 2HG PRO 26 3HG PRO 26 0.959 12.722 4.711 180 1HD PRO 26 2HD PRO 26 -1.153 12.539 2.965 181 2HD PRO 26 3HD PRO 26 0.372 11.635 2.739 182 H GLY 27 HN GLY 27 -1.397 8.264 6.641 183 1HA GLY 27 2HA GLY 27 -3.022 7.779 8.160 184 2HA GLY 27 3HA GLY 27 -3.824 9.328 7.835 185 H THR 28 HN THR 28 -3.157 7.197 4.983 186 HA THR 28 HA THR 28 -6.071 6.818 4.818 187 HB THR 28 HB THR 28 -3.787 6.200 2.909 188 HG1 THR 28 HG1 THR 28 -4.115 8.390 3.000 189 1HG2 THR 28 1HG2 THR 28 -6.822 6.062 2.639 190 2HG2 THR 28 2HG2 THR 28 -5.686 5.962 1.268 191 3HG2 THR 28 3HG2 THR 28 -5.657 4.721 2.537 192 H ASP 29 HN ASP 29 -6.861 5.093 5.722 193 HA ASP 29 HA ASP 29 -5.427 2.831 6.664 194 1HB ASP 29 2HB ASP 29 -7.808 3.626 7.223 195 2HB ASP 29 3HB ASP 29 -8.312 2.882 5.724 196 H PHE 30 HN PHE 30 -4.820 1.016 5.672 197 HA PHE 30 HA PHE 30 -4.478 0.577 2.963 198 1HB PHE 30 2HB PHE 30 -3.836 -0.804 5.133 199 2HB PHE 30 3HB PHE 30 -5.309 -1.710 4.810 200 HD1 PHE 30 HD2 PHE 30 -5.477 -2.914 2.458 201 HD2 PHE 30 HD1 PHE 30 -1.915 -1.046 3.945 202 HE1 PHE 30 HE2 PHE 30 -4.161 -3.890 0.590 203 HE2 PHE 30 HE1 PHE 30 -0.679 -1.761 1.907 204 HZ PHE 30 HZ PHE 30 -1.702 -3.351 0.444 205 H LYS 31 HN LYS 31 -7.471 0.084 4.942 206 HA LYS 31 HA LYS 31 -8.677 -1.536 2.834 207 1HB LYS 31 2HB LYS 31 -10.637 -1.532 4.134 208 2HB LYS 31 3HB LYS 31 -9.243 -1.709 5.223 209 1HG LYS 31 2HG LYS 31 -9.346 0.877 5.446 210 2HG LYS 31 3HG LYS 31 -10.878 0.755 4.618 211 1HD LYS 31 2HD LYS 31 -11.634 -0.821 6.454 212 2HD LYS 31 3HD LYS 31 -10.045 -0.612 7.207 213 1HE LYS 31 2HE LYS 31 -11.744 0.857 8.305 214 2HE LYS 31 3HE LYS 31 -10.429 1.786 7.575 215 1HZ LYS 31 2HNZ LYS 31 -13.041 1.421 6.285 216 2HZ LYS 31 3HNZ LYS 31 -12.528 2.774 7.085 217 3HZ LYS 31 1HNZ LYS 31 -11.792 2.318 5.721 218 H ASP 32 HN ASP 32 -8.487 1.873 3.656 219 HA ASP 32 HA ASP 32 -10.660 2.740 1.912 220 1HB ASP 32 2HB ASP 32 -8.627 4.221 3.644 221 2HB ASP 32 3HB ASP 32 -9.905 5.000 2.729 222 H ILE 33 HN ILE 33 -7.211 2.041 1.563 223 HA ILE 33 HA ILE 33 -6.455 3.838 -0.327 224 HB ILE 33 HB ILE 33 -5.914 0.918 -0.095 225 1HG1 ILE 33 2HG1 ILE 33 -4.568 3.443 0.878 226 2HG1 ILE 33 3HG1 ILE 33 -5.203 2.204 1.878 227 1HG2 ILE 33 3HG2 ILE 33 -5.314 1.720 -2.331 228 2HG2 ILE 33 1HG2 ILE 33 -4.226 2.891 -1.529 229 3HG2 ILE 33 2HG2 ILE 33 -3.991 1.127 -1.333 230 1HD1 ILE 33 1HD1 ILE 33 -3.460 0.613 0.844 231 2HD1 ILE 33 2HD1 ILE 33 -2.673 2.102 0.236 232 3HD1 ILE 33 3HD1 ILE 33 -2.914 1.858 1.971 233 HA PRO 34 HA PRO 34 -9.381 2.898 -3.703 234 1HB PRO 34 2HB PRO 34 -7.260 3.729 -5.592 235 2HB PRO 34 3HB PRO 34 -8.851 4.477 -5.310 236 1HG PRO 34 2HG PRO 34 -6.448 5.621 -4.519 237 2HG PRO 34 3HG PRO 34 -8.013 5.902 -3.703 238 1HD PRO 34 2HD PRO 34 -5.763 4.093 -2.815 239 2HD PRO 34 3HD PRO 34 -6.905 5.072 -1.871 240 H ASP 35 HN ASP 35 -9.689 0.961 -4.997 241 HA ASP 35 HA ASP 35 -7.684 -1.083 -4.971 242 1HB ASP 35 2HB ASP 35 -10.461 -0.624 -6.124 243 2HB ASP 35 3HB ASP 35 -9.478 -1.960 -6.644 244 H ASP 36 HN ASP 36 -8.243 1.665 -7.051 245 HA ASP 36 HA ASP 36 -6.772 0.567 -9.320 246 1HB ASP 36 2HB ASP 36 -7.091 2.921 -10.135 247 2HB ASP 36 3HB ASP 36 -8.598 2.073 -9.763 248 H TRP 37 HN TRP 37 -5.836 1.660 -6.228 249 HA TRP 37 HA TRP 37 -3.459 3.141 -7.046 250 1HB TRP 37 2HB TRP 37 -4.435 3.464 -4.845 251 2HB TRP 37 3HB TRP 37 -4.266 1.745 -4.496 252 HD1 TRP 37 HD TRP 37 -1.923 4.754 -4.993 253 HE1 TRP 37 HNE TRP 37 0.159 4.354 -3.532 254 HE3 TRP 37 HE TRP 37 -2.853 -0.006 -3.591 255 HZ2 TRP 37 HZ1 TRP 37 1.288 2.204 -1.955 256 HZ3 TRP 37 HZ2 TRP 37 -1.270 -1.259 -2.092 257 HH2 TRP 37 HH TRP 37 0.795 -0.145 -1.278 258 H VAL 38 HN VAL 38 -1.300 2.300 -6.661 259 HA VAL 38 HA VAL 38 -0.891 -0.608 -6.766 260 HB VAL 38 HB VAL 38 0.951 0.083 -8.540 261 1HG1 VAL 38 2HG1 VAL 38 -0.774 -1.630 -8.898 262 2HG1 VAL 38 3HG1 VAL 38 -1.964 -0.377 -9.308 263 3HG1 VAL 38 1HG1 VAL 38 -0.555 -0.653 -10.357 264 1HG2 VAL 38 1HG2 VAL 38 0.328 2.509 -8.581 265 2HG2 VAL 38 2HG2 VAL 38 0.271 1.723 -10.170 266 3HG2 VAL 38 3HG2 VAL 38 -1.235 2.059 -9.306 267 H CYS 39 HN CYN 39 1.295 -1.191 -6.062 268 HA CYS 39 HA CYN 39 2.283 0.745 -4.101 269 1HB CYS 39 2HB CYN 39 3.143 -1.076 -2.959 270 2HB CYS 39 3HB CYN 39 1.671 -1.703 -3.657 271 HA PRO 40 HA PRO 40 5.510 2.146 -6.427 272 1HB PRO 40 2HB PRO 40 7.786 2.285 -4.907 273 2HB PRO 40 3HB PRO 40 6.309 3.231 -4.585 274 1HG PRO 40 2HG PRO 40 7.158 0.641 -3.289 275 2HG PRO 40 3HG PRO 40 6.565 2.125 -2.486 276 1HD PRO 40 2HD PRO 40 4.993 -0.019 -3.026 277 2HD PRO 40 3HD PRO 40 4.328 1.646 -3.097 278 H LEU 41 HN LEU 41 6.359 1.273 -8.194 279 HA LEU 41 HA LEU 41 7.666 0.125 -9.626 280 1HB LEU 41 2HB LEU 41 9.371 -0.863 -7.329 281 2HB LEU 41 3HB LEU 41 9.826 -0.594 -9.008 282 HG LEU 41 HG LEU 41 9.239 1.506 -6.881 283 1HD1 LEU 41 1HD1 LEU 41 11.436 0.329 -6.785 284 2HD1 LEU 41 2HD1 LEU 41 11.769 0.851 -8.446 285 3HD1 LEU 41 3HD1 LEU 41 11.600 2.058 -7.154 286 1HD2 LEU 41 1HD2 LEU 41 9.925 1.885 -9.842 287 2HD2 LEU 41 2HD2 LEU 41 8.411 2.374 -9.052 288 3HD2 LEU 41 3HD2 LEU 41 9.927 3.176 -8.621 289 H CYS 42 HN CYN 42 5.329 -1.175 -8.944 290 HA CYS 42 HA CYN 42 6.109 -4.038 -9.125 291 1HB CYS 42 2HB CYN 42 5.484 -3.211 -6.787 292 2HB CYS 42 3HB CYN 42 3.842 -2.996 -7.436 293 H GLY 43 HN GLY 43 3.828 -5.197 -9.526 294 1HA GLY 43 2HA GLY 43 2.613 -3.883 -11.940 295 2HA GLY 43 3HA GLY 43 2.702 -5.620 -11.635 296 H VAL 44 HN VAL 44 1.320 -6.556 -9.990 297 HA VAL 44 HA VAL 44 -1.204 -5.079 -9.692 298 HB VAL 44 HB VAL 44 -1.180 -7.394 -10.504 299 1HG1 VAL 44 3HG1 VAL 44 0.603 -8.313 -8.915 300 2HG1 VAL 44 1HG1 VAL 44 -0.662 -8.331 -7.663 301 3HG1 VAL 44 2HG1 VAL 44 -0.862 -9.288 -9.127 302 1HG2 VAL 44 1HG2 VAL 44 -2.704 -6.831 -7.935 303 2HG2 VAL 44 2HG2 VAL 44 -3.192 -6.394 -9.584 304 3HG2 VAL 44 3HG2 VAL 44 -3.110 -8.100 -9.110 305 H GLY 45 HN GLY 45 -1.118 -3.582 -8.123 306 1HA GLY 45 2HA GLY 45 0.070 -4.280 -5.468 307 2HA GLY 45 3HA GLY 45 -0.073 -2.650 -6.125 308 H LYS 46 HN LYS 46 -1.241 -3.933 -3.678 309 HA LYS 46 HA LYS 46 -3.079 -4.114 -2.465 310 1HB LYS 46 2HB LYS 46 -3.676 -1.973 -2.516 311 2HB LYS 46 3HB LYS 46 -3.870 -1.895 -4.277 312 1HG LYS 46 2HG LYS 46 -5.998 -2.703 -4.277 313 2HG LYS 46 3HG LYS 46 -5.883 -3.508 -2.708 314 1HD LYS 46 2HD LYS 46 -5.761 -0.496 -2.952 315 2HD LYS 46 3HD LYS 46 -7.273 -1.399 -2.921 316 1HE LYS 46 2HE LYS 46 -6.055 -2.570 -0.772 317 2HE LYS 46 3HE LYS 46 -5.349 -0.989 -0.703 318 1HZ LYS 46 3HNZ LYS 46 -7.740 -0.143 -0.912 319 2HZ LYS 46 1HNZ LYS 46 -8.246 -1.677 -0.726 320 3HZ LYS 46 2HNZ LYS 46 -7.389 -0.920 0.494 321 H ASP 47 HN ASP 47 -3.563 -6.162 -2.527 322 HA ASP 47 HA ASP 47 -6.137 -6.758 -3.820 323 1HB ASP 47 2HB ASP 47 -3.632 -8.430 -4.218 324 2HB ASP 47 3HB ASP 47 -5.149 -9.274 -3.866 325 H GLN 48 HN GLN 48 -3.785 -8.655 -2.024 326 HA GLN 48 HA GLN 48 -5.322 -8.429 0.505 327 1HB GLN 48 2HB GLN 48 -6.173 -10.271 -1.008 328 2HB GLN 48 3HB GLN 48 -4.626 -11.089 -0.838 329 1HG GLN 48 2HG GLN 48 -6.134 -10.258 1.663 330 2HG GLN 48 3HG GLN 48 -6.826 -11.546 0.680 331 1HE2 GLN 48 2HNE GLN 48 -4.310 -12.808 3.325 332 2HE2 GLN 48 1HNE GLN 48 -5.380 -11.424 3.460 333 H PHE 49 HN PHE 49 -3.203 -7.063 0.268 334 HA PHE 49 HA PHE 49 -0.618 -8.178 0.720 335 1HB PHE 49 2HB PHE 49 -1.979 -5.530 1.403 336 2HB PHE 49 3HB PHE 49 -0.371 -5.787 1.878 337 HD1 PHE 49 HD1 PHE 49 -1.299 -7.210 -1.439 338 HD2 PHE 49 HD2 PHE 49 0.675 -4.057 0.766 339 HE1 PHE 49 HE1 PHE 49 -0.267 -6.371 -3.508 340 HE2 PHE 49 HE2 PHE 49 1.517 -3.120 -1.356 341 HZ PHE 49 HZ PHE 49 1.120 -4.307 -3.464 342 H GLU 50 HN GLU 50 0.561 -8.364 2.815 343 HA GLU 50 HA GLU 50 -1.240 -9.579 4.871 344 1HB GLU 50 2HB GLU 50 1.726 -9.771 4.257 345 2HB GLU 50 3HB GLU 50 1.099 -10.182 5.858 346 1HG GLU 50 2HG GLU 50 -0.424 -11.834 4.807 347 2HG GLU 50 3HG GLU 50 0.287 -11.468 3.223 348 H GLU 51 HN GLU 51 -1.014 -8.867 7.146 349 HA GLU 51 HA GLU 51 -0.621 -5.991 7.347 350 1HB GLU 51 2HB GLU 51 -2.572 -6.997 8.336 351 2HB GLU 51 3HB GLU 51 -1.604 -8.217 9.182 352 1HG GLU 51 2HG GLU 51 -0.594 -6.597 10.554 353 2HG GLU 51 3HG GLU 51 -1.404 -5.235 9.762 354 H VAL 52 HN VAL 52 0.971 -5.016 8.652 355 HA VAL 52 HA VAL 52 3.276 -6.654 9.557 356 HB VAL 52 HB VAL 52 2.961 -3.925 8.271 357 1HG1 VAL 52 2HG1 VAL 52 5.320 -4.927 9.923 358 2HG1 VAL 52 3HG1 VAL 52 5.344 -3.494 8.863 359 3HG1 VAL 52 1HG1 VAL 52 4.304 -3.517 10.291 360 1HG2 VAL 52 2HG2 VAL 52 3.391 -5.836 6.825 361 2HG2 VAL 52 3HG2 VAL 52 4.694 -4.630 6.851 362 3HG2 VAL 52 1HG2 VAL 52 4.892 -6.173 7.724 363 H GLU 53 HN GLU 53 2.933 -6.978 11.667 364 HA GLU 53 HA GLU 53 1.435 -5.355 13.410 365 1HB GLU 53 2HB GLU 53 2.273 -6.924 15.079 366 2HB GLU 53 3HB GLU 53 1.589 -7.718 13.660 367 1HG GLU 53 2HG GLU 53 3.998 -8.096 12.842 368 2HG GLU 53 3HG GLU 53 4.546 -7.440 14.369 369 H GLU 54 HN GLU 54 2.643 -3.415 12.734 370 HA GLU 54 HA GLU 54 5.041 -2.625 14.200 371 1HB GLU 54 2HB GLU 54 4.231 -0.317 13.925 372 2HB GLU 54 3HB GLU 54 4.385 -1.203 12.406 373 1HG GLU 54 2HG GLU 54 1.959 -1.489 12.254 374 2HG GLU 54 3HG GLU 54 1.748 -0.821 13.883 No H/Q in entry = 374 Start of MODEL 15 1 1H MET 1 1HN MET 1 -0.982 3.446 12.539 2 2H MET 1 2HN MET 1 -1.311 3.862 11.048 3 3H MET 1 3HN MET 1 -2.352 4.306 12.246 4 HA MET 1 HA MET 1 -3.038 2.011 12.534 5 1HB MET 1 2HB MET 1 -3.860 3.603 10.475 6 2HB MET 1 3HB MET 1 -3.067 2.385 9.543 7 1HG MET 1 2HG MET 1 -4.915 1.299 11.505 8 2HG MET 1 3HG MET 1 -5.639 2.225 10.188 9 1HE MET 1 2HE MET 1 -6.993 -0.022 9.834 10 2HE MET 1 3HE MET 1 -6.271 -1.519 9.198 11 3HE MET 1 1HE MET 1 -6.008 -1.049 10.896 12 H LYS 2 HN LYS 2 -2.958 -0.236 11.321 13 HA LYS 2 HA LYS 2 -0.238 -1.101 11.531 14 1HB LYS 2 2HB LYS 2 -2.758 -2.456 10.489 15 2HB LYS 2 3HB LYS 2 -1.169 -3.210 10.557 16 1HG LYS 2 2HG LYS 2 -1.635 -2.039 13.160 17 2HG LYS 2 3HG LYS 2 -3.121 -2.858 12.652 18 1HD LYS 2 2HD LYS 2 -1.442 -4.807 11.930 19 2HD LYS 2 3HD LYS 2 -0.281 -3.979 12.959 20 1HE LYS 2 2HE LYS 2 -3.061 -4.918 13.815 21 2HE LYS 2 3HE LYS 2 -1.634 -5.951 13.876 22 1HZ LYS 2 3HNZ LYS 2 -0.558 -4.312 15.317 23 2HZ LYS 2 1HNZ LYS 2 -1.922 -3.425 15.368 24 3HZ LYS 2 2HNZ LYS 2 -1.905 -4.945 16.012 25 H LYS 3 HN LYS 3 1.189 -1.665 10.031 26 HA LYS 3 HA LYS 3 1.060 -0.534 7.345 27 1HB LYS 3 2HB LYS 3 3.075 -2.175 8.873 28 2HB LYS 3 3HB LYS 3 3.384 -1.408 7.298 29 1HG LYS 3 2HG LYS 3 2.931 0.803 8.318 30 2HG LYS 3 3HG LYS 3 2.607 0.054 9.866 31 1HD LYS 3 2HD LYS 3 4.904 -0.989 9.789 32 2HD LYS 3 3HD LYS 3 5.292 0.072 8.422 33 1HE LYS 3 2HE LYS 3 4.988 2.072 9.822 34 2HE LYS 3 3HE LYS 3 4.215 1.115 11.089 35 1HZ LYS 3 2HNZ LYS 3 6.531 -0.097 10.994 36 2HZ LYS 3 3HNZ LYS 3 7.020 1.492 10.724 37 3HZ LYS 3 1HNZ LYS 3 6.088 0.981 12.034 38 H TYR 4 HN TYR 4 1.931 -2.080 5.603 39 HA TYR 4 HA TYR 4 0.857 -4.790 5.881 40 1HB TYR 4 2HB TYR 4 -0.223 -2.964 3.662 41 2HB TYR 4 3HB TYR 4 -0.308 -4.697 3.677 42 HD1 TYR 4 HD2 TYR 4 -1.361 -1.837 5.943 43 HD2 TYR 4 HD1 TYR 4 -2.182 -5.789 4.413 44 HE1 TYR 4 HE2 TYR 4 -3.396 -1.960 7.318 45 HE2 TYR 4 HE1 TYR 4 -4.219 -5.890 5.773 46 HH TYR 4 HOH TYR 4 -5.327 -4.907 7.599 47 H THR 5 HN THR 5 2.118 -6.322 4.803 48 HA THR 5 HA THR 5 4.427 -5.377 3.219 49 HB THR 5 HB THR 5 3.621 -8.262 3.738 50 HG1 THR 5 HG1 THR 5 5.132 -6.516 5.373 51 1HG2 THR 5 3HG2 THR 5 6.332 -6.902 3.292 52 2HG2 THR 5 1HG2 THR 5 6.082 -8.617 3.678 53 3HG2 THR 5 2HG2 THR 5 5.504 -7.966 2.144 54 H CYS 6 HN CYN 6 4.743 -5.729 1.037 55 HA CYS 6 HA CYN 6 2.523 -6.357 -0.740 56 1HB CYS 6 2HB CYN 6 4.451 -4.741 -1.113 57 2HB CYS 6 3HB CYN 6 5.484 -6.153 -1.325 58 H THR 7 HN THR 7 3.481 -8.037 -2.603 59 HA THR 7 HA THR 7 3.280 -10.624 -1.210 60 HB THR 7 HB THR 7 3.212 -9.914 -4.169 61 HG1 THR 7 HG1 THR 7 1.545 -9.169 -2.565 62 1HG2 THR 7 1HG2 THR 7 2.383 -12.472 -2.715 63 2HG2 THR 7 2HG2 THR 7 2.085 -12.106 -4.423 64 3HG2 THR 7 3HG2 THR 7 3.741 -12.348 -3.852 65 H VAL 8 HN VAL 8 5.159 -10.538 -4.191 66 HA VAL 8 HA VAL 8 7.398 -11.799 -2.767 67 HB VAL 8 HB VAL 8 6.415 -12.766 -4.803 68 1HG1 VAL 8 1HG1 VAL 8 5.916 -10.687 -6.093 69 2HG1 VAL 8 2HG1 VAL 8 7.659 -10.426 -6.316 70 3HG1 VAL 8 3HG1 VAL 8 6.876 -11.851 -7.012 71 1HG2 VAL 8 1HG2 VAL 8 8.738 -13.271 -4.117 72 2HG2 VAL 8 2HG2 VAL 8 8.506 -13.368 -5.870 73 3HG2 VAL 8 3HG2 VAL 8 9.328 -11.963 -5.165 74 H CYS 9 HN CYN 9 6.597 -8.844 -4.338 75 HA CYS 9 HA CYN 9 8.804 -7.405 -4.969 76 1HB CYS 9 2HB CYN 9 6.407 -6.850 -5.107 77 2HB CYS 9 3HB CYN 9 6.385 -6.696 -3.346 78 H GLY 10 HN GLY 10 7.408 -7.562 -1.645 79 1HA GLY 10 2HA GLY 10 8.684 -7.848 0.316 80 2HA GLY 10 3HA GLY 10 10.127 -7.221 -0.476 81 H TYR 11 HN TYR 11 8.051 -4.928 -1.504 82 HA TYR 11 HA TYR 11 8.815 -3.073 0.538 83 1HB TYR 11 2HB TYR 11 6.870 -2.939 -1.785 84 2HB TYR 11 3HB TYR 11 6.926 -1.637 -0.610 85 HD1 TYR 11 HD2 TYR 11 9.484 -0.891 0.051 86 HD2 TYR 11 HD1 TYR 11 8.028 -2.270 -3.758 87 HE1 TYR 11 HE2 TYR 11 11.443 0.126 -1.073 88 HE2 TYR 11 HE1 TYR 11 10.045 -1.382 -4.858 89 HH TYR 11 HOH TYR 11 12.001 -0.205 -4.586 90 H ILE 12 HN ILE 12 7.384 -1.749 1.840 91 HA ILE 12 HA ILE 12 5.019 -3.169 2.923 92 HB ILE 12 HB ILE 12 7.386 -1.988 4.395 93 1HG1 ILE 12 2HG1 ILE 12 5.669 -4.460 4.880 94 2HG1 ILE 12 3HG1 ILE 12 7.114 -4.466 3.862 95 1HG2 ILE 12 2HG2 ILE 12 4.557 -2.266 5.493 96 2HG2 ILE 12 3HG2 ILE 12 5.997 -1.992 6.494 97 3HG2 ILE 12 1HG2 ILE 12 5.491 -0.756 5.366 98 1HD1 ILE 12 2HD1 ILE 12 8.485 -3.775 5.813 99 2HD1 ILE 12 3HD1 ILE 12 7.045 -3.907 6.854 100 3HD1 ILE 12 1HD1 ILE 12 7.673 -5.338 6.028 101 H TYR 13 HN TYR 13 3.268 -1.944 2.787 102 HA TYR 13 HA TYR 13 3.431 0.938 2.141 103 1HB TYR 13 2HB TYR 13 1.700 -0.308 1.017 104 2HB TYR 13 3HB TYR 13 1.148 -1.029 2.529 105 HD1 TYR 13 HD2 TYR 13 1.214 2.083 0.527 106 HD2 TYR 13 HD1 TYR 13 -0.419 0.088 3.905 107 HE1 TYR 13 HE2 TYR 13 0.037 4.182 1.158 108 HE2 TYR 13 HE1 TYR 13 -1.706 2.152 4.529 109 HH TYR 13 HOH TYR 13 -2.376 4.367 3.799 110 H ASN 14 HN ASN 14 3.160 2.508 3.687 111 HA ASN 14 HA ASN 14 2.512 1.688 6.471 112 1HB ASN 14 2HB ASN 14 4.877 2.359 6.269 113 2HB ASN 14 3HB ASN 14 4.381 3.900 5.572 114 1HD2 ASN 14 2HND ASN 14 4.966 4.602 9.137 115 2HD2 ASN 14 1HND ASN 14 5.744 4.589 7.575 116 HA PRO 15 HA PRO 15 -0.848 4.423 5.416 117 1HB PRO 15 2HB PRO 15 -2.162 4.341 7.929 118 2HB PRO 15 3HB PRO 15 -2.482 3.178 6.648 119 1HG PRO 15 2HG PRO 15 -0.810 2.869 9.060 120 2HG PRO 15 3HG PRO 15 -1.638 1.615 8.076 121 1HD PRO 15 2HD PRO 15 1.054 2.106 8.151 122 2HD PRO 15 3HD PRO 15 0.256 1.254 6.827 123 H GLU 16 HN GLU 16 0.951 4.698 8.443 124 HA GLU 16 HA GLU 16 -0.039 7.300 9.055 125 1HB GLU 16 2HB GLU 16 2.505 5.873 9.904 126 2HB GLU 16 3HB GLU 16 1.798 7.315 10.617 127 1HG GLU 16 2HG GLU 16 -0.395 5.890 10.850 128 2HG GLU 16 3HG GLU 16 0.635 4.481 10.471 129 H ASP 17 HN ASP 17 2.376 6.121 6.917 130 HA ASP 17 HA ASP 17 3.519 8.832 6.340 131 1HB ASP 17 2HB ASP 17 4.172 6.069 5.283 132 2HB ASP 17 3HB ASP 17 4.961 7.553 4.774 133 H GLY 18 HN GLY 18 1.377 6.319 5.044 134 1HA GLY 18 2HA GLY 18 0.133 6.137 3.227 135 2HA GLY 18 3HA GLY 18 0.252 7.867 2.913 136 H ASP 19 HN ASP 19 0.495 7.294 0.686 137 HA ASP 19 HA ASP 19 3.286 6.969 -0.149 138 1HB ASP 19 2HB ASP 19 1.187 4.938 -0.705 139 2HB ASP 19 3HB ASP 19 1.940 5.536 -2.163 140 HA PRO 20 HA PRO 20 0.408 10.357 -1.602 141 1HB PRO 20 2HB PRO 20 2.088 12.518 -1.156 142 2HB PRO 20 3HB PRO 20 0.932 11.846 0.035 143 1HG PRO 20 2HG PRO 20 3.896 11.291 -0.214 144 2HG PRO 20 3HG PRO 20 2.960 11.621 1.274 145 1HD PRO 20 2HD PRO 20 3.623 9.101 0.562 146 2HD PRO 20 3HD PRO 20 2.013 9.446 1.252 147 H ASP 21 HN ASP 21 3.910 9.845 -2.289 148 HA ASP 21 HA ASP 21 4.169 11.300 -4.619 149 1HB ASP 21 2HB ASP 21 5.368 8.618 -3.766 150 2HB ASP 21 3HB ASP 21 6.016 9.681 -5.016 151 H ASN 22 HN ASN 22 2.527 8.300 -3.977 152 HA ASN 22 HA ASN 22 2.206 7.604 -6.844 153 1HB ASN 22 2HB ASN 22 1.525 5.968 -4.380 154 2HB ASN 22 3HB ASN 22 1.682 5.393 -6.037 155 1HD2 ASN 22 2HND ASN 22 4.958 5.815 -3.624 156 2HD2 ASN 22 1HND ASN 22 3.438 6.487 -3.156 157 H GLY 23 HN GLY 23 0.526 8.712 -4.044 158 1HA GLY 23 2HA GLY 23 -1.318 10.204 -4.843 159 2HA GLY 23 3HA GLY 23 -2.072 8.773 -5.556 160 H VAL 24 HN VAL 24 -0.576 8.004 -2.546 161 HA VAL 24 HA VAL 24 -3.278 7.898 -1.246 162 HB VAL 24 HB VAL 24 -0.752 6.268 -0.988 163 1HG1 VAL 24 1HG1 VAL 24 -3.344 6.091 0.575 164 2HG1 VAL 24 2HG1 VAL 24 -2.121 4.808 0.505 165 3HG1 VAL 24 3HG1 VAL 24 -1.705 6.373 1.225 166 1HG2 VAL 24 3HG2 VAL 24 -2.179 5.806 -2.988 167 2HG2 VAL 24 1HG2 VAL 24 -2.164 4.447 -1.849 168 3HG2 VAL 24 2HG2 VAL 24 -3.566 5.538 -1.920 169 H ASN 25 HN ASN 25 -3.552 9.547 0.141 170 HA ASN 25 HA ASN 25 -1.376 11.158 1.080 171 1HB ASN 25 2HB ASN 25 -4.353 10.991 1.664 172 2HB ASN 25 3HB ASN 25 -3.322 11.984 2.682 173 1HD2 ASN 25 1HND ASN 25 -3.729 11.400 -0.898 174 2HD2 ASN 25 2HND ASN 25 -3.632 13.101 -1.285 175 HA PRO 26 HA PRO 26 -0.251 9.055 4.841 176 1HB PRO 26 2HB PRO 26 -0.001 11.192 6.644 177 2HB PRO 26 3HB PRO 26 1.254 10.568 5.558 178 1HG PRO 26 2HG PRO 26 -0.512 12.965 5.206 179 2HG PRO 26 3HG PRO 26 1.181 12.707 4.668 180 1HD PRO 26 2HD PRO 26 -1.006 12.581 2.986 181 2HD PRO 26 3HD PRO 26 0.498 11.657 2.709 182 H GLY 27 HN GLY 27 -1.183 8.249 6.626 183 1HA GLY 27 2HA GLY 27 -2.763 7.799 8.219 184 2HA GLY 27 3HA GLY 27 -3.569 9.343 7.895 185 H THR 28 HN THR 28 -2.989 7.232 5.022 186 HA THR 28 HA THR 28 -5.904 6.832 4.962 187 HB THR 28 HB THR 28 -3.691 6.237 2.956 188 HG1 THR 28 HG1 THR 28 -3.983 8.428 3.086 189 1HG2 THR 28 1HG2 THR 28 -6.722 6.181 2.782 190 2HG2 THR 28 2HG2 THR 28 -5.628 6.046 1.383 191 3HG2 THR 28 3HG2 THR 28 -5.609 4.799 2.649 192 H ASP 29 HN ASP 29 -6.619 5.183 5.968 193 HA ASP 29 HA ASP 29 -5.298 2.806 6.803 194 1HB ASP 29 2HB ASP 29 -7.564 3.665 7.493 195 2HB ASP 29 3HB ASP 29 -8.188 3.141 5.949 196 H PHE 30 HN PHE 30 -4.800 1.036 5.681 197 HA PHE 30 HA PHE 30 -4.537 0.880 2.908 198 1HB PHE 30 2HB PHE 30 -3.696 -0.621 4.899 199 2HB PHE 30 3HB PHE 30 -5.162 -1.563 4.637 200 HD1 PHE 30 HD1 PHE 30 -2.401 0.070 2.776 201 HD2 PHE 30 HD2 PHE 30 -5.020 -3.315 2.912 202 HE1 PHE 30 HE1 PHE 30 -1.119 -0.944 0.917 203 HE2 PHE 30 HE2 PHE 30 -3.843 -4.282 0.960 204 HZ PHE 30 HZ PHE 30 -1.785 -3.111 0.064 205 H LYS 31 HN LYS 31 -7.510 0.324 4.852 206 HA LYS 31 HA LYS 31 -8.732 -1.185 2.663 207 1HB LYS 31 2HB LYS 31 -10.755 -1.091 3.874 208 2HB LYS 31 3HB LYS 31 -9.408 -1.457 4.969 209 1HG LYS 31 2HG LYS 31 -9.352 1.123 5.384 210 2HG LYS 31 3HG LYS 31 -10.895 1.155 4.601 211 1HD LYS 31 2HD LYS 31 -11.672 -0.590 6.319 212 2HD LYS 31 3HD LYS 31 -10.038 -0.485 7.017 213 1HE LYS 31 2HE LYS 31 -10.788 2.193 6.948 214 2HE LYS 31 3HE LYS 31 -12.344 1.425 7.270 215 1HZ LYS 31 1HNZ LYS 31 -11.181 0.360 9.181 216 2HZ LYS 31 2HNZ LYS 31 -9.807 1.177 8.746 217 3HZ LYS 31 3HNZ LYS 31 -11.116 2.018 9.250 218 H ASP 32 HN ASP 32 -8.699 2.219 3.726 219 HA ASP 32 HA ASP 32 -10.643 3.193 1.872 220 1HB ASP 32 2HB ASP 32 -8.517 4.532 3.602 221 2HB ASP 32 3HB ASP 32 -9.630 5.423 2.561 222 H ILE 33 HN ILE 33 -7.214 2.378 1.506 223 HA ILE 33 HA ILE 33 -6.435 4.151 -0.417 224 HB ILE 33 HB ILE 33 -5.924 1.204 -0.170 225 1HG1 ILE 33 2HG1 ILE 33 -4.574 3.736 0.812 226 2HG1 ILE 33 3HG1 ILE 33 -5.226 2.499 1.813 227 1HG2 ILE 33 2HG2 ILE 33 -5.318 1.996 -2.396 228 2HG2 ILE 33 3HG2 ILE 33 -4.209 3.154 -1.598 229 3HG2 ILE 33 1HG2 ILE 33 -4.005 1.389 -1.385 230 1HD1 ILE 33 2HD1 ILE 33 -3.467 0.930 0.761 231 2HD1 ILE 33 3HD1 ILE 33 -2.677 2.420 0.180 232 3HD1 ILE 33 1HD1 ILE 33 -2.929 2.169 1.912 233 HA PRO 34 HA PRO 34 -9.498 3.257 -3.566 234 1HB PRO 34 2HB PRO 34 -7.881 4.159 -5.751 235 2HB PRO 34 3HB PRO 34 -9.140 5.078 -4.903 236 1HG PRO 34 2HG PRO 34 -6.265 5.437 -4.823 237 2HG PRO 34 3HG PRO 34 -7.507 6.373 -3.948 238 1HD PRO 34 2HD PRO 34 -5.720 4.288 -2.908 239 2HD PRO 34 3HD PRO 34 -6.782 5.386 -2.017 240 H ASP 35 HN ASP 35 -9.897 1.462 -4.916 241 HA ASP 35 HA ASP 35 -7.876 -0.571 -4.990 242 1HB ASP 35 2HB ASP 35 -10.716 -0.430 -5.360 243 2HB ASP 35 3HB ASP 35 -10.038 -1.102 -6.844 244 H ASP 36 HN ASP 36 -8.341 2.147 -7.038 245 HA ASP 36 HA ASP 36 -7.068 0.973 -9.360 246 1HB ASP 36 2HB ASP 36 -7.063 3.250 -10.184 247 2HB ASP 36 3HB ASP 36 -8.669 2.822 -9.593 248 H TRP 37 HN TRP 37 -5.949 1.957 -6.251 249 HA TRP 37 HA TRP 37 -3.366 2.951 -7.166 250 1HB TRP 37 2HB TRP 37 -4.340 3.682 -5.020 251 2HB TRP 37 3HB TRP 37 -4.351 2.012 -4.475 252 HD1 TRP 37 HD TRP 37 -1.755 4.745 -5.262 253 HE1 TRP 37 HNE TRP 37 0.390 4.204 -3.953 254 HE3 TRP 37 HE TRP 37 -3.087 0.223 -3.455 255 HZ2 TRP 37 HZ1 TRP 37 1.393 2.044 -2.279 256 HZ3 TRP 37 HZ2 TRP 37 -1.509 -1.133 -2.035 257 HH2 TRP 37 HH TRP 37 0.724 -0.213 -1.454 258 H VAL 38 HN VAL 38 -1.398 1.808 -6.848 259 HA VAL 38 HA VAL 38 -1.477 -1.130 -6.652 260 HB VAL 38 HB VAL 38 -1.877 -0.498 -9.036 261 1HG1 VAL 38 3HG1 VAL 38 -0.582 1.619 -9.107 262 2HG1 VAL 38 1HG1 VAL 38 0.929 0.691 -8.974 263 3HG1 VAL 38 2HG1 VAL 38 -0.116 0.495 -10.392 264 1HG2 VAL 38 1HG2 VAL 38 -0.773 -2.626 -8.487 265 2HG2 VAL 38 2HG2 VAL 38 -0.280 -1.972 -10.053 266 3HG2 VAL 38 3HG2 VAL 38 0.821 -1.849 -8.674 267 H CYS 39 HN CYN 39 0.800 -1.955 -6.527 268 HA CYS 39 HA CYN 39 2.287 -0.791 -4.514 269 1HB CYS 39 2HB CYN 39 2.349 -3.139 -5.649 270 2HB CYS 39 3HB CYN 39 3.523 -2.414 -6.747 271 HA PRO 40 HA PRO 40 4.005 2.767 -6.436 272 1HB PRO 40 2HB PRO 40 6.388 3.198 -5.090 273 2HB PRO 40 3HB PRO 40 4.774 3.464 -4.382 274 1HG PRO 40 2HG PRO 40 6.446 0.974 -4.077 275 2HG PRO 40 3HG PRO 40 5.677 1.963 -2.795 276 1HD PRO 40 2HD PRO 40 4.416 -0.190 -3.676 277 2HD PRO 40 3HD PRO 40 3.476 1.308 -3.510 278 H LEU 41 HN LEU 41 6.203 -0.049 -6.243 279 HA LEU 41 HA LEU 41 7.320 0.665 -8.922 280 1HB LEU 41 2HB LEU 41 8.954 -0.174 -6.504 281 2HB LEU 41 3HB LEU 41 9.598 0.170 -8.114 282 HG LEU 41 HG LEU 41 8.245 2.229 -6.318 283 1HD1 LEU 41 1HD1 LEU 41 11.199 1.673 -6.744 284 2HD1 LEU 41 2HD1 LEU 41 10.522 3.085 -5.902 285 3HD1 LEU 41 3HD1 LEU 41 10.269 1.461 -5.244 286 1HD2 LEU 41 3HD2 LEU 41 8.465 2.555 -8.977 287 2HD2 LEU 41 1HD2 LEU 41 8.839 3.869 -7.857 288 3HD2 LEU 41 2HD2 LEU 41 10.150 2.906 -8.565 289 H CYS 42 HN CYN 42 5.249 -1.174 -8.496 290 HA CYS 42 HA CYN 42 6.355 -3.617 -9.493 291 1HB CYS 42 2HB CYN 42 6.970 -4.369 -7.464 292 2HB CYS 42 3HB CYN 42 5.921 -3.274 -6.597 293 H GLY 43 HN GLY 43 4.278 -5.216 -9.440 294 1HA GLY 43 2HA GLY 43 1.890 -3.610 -10.287 295 2HA GLY 43 3HA GLY 43 2.663 -4.742 -11.404 296 H VAL 44 HN VAL 44 1.503 -4.639 -7.984 297 HA VAL 44 HA VAL 44 -0.058 -7.102 -8.526 298 HB VAL 44 HB VAL 44 2.035 -7.610 -7.216 299 1HG1 VAL 44 3HG1 VAL 44 2.083 -5.533 -5.810 300 2HG1 VAL 44 1HG1 VAL 44 0.642 -6.125 -4.951 301 3HG1 VAL 44 2HG1 VAL 44 2.150 -7.042 -4.879 302 1HG2 VAL 44 3HG2 VAL 44 0.047 -9.071 -7.145 303 2HG2 VAL 44 1HG2 VAL 44 0.908 -9.046 -5.598 304 3HG2 VAL 44 2HG2 VAL 44 -0.601 -8.132 -5.778 305 H GLY 45 HN GLY 45 -2.103 -7.092 -7.638 306 1HA GLY 45 2HA GLY 45 -3.352 -4.557 -7.289 307 2HA GLY 45 3HA GLY 45 -4.074 -6.146 -6.965 308 H LYS 46 HN LYS 46 -4.181 -3.549 -5.397 309 HA LYS 46 HA LYS 46 -2.619 -3.791 -3.075 310 1HB LYS 46 2HB LYS 46 -4.041 -2.228 -2.048 311 2HB LYS 46 3HB LYS 46 -3.762 -1.780 -3.736 312 1HG LYS 46 2HG LYS 46 -5.966 -2.291 -4.412 313 2HG LYS 46 3HG LYS 46 -6.324 -3.201 -2.931 314 1HD LYS 46 2HD LYS 46 -5.878 -0.219 -3.028 315 2HD LYS 46 3HD LYS 46 -7.426 -1.076 -2.981 316 1HE LYS 46 2HE LYS 46 -6.203 -2.311 -0.884 317 2HE LYS 46 3HE LYS 46 -5.421 -0.761 -0.799 318 1HZ LYS 46 2HNZ LYS 46 -7.799 0.184 -0.902 319 2HZ LYS 46 3HNZ LYS 46 -8.344 -1.345 -0.720 320 3HZ LYS 46 1HNZ LYS 46 -7.419 -0.640 0.465 321 H ASP 47 HN ASP 47 -5.721 -5.284 -3.898 322 HA ASP 47 HA ASP 47 -6.207 -6.433 -1.297 323 1HB ASP 47 2HB ASP 47 -8.024 -5.904 -2.904 324 2HB ASP 47 3HB ASP 47 -7.385 -7.123 -4.023 325 H GLN 48 HN GLN 48 -4.008 -7.173 -1.120 326 HA GLN 48 HA GLN 48 -3.670 -9.995 -1.521 327 1HB GLN 48 2HB GLN 48 -3.039 -8.820 -3.860 328 2HB GLN 48 3HB GLN 48 -1.574 -8.365 -2.999 329 1HG GLN 48 2HG GLN 48 -1.057 -10.413 -4.080 330 2HG GLN 48 3HG GLN 48 -1.320 -10.865 -2.394 331 1HE2 GLN 48 2HNE GLN 48 -4.147 -11.898 -5.253 332 2HE2 GLN 48 1HNE GLN 48 -3.121 -10.497 -5.511 333 H PHE 49 HN PHE 49 -2.271 -6.814 -0.837 334 HA PHE 49 HA PHE 49 0.112 -7.591 0.423 335 1HB PHE 49 2HB PHE 49 -1.726 -5.215 0.752 336 2HB PHE 49 3HB PHE 49 -0.235 -5.249 1.571 337 HD1 PHE 49 HD2 PHE 49 -1.328 -5.643 -2.065 338 HD2 PHE 49 HD1 PHE 49 1.563 -4.091 0.763 339 HE1 PHE 49 HE2 PHE 49 -0.300 -4.301 -3.837 340 HE2 PHE 49 HE1 PHE 49 2.662 -2.865 -1.084 341 HZ PHE 49 HZ PHE 49 1.720 -2.939 -3.362 342 H GLU 50 HN GLU 50 0.618 -8.032 2.618 343 HA GLU 50 HA GLU 50 -1.663 -9.129 4.234 344 1HB GLU 50 2HB GLU 50 1.339 -9.694 4.141 345 2HB GLU 50 3HB GLU 50 0.309 -10.226 5.462 346 1HG GLU 50 2HG GLU 50 -1.147 -11.442 3.806 347 2HG GLU 50 3HG GLU 50 -0.027 -10.967 2.515 348 H GLU 51 HN GLU 51 -1.716 -8.597 6.610 349 HA GLU 51 HA GLU 51 -0.983 -5.846 7.078 350 1HB GLU 51 2HB GLU 51 -3.108 -6.741 7.858 351 2HB GLU 51 3HB GLU 51 -2.306 -8.077 8.692 352 1HG GLU 51 2HG GLU 51 -1.335 -6.685 10.253 353 2HG GLU 51 3HG GLU 51 -1.829 -5.177 9.435 354 H VAL 52 HN VAL 52 0.670 -5.046 8.381 355 HA VAL 52 HA VAL 52 2.751 -6.944 9.286 356 HB VAL 52 HB VAL 52 2.681 -4.114 8.222 357 1HG1 VAL 52 3HG1 VAL 52 4.867 -5.330 9.975 358 2HG1 VAL 52 1HG1 VAL 52 5.070 -3.891 8.943 359 3HG1 VAL 52 2HG1 VAL 52 3.928 -3.852 10.287 360 1HG2 VAL 52 2HG2 VAL 52 3.050 -6.065 6.793 361 2HG2 VAL 52 3HG2 VAL 52 4.406 -4.916 6.813 362 3HG2 VAL 52 1HG2 VAL 52 4.520 -6.446 7.719 363 H GLU 53 HN GLU 53 2.242 -7.520 11.276 364 HA GLU 53 HA GLU 53 0.777 -6.020 13.146 365 1HB GLU 53 2HB GLU 53 1.303 -7.875 14.615 366 2HB GLU 53 3HB GLU 53 0.617 -8.367 13.066 367 1HG GLU 53 2HG GLU 53 2.976 -8.982 12.315 368 2HG GLU 53 3HG GLU 53 3.537 -8.574 13.927 369 H GLU 54 HN GLU 54 2.249 -4.172 12.779 370 HA GLU 54 HA GLU 54 4.200 -3.704 14.929 371 1HB GLU 54 2HB GLU 54 2.219 -1.708 13.863 372 2HB GLU 54 3HB GLU 54 3.707 -1.385 14.744 373 1HG GLU 54 2HG GLU 54 4.159 -2.891 12.214 374 2HG GLU 54 3HG GLU 54 3.332 -1.354 11.997 No H/Q in entry = 374 Start of MODEL 16 1 1H MET 1 1HN MET 1 -0.859 3.327 11.690 2 2H MET 1 2HN MET 1 -1.915 4.278 10.905 3 3H MET 1 3HN MET 1 -1.826 4.210 12.565 4 HA MET 1 HA MET 1 -3.148 2.253 12.543 5 1HB MET 1 2HB MET 1 -4.067 3.627 10.434 6 2HB MET 1 3HB MET 1 -3.228 2.422 9.519 7 1HG MET 1 2HG MET 1 -5.008 1.335 11.547 8 2HG MET 1 3HG MET 1 -5.780 2.145 10.181 9 1HE MET 1 3HE MET 1 -7.024 -0.228 9.981 10 2HE MET 1 1HE MET 1 -6.201 -1.709 9.442 11 3HE MET 1 2HE MET 1 -5.958 -1.107 11.099 12 H LYS 2 HN LYS 2 -3.063 -0.162 11.453 13 HA LYS 2 HA LYS 2 -0.323 -0.926 11.729 14 1HB LYS 2 2HB LYS 2 -2.731 -2.446 10.634 15 2HB LYS 2 3HB LYS 2 -1.107 -3.103 10.846 16 1HG LYS 2 2HG LYS 2 -1.658 -1.934 13.356 17 2HG LYS 2 3HG LYS 2 -3.216 -2.595 12.830 18 1HD LYS 2 2HD LYS 2 -1.633 -4.700 12.156 19 2HD LYS 2 3HD LYS 2 -0.534 -4.002 13.321 20 1HE LYS 2 2HE LYS 2 -3.452 -4.829 13.798 21 2HE LYS 2 3HE LYS 2 -2.054 -5.858 14.103 22 1HZ LYS 2 3HNZ LYS 2 -1.259 -4.193 15.686 23 2HZ LYS 2 1HNZ LYS 2 -2.644 -3.319 15.470 24 3HZ LYS 2 2HNZ LYS 2 -2.713 -4.832 16.118 25 H LYS 3 HN LYS 3 1.176 -1.443 10.285 26 HA LYS 3 HA LYS 3 1.073 -0.482 7.550 27 1HB LYS 3 2HB LYS 3 3.036 -2.132 9.158 28 2HB LYS 3 3HB LYS 3 3.378 -1.462 7.545 29 1HG LYS 3 2HG LYS 3 2.956 0.806 8.384 30 2HG LYS 3 3HG LYS 3 2.557 0.208 9.974 31 1HD LYS 3 2HD LYS 3 4.780 -0.772 10.251 32 2HD LYS 3 3HD LYS 3 5.306 -0.060 8.707 33 1HE LYS 3 2HE LYS 3 5.244 2.141 9.559 34 2HE LYS 3 3HE LYS 3 3.995 1.753 10.755 35 1HZ LYS 3 2HNZ LYS 3 6.768 0.840 11.021 36 2HZ LYS 3 3HNZ LYS 3 6.088 2.146 11.787 37 3HZ LYS 3 1HNZ LYS 3 5.496 0.652 12.069 38 H TYR 4 HN TYR 4 1.863 -2.058 5.802 39 HA TYR 4 HA TYR 4 0.876 -4.779 6.169 40 1HB TYR 4 2HB TYR 4 -0.244 -3.170 3.802 41 2HB TYR 4 3HB TYR 4 -0.310 -4.881 4.053 42 HD1 TYR 4 HD2 TYR 4 -1.339 -1.831 6.082 43 HD2 TYR 4 HD1 TYR 4 -2.362 -5.745 4.590 44 HE1 TYR 4 HE2 TYR 4 -3.315 -1.889 7.561 45 HE2 TYR 4 HE1 TYR 4 -4.318 -5.798 6.097 46 HH TYR 4 HOH TYR 4 -4.740 -4.478 8.623 47 H THR 5 HN THR 5 2.131 -6.261 5.075 48 HA THR 5 HA THR 5 4.381 -5.154 3.465 49 HB THR 5 HB THR 5 4.895 -6.760 5.257 50 HG1 THR 5 HG1 THR 5 6.093 -8.156 3.697 51 1HG2 THR 5 2HG2 THR 5 2.914 -8.263 5.069 52 2HG2 THR 5 3HG2 THR 5 3.507 -8.831 3.493 53 3HG2 THR 5 1HG2 THR 5 4.442 -9.143 4.967 54 H CYS 6 HN CYN 6 4.957 -6.113 1.460 55 HA CYS 6 HA CYN 6 2.705 -6.494 -0.403 56 1HB CYS 6 2HB CYN 6 4.742 -5.067 -0.895 57 2HB CYS 6 3HB CYN 6 5.692 -6.558 -0.909 58 H THR 7 HN THR 7 3.102 -8.385 -1.988 59 HA THR 7 HA THR 7 4.118 -10.832 -0.593 60 HB THR 7 HB THR 7 1.647 -10.584 -0.385 61 HG1 THR 7 HG1 THR 7 1.327 -12.681 -0.709 62 1HG2 THR 7 1HG2 THR 7 1.192 -9.561 -2.629 63 2HG2 THR 7 2HG2 THR 7 1.584 -11.123 -3.385 64 3HG2 THR 7 3HG2 THR 7 0.202 -10.992 -2.284 65 H VAL 8 HN VAL 8 5.016 -8.839 -2.810 66 HA VAL 8 HA VAL 8 5.867 -10.949 -4.746 67 HB VAL 8 HB VAL 8 4.744 -8.201 -5.385 68 1HG1 VAL 8 1HG1 VAL 8 6.090 -10.239 -7.218 69 2HG1 VAL 8 2HG1 VAL 8 5.173 -8.819 -7.768 70 3HG1 VAL 8 3HG1 VAL 8 6.667 -8.594 -6.858 71 1HG2 VAL 8 3HG2 VAL 8 3.847 -11.035 -6.076 72 2HG2 VAL 8 1HG2 VAL 8 2.999 -9.875 -5.027 73 3HG2 VAL 8 2HG2 VAL 8 3.143 -9.557 -6.750 74 H CYS 9 HN CYN 9 6.463 -7.458 -3.908 75 HA CYS 9 HA CYN 9 9.377 -8.012 -4.164 76 1HB CYS 9 2HB CYN 9 9.503 -5.509 -4.053 77 2HB CYS 9 3HB CYN 9 8.731 -6.215 -5.479 78 H GLY 10 HN GLY 10 7.952 -5.621 -2.088 79 1HA GLY 10 2HA GLY 10 7.694 -6.806 0.387 80 2HA GLY 10 3HA GLY 10 9.434 -6.483 0.264 81 H TYR 11 HN TYR 11 6.957 -4.409 -1.286 82 HA TYR 11 HA TYR 11 8.271 -2.121 -0.089 83 1HB TYR 11 2HB TYR 11 7.369 -2.552 -2.509 84 2HB TYR 11 3HB TYR 11 5.834 -2.001 -1.891 85 HD1 TYR 11 HD2 TYR 11 6.065 0.367 -0.469 86 HD2 TYR 11 HD1 TYR 11 8.726 -1.039 -3.566 87 HE1 TYR 11 HE2 TYR 11 6.850 2.679 -0.854 88 HE2 TYR 11 HE1 TYR 11 9.509 1.269 -3.937 89 HH TYR 11 HOH TYR 11 9.293 3.481 -3.342 90 H ILE 12 HN ILE 12 7.619 -2.856 2.139 91 HA ILE 12 HA ILE 12 5.093 -3.045 3.139 92 HB ILE 12 HB ILE 12 7.610 -1.961 4.367 93 1HG1 ILE 12 2HG1 ILE 12 5.765 -4.276 5.104 94 2HG1 ILE 12 3HG1 ILE 12 7.017 -4.417 3.866 95 1HG2 ILE 12 2HG2 ILE 12 4.888 -1.970 5.758 96 2HG2 ILE 12 3HG2 ILE 12 6.433 -1.878 6.615 97 3HG2 ILE 12 1HG2 ILE 12 5.956 -0.566 5.565 98 1HD1 ILE 12 3HD1 ILE 12 8.757 -3.908 5.538 99 2HD1 ILE 12 1HD1 ILE 12 7.512 -3.839 6.811 100 3HD1 ILE 12 2HD1 ILE 12 7.806 -5.351 5.941 101 H TYR 13 HN TYR 13 3.321 -1.953 2.944 102 HA TYR 13 HA TYR 13 3.282 0.904 2.290 103 1HB TYR 13 2HB TYR 13 1.588 -0.581 1.346 104 2HB TYR 13 3HB TYR 13 1.122 -1.119 2.969 105 HD1 TYR 13 HD2 TYR 13 -0.152 0.373 4.484 106 HD2 TYR 13 HD1 TYR 13 0.767 1.529 0.463 107 HE1 TYR 13 HE2 TYR 13 -1.617 2.356 4.711 108 HE2 TYR 13 HE1 TYR 13 -0.258 3.768 0.876 109 HH TYR 13 HOH TYR 13 -2.348 4.386 3.738 110 H ASN 14 HN ASN 14 3.023 2.487 3.783 111 HA ASN 14 HA ASN 14 2.464 1.733 6.599 112 1HB ASN 14 2HB ASN 14 4.805 2.261 6.390 113 2HB ASN 14 3HB ASN 14 4.422 3.769 5.542 114 1HD2 ASN 14 2HND ASN 14 4.990 5.181 8.638 115 2HD2 ASN 14 1HND ASN 14 5.909 4.342 7.490 116 HA PRO 15 HA PRO 15 -0.874 4.483 5.460 117 1HB PRO 15 2HB PRO 15 -2.234 4.414 7.937 118 2HB PRO 15 3HB PRO 15 -2.496 3.205 6.690 119 1HG PRO 15 2HG PRO 15 -0.851 3.018 9.134 120 2HG PRO 15 3HG PRO 15 -1.661 1.708 8.206 121 1HD PRO 15 2HD PRO 15 1.040 2.250 8.258 122 2HD PRO 15 3HD PRO 15 0.248 1.327 6.969 123 H GLU 16 HN GLU 16 0.844 4.745 8.534 124 HA GLU 16 HA GLU 16 -0.024 7.364 9.195 125 1HB GLU 16 2HB GLU 16 2.480 5.778 9.871 126 2HB GLU 16 3HB GLU 16 1.995 7.242 10.662 127 1HG GLU 16 2HG GLU 16 -0.396 5.779 10.680 128 2HG GLU 16 3HG GLU 16 0.795 4.461 10.734 129 H ASP 17 HN ASP 17 2.332 6.169 6.968 130 HA ASP 17 HA ASP 17 3.391 8.922 6.421 131 1HB ASP 17 2HB ASP 17 4.391 6.146 5.770 132 2HB ASP 17 3HB ASP 17 5.073 7.623 5.091 133 H GLY 18 HN GLY 18 1.345 6.369 5.129 134 1HA GLY 18 2HA GLY 18 0.106 6.168 3.291 135 2HA GLY 18 3HA GLY 18 0.289 7.893 2.970 136 H ASP 19 HN ASP 19 0.472 7.305 0.749 137 HA ASP 19 HA ASP 19 3.244 6.913 -0.102 138 1HB ASP 19 2HB ASP 19 1.068 4.929 -0.642 139 2HB ASP 19 3HB ASP 19 1.926 5.446 -2.074 140 HA PRO 20 HA PRO 20 0.403 10.284 -1.670 141 1HB PRO 20 2HB PRO 20 2.095 12.440 -1.244 142 2HB PRO 20 3HB PRO 20 0.887 11.824 -0.074 143 1HG PRO 20 2HG PRO 20 3.853 11.255 -0.185 144 2HG PRO 20 3HG PRO 20 2.850 11.606 1.254 145 1HD PRO 20 2HD PRO 20 3.569 9.076 0.592 146 2HD PRO 20 3HD PRO 20 1.949 9.416 1.257 147 H ASP 21 HN ASP 21 3.891 9.633 -2.252 148 HA ASP 21 HA ASP 21 4.250 11.057 -4.607 149 1HB ASP 21 2HB ASP 21 5.388 8.398 -3.597 150 2HB ASP 21 3HB ASP 21 6.071 9.360 -4.910 151 H ASN 22 HN ASN 22 2.567 8.092 -3.906 152 HA ASN 22 HA ASN 22 2.288 7.293 -6.751 153 1HB ASN 22 2HB ASN 22 1.513 5.891 -4.175 154 2HB ASN 22 3HB ASN 22 1.518 5.170 -5.785 155 1HD2 ASN 22 2HND ASN 22 4.946 5.343 -3.596 156 2HD2 ASN 22 1HND ASN 22 3.544 6.222 -3.060 157 H GLY 23 HN GLY 23 0.568 8.527 -4.034 158 1HA GLY 23 2HA GLY 23 -1.208 10.060 -4.856 159 2HA GLY 23 3HA GLY 23 -1.973 8.672 -5.637 160 H VAL 24 HN VAL 24 -0.556 8.094 -2.477 161 HA VAL 24 HA VAL 24 -3.297 7.913 -1.263 162 HB VAL 24 HB VAL 24 -0.790 6.256 -1.011 163 1HG1 VAL 24 2HG1 VAL 24 -3.339 6.189 0.617 164 2HG1 VAL 24 3HG1 VAL 24 -2.223 4.818 0.489 165 3HG1 VAL 24 1HG1 VAL 24 -1.658 6.340 1.202 166 1HG2 VAL 24 1HG2 VAL 24 -2.260 5.798 -2.987 167 2HG2 VAL 24 2HG2 VAL 24 -2.215 4.442 -1.846 168 3HG2 VAL 24 3HG2 VAL 24 -3.623 5.527 -1.886 169 H ASN 25 HN ASN 25 -3.571 9.559 0.101 170 HA ASN 25 HA ASN 25 -1.422 11.165 1.087 171 1HB ASN 25 2HB ASN 25 -4.401 10.960 1.648 172 2HB ASN 25 3HB ASN 25 -3.392 11.938 2.700 173 1HD2 ASN 25 2HND ASN 25 -3.691 13.145 -1.241 174 2HD2 ASN 25 1HND ASN 25 -3.799 11.437 -0.886 175 HA PRO 26 HA PRO 26 -0.319 9.021 4.839 176 1HB PRO 26 2HB PRO 26 0.017 11.099 6.651 177 2HB PRO 26 3HB PRO 26 1.215 10.542 5.464 178 1HG PRO 26 2HG PRO 26 -0.664 12.890 5.273 179 2HG PRO 26 3HG PRO 26 1.039 12.763 4.726 180 1HD PRO 26 2HD PRO 26 -1.113 12.576 3.027 181 2HD PRO 26 3HD PRO 26 0.420 11.704 2.737 182 H GLY 27 HN GLY 27 -1.233 8.284 6.662 183 1HA GLY 27 2HA GLY 27 -2.833 7.830 8.236 184 2HA GLY 27 3HA GLY 27 -3.663 9.354 7.870 185 H THR 28 HN THR 28 -3.022 7.206 5.038 186 HA THR 28 HA THR 28 -5.928 6.727 4.976 187 HB THR 28 HB THR 28 -3.692 6.248 2.963 188 HG1 THR 28 HG1 THR 28 -4.024 8.406 3.074 189 1HG2 THR 28 2HG2 THR 28 -6.714 6.079 2.760 190 2HG2 THR 28 3HG2 THR 28 -5.603 6.016 1.370 191 3HG2 THR 28 1HG2 THR 28 -5.547 4.742 2.608 192 H ASP 29 HN ASP 29 -6.604 5.010 5.920 193 HA ASP 29 HA ASP 29 -5.152 2.690 6.733 194 1HB ASP 29 2HB ASP 29 -7.426 3.469 7.493 195 2HB ASP 29 3HB ASP 29 -8.074 2.935 5.962 196 H PHE 30 HN PHE 30 -4.621 0.931 5.613 197 HA PHE 30 HA PHE 30 -4.410 0.676 2.861 198 1HB PHE 30 2HB PHE 30 -3.602 -0.791 4.889 199 2HB PHE 30 3HB PHE 30 -5.057 -1.735 4.594 200 HD1 PHE 30 HD2 PHE 30 -5.331 -2.757 2.182 201 HD2 PHE 30 HD1 PHE 30 -1.685 -1.001 3.630 202 HE1 PHE 30 HE2 PHE 30 -4.124 -3.561 0.166 203 HE2 PHE 30 HE1 PHE 30 -0.526 -1.688 1.531 204 HZ PHE 30 HZ PHE 30 -1.694 -2.968 -0.119 205 H LYS 31 HN LYS 31 -7.373 0.121 4.877 206 HA LYS 31 HA LYS 31 -8.624 -1.389 2.704 207 1HB LYS 31 2HB LYS 31 -10.578 -1.419 3.984 208 2HB LYS 31 3HB LYS 31 -9.191 -1.695 5.061 209 1HG LYS 31 2HG LYS 31 -9.251 0.849 5.490 210 2HG LYS 31 3HG LYS 31 -10.777 0.859 4.652 211 1HD LYS 31 2HD LYS 31 -11.616 -0.848 6.297 212 2HD LYS 31 3HD LYS 31 -10.022 -0.758 7.107 213 1HE LYS 31 2HE LYS 31 -10.357 1.727 7.423 214 2HE LYS 31 3HE LYS 31 -11.967 1.594 6.720 215 1HZ LYS 31 1HNZ LYS 31 -11.016 0.255 9.162 216 2HZ LYS 31 2HNZ LYS 31 -11.975 1.592 9.114 217 3HZ LYS 31 3HNZ LYS 31 -12.556 0.151 8.554 218 H ASP 32 HN ASP 32 -8.545 1.978 3.828 219 HA ASP 32 HA ASP 32 -10.566 3.010 2.089 220 1HB ASP 32 2HB ASP 32 -8.353 4.320 3.734 221 2HB ASP 32 3HB ASP 32 -9.536 5.209 2.780 222 H ILE 33 HN ILE 33 -7.123 2.201 1.600 223 HA ILE 33 HA ILE 33 -6.425 3.939 -0.376 224 HB ILE 33 HB ILE 33 -5.883 1.004 -0.150 225 1HG1 ILE 33 2HG1 ILE 33 -4.500 3.535 0.778 226 2HG1 ILE 33 3HG1 ILE 33 -5.129 2.330 1.828 227 1HG2 ILE 33 1HG2 ILE 33 -5.354 1.879 -2.393 228 2HG2 ILE 33 2HG2 ILE 33 -4.243 3.024 -1.587 229 3HG2 ILE 33 3HG2 ILE 33 -4.009 1.256 -1.437 230 1HD1 ILE 33 3HD1 ILE 33 -3.436 0.688 0.719 231 2HD1 ILE 33 1HD1 ILE 33 -2.642 2.174 0.122 232 3HD1 ILE 33 2HD1 ILE 33 -2.844 1.898 1.858 233 HA PRO 34 HA PRO 34 -9.578 2.890 -3.417 234 1HB PRO 34 2HB PRO 34 -8.203 3.955 -5.675 235 2HB PRO 34 3HB PRO 34 -9.380 4.787 -4.636 236 1HG PRO 34 2HG PRO 34 -6.482 5.188 -4.785 237 2HG PRO 34 3HG PRO 34 -7.691 6.129 -3.871 238 1HD PRO 34 2HD PRO 34 -5.833 4.103 -2.879 239 2HD PRO 34 3HD PRO 34 -6.895 5.163 -1.950 240 H ASP 35 HN ASP 35 -9.920 1.111 -4.765 241 HA ASP 35 HA ASP 35 -7.983 -0.923 -5.044 242 1HB ASP 35 2HB ASP 35 -10.791 -0.401 -5.773 243 2HB ASP 35 3HB ASP 35 -9.938 -1.198 -7.077 244 H ASP 36 HN ASP 36 -8.500 1.970 -6.882 245 HA ASP 36 HA ASP 36 -7.312 1.168 -9.352 246 1HB ASP 36 2HB ASP 36 -8.596 3.450 -8.259 247 2HB ASP 36 3HB ASP 36 -7.091 3.917 -9.056 248 H TRP 37 HN TRP 37 -5.987 1.831 -6.234 249 HA TRP 37 HA TRP 37 -3.488 3.008 -7.187 250 1HB TRP 37 2HB TRP 37 -4.459 3.614 -5.006 251 2HB TRP 37 3HB TRP 37 -4.367 1.931 -4.509 252 HD1 TRP 37 HD TRP 37 -1.930 4.802 -5.338 253 HE1 TRP 37 HNE TRP 37 0.280 4.342 -4.106 254 HE3 TRP 37 HE TRP 37 -3.037 0.276 -3.441 255 HZ2 TRP 37 HZ1 TRP 37 1.439 2.215 -2.487 256 HZ3 TRP 37 HZ2 TRP 37 -1.367 -1.028 -2.071 257 HH2 TRP 37 HH TRP 37 0.872 -0.051 -1.616 258 H VAL 38 HN VAL 38 -1.402 1.928 -6.832 259 HA VAL 38 HA VAL 38 -1.432 -1.015 -7.219 260 HB VAL 38 HB VAL 38 -0.449 1.136 -9.154 261 1HG1 VAL 38 3HG1 VAL 38 0.150 -1.845 -9.174 262 2HG1 VAL 38 1HG1 VAL 38 0.397 -0.746 -10.550 263 3HG1 VAL 38 2HG1 VAL 38 1.325 -0.507 -9.070 264 1HG2 VAL 38 3HG2 VAL 38 -2.391 -1.197 -9.471 265 2HG2 VAL 38 1HG2 VAL 38 -2.811 0.529 -9.471 266 3HG2 VAL 38 2HG2 VAL 38 -1.848 -0.137 -10.788 267 H CYS 39 HN CYN 39 0.576 -1.986 -6.748 268 HA CYS 39 HA CYN 39 2.132 -0.588 -4.797 269 1HB CYS 39 2HB CYN 39 1.651 -2.864 -4.555 270 2HB CYS 39 3HB CYN 39 2.390 -3.287 -6.104 271 HA PRO 40 HA PRO 40 4.996 1.211 -7.780 272 1HB PRO 40 2HB PRO 40 6.920 2.196 -6.031 273 2HB PRO 40 3HB PRO 40 5.337 2.934 -6.334 274 1HG PRO 40 2HG PRO 40 6.123 1.047 -4.108 275 2HG PRO 40 3HG PRO 40 5.251 2.602 -3.949 276 1HD PRO 40 2HD PRO 40 3.999 0.203 -3.958 277 2HD PRO 40 3HD PRO 40 3.250 1.614 -4.775 278 H LEU 41 HN LEU 41 6.748 0.488 -8.900 279 HA LEU 41 HA LEU 41 8.329 -0.943 -9.664 280 1HB LEU 41 2HB LEU 41 9.239 -1.152 -6.767 281 2HB LEU 41 3HB LEU 41 10.194 -1.492 -8.208 282 HG LEU 41 HG LEU 41 9.119 1.250 -7.402 283 1HD1 LEU 41 2HD1 LEU 41 10.939 0.408 -5.960 284 2HD1 LEU 41 3HD1 LEU 41 11.945 0.111 -7.394 285 3HD1 LEU 41 1HD1 LEU 41 11.477 1.769 -6.959 286 1HD2 LEU 41 2HD2 LEU 41 10.893 0.394 -9.738 287 2HD2 LEU 41 3HD2 LEU 41 9.271 1.115 -9.852 288 3HD2 LEU 41 1HD2 LEU 41 10.619 2.074 -9.234 289 H CYS 42 HN CYN 42 5.767 -2.023 -8.926 290 HA CYS 42 HA CYN 42 6.443 -4.916 -8.718 291 1HB CYS 42 2HB CYN 42 6.028 -3.924 -6.489 292 2HB CYS 42 3HB CYN 42 4.453 -3.374 -7.063 293 H GLY 43 HN GLY 43 3.667 -2.566 -8.904 294 1HA GLY 43 2HA GLY 43 2.148 -2.299 -10.628 295 2HA GLY 43 3HA GLY 43 3.033 -3.456 -11.613 296 H VAL 44 HN VAL 44 1.986 -4.308 -8.350 297 HA VAL 44 HA VAL 44 -0.139 -6.087 -9.461 298 HB VAL 44 HB VAL 44 1.683 -6.447 -7.055 299 1HG1 VAL 44 1HG1 VAL 44 -0.572 -8.231 -8.063 300 2HG1 VAL 44 2HG1 VAL 44 0.650 -8.696 -6.863 301 3HG1 VAL 44 3HG1 VAL 44 -0.479 -7.401 -6.486 302 1HG2 VAL 44 1HG2 VAL 44 1.453 -7.774 -9.800 303 2HG2 VAL 44 2HG2 VAL 44 2.860 -6.928 -9.120 304 3HG2 VAL 44 3HG2 VAL 44 2.361 -8.489 -8.468 305 H GLY 45 HN GLY 45 -1.970 -6.427 -8.116 306 1HA GLY 45 2HA GLY 45 -3.198 -3.947 -7.403 307 2HA GLY 45 3HA GLY 45 -3.887 -5.573 -7.248 308 H LYS 46 HN LYS 46 -4.135 -3.391 -5.378 309 HA LYS 46 HA LYS 46 -2.343 -3.659 -3.200 310 1HB LYS 46 2HB LYS 46 -3.934 -2.286 -1.993 311 2HB LYS 46 3HB LYS 46 -3.602 -1.700 -3.624 312 1HG LYS 46 2HG LYS 46 -5.723 -2.217 -4.470 313 2HG LYS 46 3HG LYS 46 -6.125 -3.295 -3.128 314 1HD LYS 46 2HD LYS 46 -5.918 -0.298 -2.940 315 2HD LYS 46 3HD LYS 46 -7.378 -1.307 -3.001 316 1HE LYS 46 2HE LYS 46 -6.161 -2.558 -0.960 317 2HE LYS 46 3HE LYS 46 -5.435 -0.985 -0.738 318 1HZ LYS 46 2HNZ LYS 46 -7.868 -0.161 -0.869 319 2HZ LYS 46 3HNZ LYS 46 -8.272 -1.754 -0.663 320 3HZ LYS 46 1HNZ LYS 46 -7.381 -0.946 0.490 321 H ASP 47 HN ASP 47 -5.486 -5.205 -3.821 322 HA ASP 47 HA ASP 47 -5.716 -6.287 -1.150 323 1HB ASP 47 2HB ASP 47 -7.390 -6.297 -3.642 324 2HB ASP 47 3HB ASP 47 -7.647 -7.567 -2.445 325 H GLN 48 HN GLN 48 -3.769 -7.172 -1.062 326 HA GLN 48 HA GLN 48 -3.354 -9.976 -1.419 327 1HB GLN 48 2HB GLN 48 -2.610 -8.204 -3.663 328 2HB GLN 48 3HB GLN 48 -1.200 -9.038 -3.019 329 1HG GLN 48 2HG GLN 48 -2.154 -11.196 -3.330 330 2HG GLN 48 3HG GLN 48 -3.763 -10.543 -3.662 331 1HE2 GLN 48 2HNE GLN 48 -2.258 -11.546 -6.909 332 2HE2 GLN 48 1HNE GLN 48 -2.609 -12.385 -5.405 333 H PHE 49 HN PHE 49 -2.148 -6.697 -0.800 334 HA PHE 49 HA PHE 49 0.148 -7.335 0.694 335 1HB PHE 49 2HB PHE 49 -1.895 -5.116 0.707 336 2HB PHE 49 3HB PHE 49 -0.740 -5.069 1.922 337 HD1 PHE 49 HD2 PHE 49 -0.688 -5.482 -1.834 338 HD2 PHE 49 HD1 PHE 49 1.260 -3.997 1.731 339 HE1 PHE 49 HE2 PHE 49 1.179 -4.625 -3.190 340 HE2 PHE 49 HE1 PHE 49 3.049 -3.038 0.341 341 HZ PHE 49 HZ PHE 49 3.043 -3.381 -2.091 342 H GLU 50 HN GLU 50 0.479 -7.738 2.867 343 HA GLU 50 HA GLU 50 -1.848 -8.879 4.410 344 1HB GLU 50 2HB GLU 50 1.073 -9.714 4.157 345 2HB GLU 50 3HB GLU 50 0.110 -10.131 5.558 346 1HG GLU 50 2HG GLU 50 -1.624 -11.118 3.915 347 2HG GLU 50 3HG GLU 50 -0.401 -10.917 2.649 348 H GLU 51 HN GLU 51 -1.895 -8.406 6.715 349 HA GLU 51 HA GLU 51 -1.024 -5.752 7.297 350 1HB GLU 51 2HB GLU 51 -3.125 -6.625 8.093 351 2HB GLU 51 3HB GLU 51 -2.338 -8.001 8.879 352 1HG GLU 51 2HG GLU 51 -1.344 -6.744 10.470 353 2HG GLU 51 3HG GLU 51 -1.595 -5.176 9.681 354 H VAL 52 HN VAL 52 0.695 -5.023 8.534 355 HA VAL 52 HA VAL 52 2.738 -7.001 9.303 356 HB VAL 52 HB VAL 52 2.732 -4.126 8.381 357 1HG1 VAL 52 2HG1 VAL 52 4.857 -5.355 10.206 358 2HG1 VAL 52 3HG1 VAL 52 5.070 -3.880 9.232 359 3HG1 VAL 52 1HG1 VAL 52 3.878 -3.908 10.537 360 1HG2 VAL 52 3HG2 VAL 52 3.236 -6.136 6.963 361 2HG2 VAL 52 1HG2 VAL 52 4.499 -4.882 7.009 362 3HG2 VAL 52 2HG2 VAL 52 4.694 -6.390 7.933 363 H GLU 53 HN GLU 53 2.349 -7.743 11.233 364 HA GLU 53 HA GLU 53 1.019 -6.393 13.317 365 1HB GLU 53 2HB GLU 53 1.660 -8.374 14.592 366 2HB GLU 53 3HB GLU 53 0.994 -8.794 13.014 367 1HG GLU 53 2HG GLU 53 3.470 -9.010 12.230 368 2HG GLU 53 3HG GLU 53 3.861 -8.904 13.938 369 H GLU 54 HN GLU 54 2.156 -4.450 13.268 370 HA GLU 54 HA GLU 54 4.786 -3.985 14.279 371 1HB GLU 54 2HB GLU 54 2.360 -2.260 14.915 372 2HB GLU 54 3HB GLU 54 4.064 -1.795 14.866 373 1HG GLU 54 2HG GLU 54 4.005 -2.496 12.370 374 2HG GLU 54 3HG GLU 54 2.234 -2.479 12.528 No H/Q in entry = 374 Start of MODEL 17 1 1H MET 1 1HN MET 1 -5.279 -1.169 9.938 2 2H MET 1 2HN MET 1 -6.200 0.227 9.691 3 3H MET 1 3HN MET 1 -5.036 -0.182 8.677 4 HA MET 1 HA MET 1 -4.538 0.609 11.462 5 1HB MET 1 2HB MET 1 -2.916 2.257 10.235 6 2HB MET 1 3HB MET 1 -3.785 1.808 8.782 7 1HG MET 1 2HG MET 1 -5.860 2.550 9.908 8 2HG MET 1 3HG MET 1 -4.943 3.073 11.311 9 1HE MET 1 2HE MET 1 -3.482 5.195 11.477 10 2HE MET 1 3HE MET 1 -2.383 4.554 10.233 11 3HE MET 1 1HE MET 1 -3.021 6.203 10.093 12 H LYS 2 HN LYS 2 -2.060 0.919 11.514 13 HA LYS 2 HA LYS 2 0.061 0.096 11.555 14 1HB LYS 2 2HB LYS 2 -1.086 -2.619 10.995 15 2HB LYS 2 3HB LYS 2 0.386 -2.213 11.897 16 1HG LYS 2 2HG LYS 2 -1.075 -1.179 13.677 17 2HG LYS 2 3HG LYS 2 -2.496 -1.800 12.767 18 1HD LYS 2 2HD LYS 2 -1.061 -4.015 12.701 19 2HD LYS 2 3HD LYS 2 -0.275 -3.336 14.122 20 1HE LYS 2 2HE LYS 2 -3.305 -3.747 13.730 21 2HE LYS 2 3HE LYS 2 -2.264 -4.963 14.461 22 1HZ LYS 2 3HNZ LYS 2 -2.635 -2.235 15.510 23 2HZ LYS 2 1HNZ LYS 2 -3.335 -3.599 16.124 24 3HZ LYS 2 2HNZ LYS 2 -1.696 -3.406 16.184 25 H LYS 3 HN LYS 3 1.634 -1.465 10.342 26 HA LYS 3 HA LYS 3 1.639 -0.504 7.591 27 1HB LYS 3 2HB LYS 3 3.519 -2.251 9.180 28 2HB LYS 3 3HB LYS 3 3.855 -1.557 7.583 29 1HG LYS 3 2HG LYS 3 3.488 0.715 8.468 30 2HG LYS 3 3HG LYS 3 3.152 0.090 10.063 31 1HD LYS 3 2HD LYS 3 5.436 -1.187 9.877 32 2HD LYS 3 3HD LYS 3 5.842 0.047 8.678 33 1HE LYS 3 2HE LYS 3 5.536 1.814 10.362 34 2HE LYS 3 3HE LYS 3 4.787 0.671 11.496 35 1HZ LYS 3 2HNZ LYS 3 6.901 -0.528 11.582 36 2HZ LYS 3 3HNZ LYS 3 7.610 0.608 10.690 37 3HZ LYS 3 1HNZ LYS 3 6.993 0.998 12.171 38 H TYR 4 HN TYR 4 2.270 -2.089 5.874 39 HA TYR 4 HA TYR 4 0.991 -4.743 6.209 40 1HB TYR 4 2HB TYR 4 0.175 -2.867 3.953 41 2HB TYR 4 3HB TYR 4 -0.175 -4.561 4.024 42 HD1 TYR 4 HD1 TYR 4 -0.800 -1.370 5.912 43 HD2 TYR 4 HD2 TYR 4 -2.088 -5.320 4.973 44 HE1 TYR 4 HE1 TYR 4 -2.888 -0.968 7.183 45 HE2 TYR 4 HE2 TYR 4 -4.012 -5.071 6.602 46 HH TYR 4 HOH TYR 4 -5.143 -1.676 7.128 47 H THR 5 HN THR 5 1.857 -6.364 4.985 48 HA THR 5 HA THR 5 4.346 -5.809 3.517 49 HB THR 5 HB THR 5 2.840 -8.398 4.058 50 HG1 THR 5 HG1 THR 5 5.150 -7.232 5.228 51 1HG2 THR 5 1HG2 THR 5 5.609 -7.930 2.864 52 2HG2 THR 5 2HG2 THR 5 5.035 -9.477 3.526 53 3HG2 THR 5 3HG2 THR 5 4.228 -8.778 2.124 54 H CYS 6 HN CYN 6 4.642 -6.040 1.353 55 HA CYS 6 HA CYN 6 2.363 -5.681 -0.438 56 1HB CYS 6 2HB CYN 6 4.537 -4.445 -0.551 57 2HB CYS 6 3HB CYN 6 5.323 -5.980 -0.985 58 H THR 7 HN THR 7 1.572 -7.311 -1.796 59 HA THR 7 HA THR 7 1.443 -9.796 -0.933 60 HB THR 7 HB THR 7 1.278 -9.004 -3.871 61 HG1 THR 7 HG1 THR 7 -0.844 -8.354 -3.190 62 1HG2 THR 7 2HG2 THR 7 0.887 -11.430 -3.371 63 2HG2 THR 7 3HG2 THR 7 -0.359 -10.961 -2.190 64 3HG2 THR 7 1HG2 THR 7 -0.579 -10.610 -3.914 65 H VAL 8 HN VAL 8 3.651 -8.956 -3.704 66 HA VAL 8 HA VAL 8 5.394 -11.195 -2.970 67 HB VAL 8 HB VAL 8 3.507 -12.276 -4.120 68 1HG1 VAL 8 2HG1 VAL 8 2.814 -10.482 -5.653 69 2HG1 VAL 8 3HG1 VAL 8 4.298 -10.706 -6.602 70 3HG1 VAL 8 1HG1 VAL 8 3.100 -12.010 -6.500 71 1HG2 VAL 8 2HG2 VAL 8 5.812 -13.225 -4.227 72 2HG2 VAL 8 3HG2 VAL 8 4.711 -13.723 -5.522 73 3HG2 VAL 8 1HG2 VAL 8 5.972 -12.536 -5.857 74 H CYS 9 HN CYN 9 5.697 -8.381 -3.070 75 HA CYS 9 HA CYN 9 7.765 -8.127 -5.226 76 1HB CYS 9 2HB CYN 9 6.419 -5.786 -3.953 77 2HB CYS 9 3HB CYN 9 7.221 -5.939 -5.520 78 H GLY 10 HN GLY 10 6.915 -6.556 -2.127 79 1HA GLY 10 2HA GLY 10 8.246 -7.052 -0.116 80 2HA GLY 10 3HA GLY 10 9.707 -7.026 -1.106 81 H TYR 11 HN TYR 11 6.856 -4.839 -0.672 82 HA TYR 11 HA TYR 11 8.670 -2.597 0.060 83 1HB TYR 11 2HB TYR 11 8.112 -2.641 -2.404 84 2HB TYR 11 3HB TYR 11 6.420 -2.452 -1.988 85 HD1 TYR 11 HD2 TYR 11 9.721 -0.844 -2.188 86 HD2 TYR 11 HD1 TYR 11 5.595 -0.271 -1.069 87 HE1 TYR 11 HE2 TYR 11 10.076 1.610 -2.111 88 HE2 TYR 11 HE1 TYR 11 5.955 2.170 -0.976 89 HH TYR 11 HOH TYR 11 7.444 3.886 -1.285 90 H ILE 12 HN ILE 12 7.957 -2.865 2.263 91 HA ILE 12 HA ILE 12 5.272 -3.260 2.974 92 HB ILE 12 HB ILE 12 7.694 -2.270 4.462 93 1HG1 ILE 12 2HG1 ILE 12 5.750 -4.585 4.898 94 2HG1 ILE 12 3HG1 ILE 12 7.176 -4.694 3.861 95 1HG2 ILE 12 1HG2 ILE 12 4.874 -2.311 5.622 96 2HG2 ILE 12 2HG2 ILE 12 6.355 -2.189 6.587 97 3HG2 ILE 12 3HG2 ILE 12 5.933 -0.888 5.501 98 1HD1 ILE 12 1HD1 ILE 12 8.633 -4.211 5.813 99 2HD1 ILE 12 2HD1 ILE 12 7.199 -4.221 6.870 100 3HD1 ILE 12 3HD1 ILE 12 7.663 -5.687 6.000 101 H TYR 13 HN TYR 13 3.532 -2.049 3.114 102 HA TYR 13 HA TYR 13 3.601 0.816 2.376 103 1HB TYR 13 2HB TYR 13 1.877 -0.613 1.419 104 2HB TYR 13 3HB TYR 13 1.381 -1.146 3.028 105 HD1 TYR 13 HD1 TYR 13 0.169 0.394 4.567 106 HD2 TYR 13 HD2 TYR 13 0.754 1.257 0.437 107 HE1 TYR 13 HE1 TYR 13 -1.423 2.279 4.702 108 HE2 TYR 13 HE2 TYR 13 -0.314 3.513 0.743 109 HH TYR 13 HOH TYR 13 -2.258 4.250 3.684 110 H ASN 14 HN ASN 14 3.331 2.448 3.886 111 HA ASN 14 HA ASN 14 2.764 1.710 6.719 112 1HB ASN 14 2HB ASN 14 5.171 2.351 6.348 113 2HB ASN 14 3HB ASN 14 4.618 3.915 5.760 114 1HD2 ASN 14 2HND ASN 14 5.401 4.464 9.292 115 2HD2 ASN 14 1HND ASN 14 6.001 4.621 7.643 116 HA PRO 15 HA PRO 15 -0.575 4.338 5.456 117 1HB PRO 15 2HB PRO 15 -2.064 4.280 7.857 118 2HB PRO 15 3HB PRO 15 -2.172 3.075 6.573 119 1HG PRO 15 2HG PRO 15 -0.780 2.860 9.175 120 2HG PRO 15 3HG PRO 15 -1.477 1.628 8.079 121 1HD PRO 15 2HD PRO 15 1.260 2.276 8.420 122 2HD PRO 15 3HD PRO 15 0.659 1.264 7.136 123 H GLU 16 HN GLU 16 1.175 4.824 8.515 124 HA GLU 16 HA GLU 16 0.233 7.449 9.004 125 1HB GLU 16 2HB GLU 16 2.881 6.119 9.686 126 2HB GLU 16 3HB GLU 16 2.253 7.620 10.350 127 1HG GLU 16 2HG GLU 16 0.113 6.160 10.947 128 2HG GLU 16 3HG GLU 16 1.205 4.782 10.723 129 H ASP 17 HN ASP 17 2.576 6.165 6.760 130 HA ASP 17 HA ASP 17 3.650 8.855 6.025 131 1HB ASP 17 2HB ASP 17 4.263 6.028 5.126 132 2HB ASP 17 3HB ASP 17 4.994 7.464 4.406 133 H GLY 18 HN GLY 18 1.455 6.282 4.927 134 1HA GLY 18 2HA GLY 18 0.084 6.097 3.197 135 2HA GLY 18 3HA GLY 18 0.202 7.840 2.877 136 H ASP 19 HN ASP 19 0.325 7.434 0.635 137 HA ASP 19 HA ASP 19 3.040 7.066 -0.373 138 1HB ASP 19 2HB ASP 19 0.926 5.038 -0.814 139 2HB ASP 19 3HB ASP 19 1.537 5.671 -2.327 140 HA PRO 20 HA PRO 20 0.043 10.459 -1.571 141 1HB PRO 20 2HB PRO 20 1.708 12.641 -1.179 142 2HB PRO 20 3HB PRO 20 0.643 11.910 0.061 143 1HG PRO 20 2HG PRO 20 3.595 11.423 -0.388 144 2HG PRO 20 3HG PRO 20 2.750 11.698 1.164 145 1HD PRO 20 2HD PRO 20 3.406 9.207 0.349 146 2HD PRO 20 3HD PRO 20 1.835 9.509 1.142 147 H ASP 21 HN ASP 21 3.498 10.055 -2.516 148 HA ASP 21 HA ASP 21 3.526 11.565 -4.828 149 1HB ASP 21 2HB ASP 21 4.895 8.908 -4.174 150 2HB ASP 21 3HB ASP 21 5.425 10.089 -5.377 151 H ASN 22 HN ASN 22 2.101 8.452 -4.133 152 HA ASN 22 HA ASN 22 1.540 7.808 -6.969 153 1HB ASN 22 2HB ASN 22 0.880 6.216 -4.460 154 2HB ASN 22 3HB ASN 22 0.872 5.641 -6.117 155 1HD2 ASN 22 2HND ASN 22 4.353 5.793 -3.963 156 2HD2 ASN 22 1HND ASN 22 2.981 6.726 -3.460 157 H GLY 23 HN GLY 23 0.083 8.958 -4.066 158 1HA GLY 23 2HA GLY 23 -1.762 10.518 -4.705 159 2HA GLY 23 3HA GLY 23 -2.608 9.117 -5.380 160 H VAL 24 HN VAL 24 -0.974 8.025 -2.657 161 HA VAL 24 HA VAL 24 -3.550 7.930 -1.180 162 HB VAL 24 HB VAL 24 -0.962 6.378 -1.005 163 1HG1 VAL 24 2HG1 VAL 24 -3.532 6.090 0.580 164 2HG1 VAL 24 3HG1 VAL 24 -2.263 4.853 0.493 165 3HG1 VAL 24 1HG1 VAL 24 -1.905 6.426 1.226 166 1HG2 VAL 24 2HG2 VAL 24 -2.377 5.883 -2.999 167 2HG2 VAL 24 3HG2 VAL 24 -2.322 4.517 -1.870 168 3HG2 VAL 24 1HG2 VAL 24 -3.756 5.567 -1.929 169 H ASN 25 HN ASN 25 -3.830 9.526 0.275 170 HA ASN 25 HA ASN 25 -1.689 11.208 1.163 171 1HB ASN 25 2HB ASN 25 -4.611 10.846 1.921 172 2HB ASN 25 3HB ASN 25 -3.569 11.857 2.912 173 1HD2 ASN 25 2HND ASN 25 -4.196 13.118 -0.973 174 2HD2 ASN 25 1HND ASN 25 -4.113 11.399 -0.679 175 HA PRO 26 HA PRO 26 -0.300 8.966 4.794 176 1HB PRO 26 2HB PRO 26 0.039 11.033 6.634 177 2HB PRO 26 3HB PRO 26 1.223 10.501 5.422 178 1HG PRO 26 2HG PRO 26 -0.647 12.845 5.302 179 2HG PRO 26 3HG PRO 26 1.031 12.683 4.679 180 1HD PRO 26 2HD PRO 26 -1.224 12.538 3.086 181 2HD PRO 26 3HD PRO 26 0.301 11.685 2.705 182 H GLY 27 HN GLY 27 -1.133 8.180 6.641 183 1HA GLY 27 2HA GLY 27 -2.666 7.633 8.236 184 2HA GLY 27 3HA GLY 27 -3.541 9.150 7.954 185 H THR 28 HN THR 28 -2.956 7.017 5.078 186 HA THR 28 HA THR 28 -5.875 6.517 5.103 187 HB THR 28 HB THR 28 -3.699 6.111 2.994 188 HG1 THR 28 HG1 THR 28 -4.064 8.282 3.198 189 1HG2 THR 28 1HG2 THR 28 -6.727 5.959 2.887 190 2HG2 THR 28 2HG2 THR 28 -5.666 5.903 1.463 191 3HG2 THR 28 3HG2 THR 28 -5.575 4.612 2.680 192 H ASP 29 HN ASP 29 -6.549 4.633 5.879 193 HA ASP 29 HA ASP 29 -4.725 2.514 6.597 194 1HB ASP 29 2HB ASP 29 -7.077 3.045 7.508 195 2HB ASP 29 3HB ASP 29 -7.692 2.226 6.103 196 H PHE 30 HN PHE 30 -4.385 0.664 5.474 197 HA PHE 30 HA PHE 30 -4.273 0.602 2.662 198 1HB PHE 30 2HB PHE 30 -3.225 -0.830 4.540 199 2HB PHE 30 3HB PHE 30 -4.606 -1.916 4.317 200 HD1 PHE 30 HD1 PHE 30 -5.001 -2.624 1.762 201 HD2 PHE 30 HD2 PHE 30 -1.309 -1.081 3.352 202 HE1 PHE 30 HE1 PHE 30 -3.764 -3.457 -0.230 203 HE2 PHE 30 HE2 PHE 30 -0.078 -2.067 1.433 204 HZ PHE 30 HZ PHE 30 -1.322 -3.314 -0.267 205 H LYS 31 HN LYS 31 -6.980 -0.199 4.821 206 HA LYS 31 HA LYS 31 -8.432 -1.638 2.751 207 1HB LYS 31 2HB LYS 31 -10.291 -1.682 4.181 208 2HB LYS 31 3HB LYS 31 -8.829 -2.051 5.119 209 1HG LYS 31 2HG LYS 31 -8.753 0.363 5.798 210 2HG LYS 31 3HG LYS 31 -10.297 0.614 4.968 211 1HD LYS 31 2HD LYS 31 -11.317 -1.133 6.359 212 2HD LYS 31 3HD LYS 31 -9.805 -1.311 7.268 213 1HE LYS 31 2HE LYS 31 -10.845 1.513 7.010 214 2HE LYS 31 3HE LYS 31 -11.896 0.439 7.931 215 1HZ LYS 31 1HNZ LYS 31 -9.025 0.859 8.506 216 2HZ LYS 31 2HNZ LYS 31 -10.264 1.624 9.263 217 3HZ LYS 31 3HNZ LYS 31 -10.087 -0.010 9.403 218 H ASP 32 HN ASP 32 -8.112 1.721 3.754 219 HA ASP 32 HA ASP 32 -10.447 2.670 2.310 220 1HB ASP 32 2HB ASP 32 -8.147 4.208 3.579 221 2HB ASP 32 3HB ASP 32 -9.708 4.860 3.076 222 H ILE 33 HN ILE 33 -7.036 2.004 1.554 223 HA ILE 33 HA ILE 33 -6.475 3.916 -0.313 224 HB ILE 33 HB ILE 33 -5.800 1.022 -0.165 225 1HG1 ILE 33 2HG1 ILE 33 -4.502 3.572 0.768 226 2HG1 ILE 33 3HG1 ILE 33 -5.058 2.285 1.758 227 1HG2 ILE 33 2HG2 ILE 33 -5.366 1.916 -2.441 228 2HG2 ILE 33 3HG2 ILE 33 -4.274 3.099 -1.669 229 3HG2 ILE 33 1HG2 ILE 33 -3.949 1.346 -1.572 230 1HD1 ILE 33 2HD1 ILE 33 -3.306 0.775 0.553 231 2HD1 ILE 33 3HD1 ILE 33 -2.592 2.323 0.019 232 3HD1 ILE 33 1HD1 ILE 33 -2.761 1.952 1.746 233 HA PRO 34 HA PRO 34 -9.561 2.848 -3.484 234 1HB PRO 34 2HB PRO 34 -7.793 3.882 -5.569 235 2HB PRO 34 3HB PRO 34 -9.320 4.573 -4.977 236 1HG PRO 34 2HG PRO 34 -6.708 5.604 -4.568 237 2HG PRO 34 3HG PRO 34 -8.159 6.052 -3.627 238 1HD PRO 34 2HD PRO 34 -5.929 4.199 -2.849 239 2HD PRO 34 3HD PRO 34 -7.018 5.162 -1.841 240 H ASP 35 HN ASP 35 -9.765 0.888 -4.692 241 HA ASP 35 HA ASP 35 -7.439 -0.793 -4.764 242 1HB ASP 35 2HB ASP 35 -10.393 -1.043 -5.089 243 2HB ASP 35 3HB ASP 35 -9.420 -2.125 -6.049 244 H ASP 36 HN ASP 36 -8.333 1.638 -6.879 245 HA ASP 36 HA ASP 36 -7.097 0.450 -9.223 246 1HB ASP 36 2HB ASP 36 -7.230 2.746 -10.077 247 2HB ASP 36 3HB ASP 36 -8.797 2.188 -9.480 248 H TRP 37 HN TRP 37 -5.901 1.609 -6.198 249 HA TRP 37 HA TRP 37 -3.532 2.887 -7.148 250 1HB TRP 37 2HB TRP 37 -4.369 3.249 -4.901 251 2HB TRP 37 3HB TRP 37 -4.217 1.536 -4.544 252 HD1 TRP 37 HD TRP 37 -1.948 4.616 -4.968 253 HE1 TRP 37 HNE TRP 37 0.240 4.145 -3.709 254 HE3 TRP 37 HE TRP 37 -2.662 -0.306 -4.030 255 HZ2 TRP 37 HZ1 TRP 37 1.500 1.886 -2.380 256 HZ3 TRP 37 HZ2 TRP 37 -0.952 -1.638 -2.753 257 HH2 TRP 37 HH TRP 37 1.103 -0.529 -1.906 258 H VAL 38 HN VAL 38 -1.456 2.157 -7.165 259 HA VAL 38 HA VAL 38 -0.942 -0.759 -7.657 260 HB VAL 38 HB VAL 38 0.015 1.656 -9.244 261 1HG1 VAL 38 1HG1 VAL 38 1.703 -0.218 -9.204 262 2HG1 VAL 38 2HG1 VAL 38 0.445 -1.287 -9.871 263 3HG1 VAL 38 3HG1 VAL 38 1.020 0.100 -10.802 264 1HG2 VAL 38 2HG2 VAL 38 -1.991 -0.550 -9.899 265 2HG2 VAL 38 3HG2 VAL 38 -2.321 1.190 -9.770 266 3HG2 VAL 38 1HG2 VAL 38 -1.329 0.583 -11.096 267 H CYS 39 HN CYN 39 1.249 -1.516 -6.931 268 HA CYS 39 HA CYN 39 2.402 0.353 -4.983 269 1HB CYS 39 2HB CYN 39 3.891 -1.535 -4.393 270 2HB CYS 39 3HB CYN 39 2.177 -1.653 -4.015 271 HA PRO 40 HA PRO 40 5.272 1.691 -8.069 272 1HB PRO 40 2HB PRO 40 6.902 3.343 -6.628 273 2HB PRO 40 3HB PRO 40 5.184 3.699 -6.932 274 1HG PRO 40 2HG PRO 40 6.402 2.392 -4.474 275 2HG PRO 40 3HG PRO 40 5.286 3.786 -4.519 276 1HD PRO 40 2HD PRO 40 4.404 1.240 -4.094 277 2HD PRO 40 3HD PRO 40 3.449 2.409 -5.062 278 H LEU 41 HN LEU 41 7.165 0.977 -8.959 279 HA LEU 41 HA LEU 41 8.968 -0.273 -9.328 280 1HB LEU 41 2HB LEU 41 9.925 1.439 -7.779 281 2HB LEU 41 3HB LEU 41 9.735 0.307 -6.438 282 HG LEU 41 HG LEU 41 11.409 -1.199 -7.409 283 1HD1 LEU 41 3HD1 LEU 41 11.506 0.783 -9.725 284 2HD1 LEU 41 1HD1 LEU 41 12.711 -0.485 -9.420 285 3HD1 LEU 41 2HD1 LEU 41 11.052 -0.938 -9.810 286 1HD2 LEU 41 2HD2 LEU 41 12.128 0.672 -5.984 287 2HD2 LEU 41 3HD2 LEU 41 13.352 0.244 -7.191 288 3HD2 LEU 41 1HD2 LEU 41 12.345 1.689 -7.425 289 H CYS 42 HN CYN 42 6.543 -1.538 -8.458 290 HA CYS 42 HA CYN 42 7.577 -4.174 -7.480 291 1HB CYS 42 2HB CYN 42 5.075 -2.596 -6.954 292 2HB CYS 42 3HB CYN 42 5.150 -4.350 -6.755 293 H GLY 43 HN GLY 43 4.291 -3.674 -8.560 294 1HA GLY 43 2HA GLY 43 3.996 -4.370 -11.156 295 2HA GLY 43 3HA GLY 43 4.694 -5.846 -10.454 296 H VAL 44 HN VAL 44 1.813 -4.214 -10.966 297 HA VAL 44 HA VAL 44 -0.303 -4.607 -10.452 298 HB VAL 44 HB VAL 44 0.673 -7.092 -9.891 299 1HG1 VAL 44 2HG1 VAL 44 0.718 -6.497 -7.337 300 2HG1 VAL 44 3HG1 VAL 44 -1.045 -6.632 -7.442 301 3HG1 VAL 44 1HG1 VAL 44 -0.036 -7.999 -7.884 302 1HG2 VAL 44 2HG2 VAL 44 -1.342 -6.608 -11.119 303 2HG2 VAL 44 3HG2 VAL 44 -1.659 -7.819 -9.868 304 3HG2 VAL 44 1HG2 VAL 44 -2.192 -6.144 -9.630 305 H GLY 45 HN GLY 45 -1.648 -4.826 -8.022 306 1HA GLY 45 2HA GLY 45 -0.509 -2.610 -6.361 307 2HA GLY 45 3HA GLY 45 -2.162 -2.564 -7.014 308 H LYS 46 HN LYS 46 -3.572 -3.108 -5.519 309 HA LYS 46 HA LYS 46 -2.778 -4.679 -3.156 310 1HB LYS 46 2HB LYS 46 -5.545 -3.721 -3.821 311 2HB LYS 46 3HB LYS 46 -4.802 -4.008 -2.226 312 1HG LYS 46 2HG LYS 46 -3.520 -1.906 -2.481 313 2HG LYS 46 3HG LYS 46 -4.190 -1.745 -4.135 314 1HD LYS 46 2HD LYS 46 -5.567 -0.339 -2.907 315 2HD LYS 46 3HD LYS 46 -6.467 -1.822 -3.218 316 1HE LYS 46 2HE LYS 46 -5.831 -2.611 -0.878 317 2HE LYS 46 3HE LYS 46 -5.226 -0.996 -0.599 318 1HZ LYS 46 2HNZ LYS 46 -7.487 -0.150 -1.150 319 2HZ LYS 46 3HNZ LYS 46 -8.015 -1.640 -1.434 320 3HZ LYS 46 1HNZ LYS 46 -7.523 -1.181 0.117 321 H ASP 47 HN ASP 47 -4.275 -6.457 -2.467 322 HA ASP 47 HA ASP 47 -6.086 -7.686 -4.342 323 1HB ASP 47 2HB ASP 47 -4.850 -9.946 -4.238 324 2HB ASP 47 3HB ASP 47 -4.269 -8.725 -5.371 325 H GLN 48 HN GLN 48 -4.123 -9.072 -1.760 326 HA GLN 48 HA GLN 48 -6.481 -9.273 0.042 327 1HB GLN 48 2HB GLN 48 -5.089 -11.344 -1.197 328 2HB GLN 48 3HB GLN 48 -4.207 -11.184 0.320 329 1HG GLN 48 2HG GLN 48 -5.874 -12.757 0.784 330 2HG GLN 48 3HG GLN 48 -6.535 -11.274 1.479 331 1HE2 GLN 48 2HNE GLN 48 -9.338 -11.289 -0.754 332 2HE2 GLN 48 1HNE GLN 48 -8.523 -10.457 0.558 333 H PHE 49 HN PHE 49 -2.979 -8.798 -0.255 334 HA PHE 49 HA PHE 49 -1.352 -8.051 1.048 335 1HB PHE 49 2HB PHE 49 -1.771 -5.991 2.444 336 2HB PHE 49 3HB PHE 49 -2.257 -5.909 0.776 337 HD1 PHE 49 HD2 PHE 49 -3.688 -6.580 4.198 338 HD2 PHE 49 HD1 PHE 49 -4.588 -5.657 0.122 339 HE1 PHE 49 HE2 PHE 49 -5.880 -5.697 4.907 340 HE2 PHE 49 HE1 PHE 49 -6.852 -4.904 0.798 341 HZ PHE 49 HZ PHE 49 -7.471 -4.836 3.207 342 H GLU 50 HN GLU 50 -0.542 -7.602 3.431 343 HA GLU 50 HA GLU 50 -1.956 -9.290 5.418 344 1HB GLU 50 2HB GLU 50 1.019 -9.484 4.739 345 2HB GLU 50 3HB GLU 50 0.235 -10.212 6.133 346 1HG GLU 50 2HG GLU 50 -1.244 -11.505 4.510 347 2HG GLU 50 3HG GLU 50 -0.223 -10.895 3.196 348 H GLU 51 HN GLU 51 -1.808 -8.322 7.491 349 HA GLU 51 HA GLU 51 -0.827 -5.589 7.595 350 1HB GLU 51 2HB GLU 51 -2.970 -6.161 8.638 351 2HB GLU 51 3HB GLU 51 -2.208 -7.480 9.562 352 1HG GLU 51 2HG GLU 51 -0.914 -6.013 10.784 353 2HG GLU 51 3HG GLU 51 -1.407 -4.571 9.901 354 H VAL 52 HN VAL 52 1.003 -4.950 8.678 355 HA VAL 52 HA VAL 52 2.984 -6.989 9.547 356 HB VAL 52 HB VAL 52 3.067 -4.184 8.390 357 1HG1 VAL 52 3HG1 VAL 52 5.264 -5.568 9.973 358 2HG1 VAL 52 1HG1 VAL 52 5.507 -4.157 8.910 359 3HG1 VAL 52 2HG1 VAL 52 4.478 -4.009 10.339 360 1HG2 VAL 52 3HG2 VAL 52 3.158 -6.198 6.954 361 2HG2 VAL 52 1HG2 VAL 52 4.564 -5.112 6.842 362 3HG2 VAL 52 2HG2 VAL 52 4.685 -6.646 7.745 363 H GLU 53 HN GLU 53 2.689 -7.346 11.665 364 HA GLU 53 HA GLU 53 1.436 -5.563 13.436 365 1HB GLU 53 2HB GLU 53 2.038 -7.251 15.080 366 2HB GLU 53 3HB GLU 53 1.180 -7.887 13.674 367 1HG GLU 53 2HG GLU 53 3.389 -8.785 12.799 368 2HG GLU 53 3HG GLU 53 4.158 -8.194 14.276 369 H GLU 54 HN GLU 54 3.220 -3.996 12.546 370 HA GLU 54 HA GLU 54 4.839 -3.260 14.927 371 1HB GLU 54 2HB GLU 54 5.104 -2.075 12.135 372 2HB GLU 54 3HB GLU 54 6.068 -1.726 13.583 373 1HG GLU 54 2HG GLU 54 6.670 -4.276 13.469 374 2HG GLU 54 3HG GLU 54 6.140 -4.189 11.809 No H/Q in entry = 374 Start of MODEL 18 1 1H MET 1 1HN MET 1 -5.981 -0.868 9.421 2 2H MET 1 2HN MET 1 -6.840 0.572 9.200 3 3H MET 1 3HN MET 1 -5.752 0.109 8.133 4 HA MET 1 HA MET 1 -5.216 0.949 10.915 5 1HB MET 1 2HB MET 1 -3.416 2.383 9.605 6 2HB MET 1 3HB MET 1 -4.365 1.967 8.199 7 1HG MET 1 2HG MET 1 -6.329 3.008 9.485 8 2HG MET 1 3HG MET 1 -5.176 3.431 10.748 9 1HE MET 1 1HE MET 1 -5.553 5.935 10.859 10 2HE MET 1 2HE MET 1 -5.712 6.990 9.441 11 3HE MET 1 3HE MET 1 -6.927 5.723 9.740 12 H LYS 2 HN LYS 2 -2.610 1.153 10.919 13 HA LYS 2 HA LYS 2 -0.677 0.163 11.227 14 1HB LYS 2 2HB LYS 2 -1.948 -2.543 10.775 15 2HB LYS 2 3HB LYS 2 -0.466 -2.135 11.659 16 1HG LYS 2 2HG LYS 2 -2.100 -0.604 13.090 17 2HG LYS 2 3HG LYS 2 -3.350 -1.700 12.427 18 1HD LYS 2 2HD LYS 2 -1.727 -3.602 13.153 19 2HD LYS 2 3HD LYS 2 -0.880 -2.334 14.073 20 1HE LYS 2 2HE LYS 2 -3.193 -1.802 15.115 21 2HE LYS 2 3HE LYS 2 -3.769 -3.291 14.330 22 1HZ LYS 2 1HNZ LYS 2 -1.543 -3.137 16.266 23 2HZ LYS 2 2HNZ LYS 2 -3.069 -3.665 16.617 24 3HZ LYS 2 3HNZ LYS 2 -2.123 -4.509 15.559 25 H LYS 3 HN LYS 3 1.067 -1.199 10.220 26 HA LYS 3 HA LYS 3 1.205 -0.574 7.396 27 1HB LYS 3 2HB LYS 3 3.073 -2.021 9.307 28 2HB LYS 3 3HB LYS 3 3.457 -1.596 7.628 29 1HG LYS 3 2HG LYS 3 3.048 0.786 8.140 30 2HG LYS 3 3HG LYS 3 2.576 0.406 9.749 31 1HD LYS 3 2HD LYS 3 4.745 1.230 9.904 32 2HD LYS 3 3HD LYS 3 4.810 -0.502 10.272 33 1HE LYS 3 2HE LYS 3 5.757 -0.987 8.078 34 2HE LYS 3 3HE LYS 3 5.475 0.674 7.534 35 1HZ LYS 3 2HNZ LYS 3 7.015 1.430 9.195 36 2HZ LYS 3 3HNZ LYS 3 7.320 -0.116 9.676 37 3HZ LYS 3 1HNZ LYS 3 7.744 0.378 8.158 38 H TYR 4 HN TYR 4 1.851 -2.165 5.855 39 HA TYR 4 HA TYR 4 0.758 -4.872 6.240 40 1HB TYR 4 2HB TYR 4 -0.370 -2.806 4.345 41 2HB TYR 4 3HB TYR 4 -0.332 -4.470 3.813 42 HD1 TYR 4 HD1 TYR 4 -1.627 -2.355 6.641 43 HD2 TYR 4 HD2 TYR 4 -2.028 -5.940 4.329 44 HE1 TYR 4 HE1 TYR 4 -3.337 -3.156 8.190 45 HE2 TYR 4 HE2 TYR 4 -3.932 -6.654 5.765 46 HH TYR 4 HOH TYR 4 -4.540 -5.192 8.847 47 H THR 5 HN THR 5 1.845 -6.444 5.058 48 HA THR 5 HA THR 5 4.144 -5.679 3.444 49 HB THR 5 HB THR 5 2.941 -8.443 3.810 50 HG1 THR 5 HG1 THR 5 4.136 -8.528 5.712 51 1HG2 THR 5 1HG2 THR 5 5.808 -7.452 3.404 52 2HG2 THR 5 2HG2 THR 5 5.351 -9.126 3.789 53 3HG2 THR 5 3HG2 THR 5 4.830 -8.414 2.271 54 H CYS 6 HN CYN 6 4.472 -6.309 1.240 55 HA CYS 6 HA CYN 6 2.066 -6.329 -0.518 56 1HB CYS 6 2HB CYN 6 3.879 -4.602 -0.735 57 2HB CYS 6 3HB CYN 6 4.983 -5.897 -1.211 58 H THR 7 HN THR 7 5.054 -8.089 0.276 59 HA THR 7 HA THR 7 5.508 -10.242 0.383 60 HB THR 7 HB THR 7 2.572 -10.738 -0.270 61 HG1 THR 7 HG1 THR 7 2.731 -11.046 2.115 62 1HG2 THR 7 2HG2 THR 7 4.713 -12.550 0.929 63 2HG2 THR 7 3HG2 THR 7 2.977 -12.905 0.838 64 3HG2 THR 7 1HG2 THR 7 3.924 -12.774 -0.649 65 H VAL 8 HN VAL 8 3.438 -9.926 -2.564 66 HA VAL 8 HA VAL 8 5.293 -11.734 -4.018 67 HB VAL 8 HB VAL 8 3.765 -11.389 -5.920 68 1HG1 VAL 8 2HG1 VAL 8 3.430 -13.225 -4.304 69 2HG1 VAL 8 3HG1 VAL 8 2.362 -12.185 -3.336 70 3HG1 VAL 8 1HG1 VAL 8 1.898 -12.650 -4.983 71 1HG2 VAL 8 2HG2 VAL 8 2.919 -9.081 -5.356 72 2HG2 VAL 8 3HG2 VAL 8 1.634 -10.253 -5.669 73 3HG2 VAL 8 1HG2 VAL 8 2.003 -9.779 -4.007 74 H CYS 9 HN CYN 9 6.767 -9.726 -3.063 75 HA CYS 9 HA CYN 9 7.776 -7.932 -5.038 76 1HB CYS 9 2HB CYN 9 5.588 -6.981 -5.109 77 2HB CYS 9 3HB CYN 9 5.428 -7.084 -3.354 78 H GLY 10 HN GLY 10 7.006 -6.455 -2.037 79 1HA GLY 10 2HA GLY 10 8.186 -7.059 0.144 80 2HA GLY 10 3HA GLY 10 9.651 -7.194 -0.836 81 H TYR 11 HN TYR 11 6.936 -4.879 -0.354 82 HA TYR 11 HA TYR 11 8.905 -2.618 -0.292 83 1HB TYR 11 2HB TYR 11 7.451 -2.403 -2.180 84 2HB TYR 11 3HB TYR 11 6.019 -2.735 -1.212 85 HD1 TYR 11 HD2 TYR 11 8.900 -0.321 -1.442 86 HD2 TYR 11 HD1 TYR 11 4.768 -0.898 -0.346 87 HE1 TYR 11 HE2 TYR 11 8.676 2.105 -0.972 88 HE2 TYR 11 HE1 TYR 11 4.558 1.526 0.124 89 HH TYR 11 HOH TYR 11 5.569 3.649 -0.369 90 H ILE 12 HN ILE 12 5.713 -3.509 0.975 91 HA ILE 12 HA ILE 12 4.757 -3.418 2.956 92 HB ILE 12 HB ILE 12 7.351 -2.428 4.150 93 1HG1 ILE 12 2HG1 ILE 12 5.585 -4.767 4.917 94 2HG1 ILE 12 3HG1 ILE 12 6.727 -4.915 3.566 95 1HG2 ILE 12 3HG2 ILE 12 4.615 -2.569 5.471 96 2HG2 ILE 12 1HG2 ILE 12 6.154 -2.487 6.342 97 3HG2 ILE 12 2HG2 ILE 12 5.660 -1.140 5.330 98 1HD1 ILE 12 1HD1 ILE 12 8.597 -4.354 5.090 99 2HD1 ILE 12 2HD1 ILE 12 7.458 -4.294 6.457 100 3HD1 ILE 12 3HD1 ILE 12 7.712 -5.810 5.583 101 H TYR 13 HN TYR 13 3.086 -2.175 2.890 102 HA TYR 13 HA TYR 13 3.171 0.670 2.154 103 1HB TYR 13 2HB TYR 13 1.358 -0.783 1.367 104 2HB TYR 13 3HB TYR 13 0.960 -1.230 3.032 105 HD1 TYR 13 HD1 TYR 13 -0.265 0.339 4.508 106 HD2 TYR 13 HD2 TYR 13 0.523 1.260 0.412 107 HE1 TYR 13 HE1 TYR 13 -1.679 2.366 4.668 108 HE2 TYR 13 HE2 TYR 13 -0.348 3.585 0.760 109 HH TYR 13 HOH TYR 13 -2.367 4.399 3.624 110 H ASN 14 HN ASN 14 2.890 2.349 3.641 111 HA ASN 14 HA ASN 14 2.384 1.637 6.460 112 1HB ASN 14 2HB ASN 14 4.797 2.210 6.088 113 2HB ASN 14 3HB ASN 14 4.300 3.774 5.480 114 1HD2 ASN 14 2HND ASN 14 5.120 4.156 9.120 115 2HD2 ASN 14 1HND ASN 14 5.826 4.255 7.523 116 HA PRO 15 HA PRO 15 -0.834 4.459 5.432 117 1HB PRO 15 2HB PRO 15 -2.229 4.389 7.869 118 2HB PRO 15 3HB PRO 15 -2.464 3.220 6.553 119 1HG PRO 15 2HG PRO 15 -0.968 2.869 9.097 120 2HG PRO 15 3HG PRO 15 -1.773 1.675 8.034 121 1HD PRO 15 2HD PRO 15 0.981 2.162 8.226 122 2HD PRO 15 3HD PRO 15 0.228 1.257 6.913 123 H GLU 16 HN GLU 16 0.971 4.759 8.527 124 HA GLU 16 HA GLU 16 0.085 7.424 9.014 125 1HB GLU 16 2HB GLU 16 2.603 5.927 9.823 126 2HB GLU 16 3HB GLU 16 2.125 7.513 10.405 127 1HG GLU 16 2HG GLU 16 -0.208 5.989 10.789 128 2HG GLU 16 3HG GLU 16 1.082 4.836 11.160 129 H ASP 17 HN ASP 17 2.440 6.055 6.852 130 HA ASP 17 HA ASP 17 3.694 8.689 6.195 131 1HB ASP 17 2HB ASP 17 4.106 5.878 5.152 132 2HB ASP 17 3HB ASP 17 5.002 7.287 4.596 133 H GLY 18 HN GLY 18 1.390 6.259 5.013 134 1HA GLY 18 2HA GLY 18 0.054 6.133 3.246 135 2HA GLY 18 3HA GLY 18 0.311 7.849 2.886 136 H ASP 19 HN ASP 19 0.506 7.232 0.672 137 HA ASP 19 HA ASP 19 3.279 6.718 -0.140 138 1HB ASP 19 2HB ASP 19 0.961 4.946 -0.939 139 2HB ASP 19 3HB ASP 19 2.123 5.370 -2.178 140 HA PRO 20 HA PRO 20 0.515 10.270 -1.449 141 1HB PRO 20 2HB PRO 20 2.278 12.363 -0.984 142 2HB PRO 20 3HB PRO 20 1.129 11.690 0.212 143 1HG PRO 20 2HG PRO 20 4.065 11.049 -0.123 144 2HG PRO 20 3HG PRO 20 3.172 11.355 1.395 145 1HD PRO 20 2HD PRO 20 3.729 8.839 0.597 146 2HD PRO 20 3HD PRO 20 2.139 9.226 1.314 147 H ASP 21 HN ASP 21 4.019 9.847 -2.214 148 HA ASP 21 HA ASP 21 4.269 11.254 -4.531 149 1HB ASP 21 2HB ASP 21 5.354 8.489 -3.800 150 2HB ASP 21 3HB ASP 21 6.047 9.595 -4.988 151 H ASN 22 HN ASN 22 2.519 8.286 -3.930 152 HA ASN 22 HA ASN 22 2.157 7.655 -6.798 153 1HB ASN 22 2HB ASN 22 1.444 6.016 -4.336 154 2HB ASN 22 3HB ASN 22 1.568 5.448 -5.994 155 1HD2 ASN 22 2HND ASN 22 4.925 5.867 -3.666 156 2HD2 ASN 22 1HND ASN 22 3.395 6.551 -3.159 157 H GLY 23 HN GLY 23 0.580 9.083 -4.122 158 1HA GLY 23 2HA GLY 23 -1.299 10.407 -4.847 159 2HA GLY 23 3HA GLY 23 -2.077 8.959 -5.503 160 H VAL 24 HN VAL 24 -0.577 8.003 -2.656 161 HA VAL 24 HA VAL 24 -3.238 8.007 -1.293 162 HB VAL 24 HB VAL 24 -0.764 6.308 -1.017 163 1HG1 VAL 24 3HG1 VAL 24 -3.412 6.196 0.453 164 2HG1 VAL 24 1HG1 VAL 24 -2.241 4.866 0.410 165 3HG1 VAL 24 2HG1 VAL 24 -1.788 6.405 1.164 166 1HG2 VAL 24 2HG2 VAL 24 -2.112 5.896 -3.068 167 2HG2 VAL 24 3HG2 VAL 24 -2.202 4.532 -1.938 168 3HG2 VAL 24 1HG2 VAL 24 -3.559 5.672 -2.067 169 H ASN 25 HN ASN 25 -3.473 9.636 0.135 170 HA ASN 25 HA ASN 25 -1.252 11.162 1.095 171 1HB ASN 25 2HB ASN 25 -4.232 11.061 1.706 172 2HB ASN 25 3HB ASN 25 -3.166 12.022 2.718 173 1HD2 ASN 25 2HND ASN 25 -3.535 13.206 -1.222 174 2HD2 ASN 25 1HND ASN 25 -3.657 11.500 -0.868 175 HA PRO 26 HA PRO 26 -0.202 8.988 4.845 176 1HB PRO 26 2HB PRO 26 0.139 11.082 6.662 177 2HB PRO 26 3HB PRO 26 1.361 10.462 5.531 178 1HG PRO 26 2HG PRO 26 -0.392 12.880 5.235 179 2HG PRO 26 3HG PRO 26 1.316 12.634 4.733 180 1HD PRO 26 2HD PRO 26 -0.807 12.541 2.981 181 2HD PRO 26 3HD PRO 26 0.676 11.568 2.754 182 H GLY 27 HN GLY 27 -1.152 8.255 6.620 183 1HA GLY 27 2HA GLY 27 -2.786 7.724 8.110 184 2HA GLY 27 3HA GLY 27 -3.557 9.303 7.857 185 H THR 28 HN THR 28 -2.967 7.198 4.952 186 HA THR 28 HA THR 28 -5.900 6.891 4.810 187 HB THR 28 HB THR 28 -3.658 6.331 2.822 188 HG1 THR 28 HG1 THR 28 -3.973 8.515 3.030 189 1HG2 THR 28 3HG2 THR 28 -6.700 6.173 2.650 190 2HG2 THR 28 1HG2 THR 28 -5.627 6.190 1.229 191 3HG2 THR 28 2HG2 THR 28 -5.509 4.872 2.412 192 H ASP 29 HN ASP 29 -6.741 5.066 5.539 193 HA ASP 29 HA ASP 29 -5.197 2.832 6.398 194 1HB ASP 29 2HB ASP 29 -7.587 3.566 7.062 195 2HB ASP 29 3HB ASP 29 -8.118 2.785 5.591 196 H PHE 30 HN PHE 30 -4.720 0.970 5.386 197 HA PHE 30 HA PHE 30 -4.390 0.660 2.623 198 1HB PHE 30 2HB PHE 30 -3.602 -0.769 4.679 199 2HB PHE 30 3HB PHE 30 -5.088 -1.680 4.435 200 HD1 PHE 30 HD2 PHE 30 -5.451 -2.701 2.005 201 HD2 PHE 30 HD1 PHE 30 -1.692 -1.174 3.449 202 HE1 PHE 30 HE2 PHE 30 -4.308 -3.577 -0.007 203 HE2 PHE 30 HE1 PHE 30 -0.547 -2.137 1.464 204 HZ PHE 30 HZ PHE 30 -1.861 -3.174 -0.313 205 H LYS 31 HN LYS 31 -7.315 0.110 4.651 206 HA LYS 31 HA LYS 31 -8.645 -1.354 2.515 207 1HB LYS 31 2HB LYS 31 -10.596 -1.327 3.807 208 2HB LYS 31 3HB LYS 31 -9.214 -1.646 4.877 209 1HG LYS 31 2HG LYS 31 -9.177 0.828 5.385 210 2HG LYS 31 3HG LYS 31 -10.664 0.979 4.448 211 1HD LYS 31 2HD LYS 31 -11.772 -0.630 5.972 212 2HD LYS 31 3HD LYS 31 -10.259 -0.770 6.884 213 1HE LYS 31 2HE LYS 31 -11.802 0.809 8.038 214 2HE LYS 31 3HE LYS 31 -10.322 1.614 7.504 215 1HZ LYS 31 2HNZ LYS 31 -11.539 2.500 5.604 216 2HZ LYS 31 3HNZ LYS 31 -12.917 1.799 6.109 217 3HZ LYS 31 1HNZ LYS 31 -12.167 2.979 6.995 218 H ASP 32 HN ASP 32 -8.325 2.005 3.455 219 HA ASP 32 HA ASP 32 -10.505 2.968 1.754 220 1HB ASP 32 2HB ASP 32 -8.543 4.328 3.652 221 2HB ASP 32 3HB ASP 32 -9.804 5.171 2.768 222 H ILE 33 HN ILE 33 -7.101 2.230 1.330 223 HA ILE 33 HA ILE 33 -6.286 4.163 -0.422 224 HB ILE 33 HB ILE 33 -5.931 1.221 -0.325 225 1HG1 ILE 33 2HG1 ILE 33 -4.390 3.599 0.683 226 2HG1 ILE 33 3HG1 ILE 33 -5.070 2.344 1.626 227 1HG2 ILE 33 2HG2 ILE 33 -5.352 2.034 -2.580 228 2HG2 ILE 33 3HG2 ILE 33 -4.148 3.104 -1.801 229 3HG2 ILE 33 1HG2 ILE 33 -4.034 1.324 -1.658 230 1HD1 ILE 33 1HD1 ILE 33 -3.466 0.699 0.445 231 2HD1 ILE 33 2HD1 ILE 33 -2.598 2.167 -0.095 232 3HD1 ILE 33 3HD1 ILE 33 -2.801 1.816 1.630 233 HA PRO 34 HA PRO 34 -9.391 3.638 -3.737 234 1HB PRO 34 2HB PRO 34 -7.203 4.358 -5.614 235 2HB PRO 34 3HB PRO 34 -8.753 5.190 -5.358 236 1HG PRO 34 2HG PRO 34 -6.360 6.242 -4.484 237 2HG PRO 34 3HG PRO 34 -7.903 6.470 -3.606 238 1HD PRO 34 2HD PRO 34 -5.679 4.509 -2.930 239 2HD PRO 34 3HD PRO 34 -6.705 5.508 -1.884 240 H ASP 35 HN ASP 35 -9.860 1.774 -5.063 241 HA ASP 35 HA ASP 35 -7.827 -0.300 -4.904 242 1HB ASP 35 2HB ASP 35 -10.721 -0.188 -5.131 243 2HB ASP 35 3HB ASP 35 -10.043 -1.210 -6.382 244 H ASP 36 HN ASP 36 -8.470 2.149 -7.131 245 HA ASP 36 HA ASP 36 -7.208 0.888 -9.427 246 1HB ASP 36 2HB ASP 36 -7.286 3.273 -10.242 247 2HB ASP 36 3HB ASP 36 -8.871 2.626 -9.790 248 H TRP 37 HN TRP 37 -6.058 2.009 -6.379 249 HA TRP 37 HA TRP 37 -3.574 3.173 -7.305 250 1HB TRP 37 2HB TRP 37 -4.464 3.593 -5.059 251 2HB TRP 37 3HB TRP 37 -4.404 1.861 -4.721 252 HD1 TRP 37 HD TRP 37 -1.890 4.732 -5.235 253 HE1 TRP 37 HNE TRP 37 0.190 4.176 -3.842 254 HE3 TRP 37 HE TRP 37 -3.128 -0.021 -3.880 255 HZ2 TRP 37 HZ1 TRP 37 1.141 1.957 -2.216 256 HZ3 TRP 37 HZ2 TRP 37 -1.559 -1.384 -2.483 257 HH2 TRP 37 HH TRP 37 0.548 -0.393 -1.638 258 H VAL 38 HN VAL 38 -1.499 2.123 -6.993 259 HA VAL 38 HA VAL 38 -1.442 -0.812 -7.367 260 HB VAL 38 HB VAL 38 -1.637 0.339 -9.582 261 1HG1 VAL 38 2HG1 VAL 38 -0.413 2.439 -9.048 262 2HG1 VAL 38 3HG1 VAL 38 1.106 1.519 -8.954 263 3HG1 VAL 38 1HG1 VAL 38 0.224 1.628 -10.486 264 1HG2 VAL 38 1HG2 VAL 38 -0.541 -1.834 -9.378 265 2HG2 VAL 38 2HG2 VAL 38 0.151 -0.862 -10.686 266 3HG2 VAL 38 3HG2 VAL 38 1.035 -1.024 -9.155 267 H CYS 39 HN CYN 39 0.716 -1.726 -6.935 268 HA CYS 39 HA CYN 39 1.912 -0.636 -4.639 269 1HB CYS 39 2HB CYN 39 2.056 -2.985 -5.261 270 2HB CYS 39 3HB CYN 39 2.966 -2.547 -6.713 271 HA PRO 40 HA PRO 40 4.137 2.727 -6.417 272 1HB PRO 40 2HB PRO 40 6.282 3.024 -4.657 273 2HB PRO 40 3HB PRO 40 4.604 3.524 -4.325 274 1HG PRO 40 2HG PRO 40 5.901 0.970 -3.444 275 2HG PRO 40 3HG PRO 40 4.889 2.136 -2.519 276 1HD PRO 40 2HD PRO 40 3.792 -0.085 -3.508 277 2HD PRO 40 3HD PRO 40 2.917 1.463 -3.620 278 H LEU 41 HN LEU 41 5.908 -0.329 -5.875 279 HA LEU 41 HA LEU 41 7.295 0.157 -8.396 280 1HB LEU 41 2HB LEU 41 8.695 1.296 -6.605 281 2HB LEU 41 3HB LEU 41 8.949 -0.291 -5.884 282 HG LEU 41 HG LEU 41 10.121 -1.015 -7.969 283 1HD1 LEU 41 2HD1 LEU 41 9.710 1.889 -8.851 284 2HD1 LEU 41 3HD1 LEU 41 10.821 0.741 -9.618 285 3HD1 LEU 41 1HD1 LEU 41 9.086 0.450 -9.687 286 1HD2 LEU 41 2HD2 LEU 41 11.400 -0.036 -6.089 287 2HD2 LEU 41 3HD2 LEU 41 12.137 0.336 -7.653 288 3HD2 LEU 41 1HD2 LEU 41 11.203 1.579 -6.800 289 H CYS 42 HN CYN 42 5.323 -1.652 -8.016 290 HA CYS 42 HA CYN 42 6.966 -3.798 -9.040 291 1HB CYS 42 2HB CYN 42 6.297 -5.626 -7.923 292 2HB CYS 42 3HB CYN 42 6.534 -4.434 -6.656 293 H GLY 43 HN GLY 43 3.472 -3.374 -8.350 294 1HA GLY 43 2HA GLY 43 2.392 -2.339 -10.569 295 2HA GLY 43 3HA GLY 43 2.852 -3.944 -11.160 296 H VAL 44 HN VAL 44 0.976 -4.992 -11.288 297 HA VAL 44 HA VAL 44 -0.832 -6.156 -10.775 298 HB VAL 44 HB VAL 44 0.369 -6.240 -7.978 299 1HG1 VAL 44 1HG1 VAL 44 -1.644 -8.056 -9.387 300 2HG1 VAL 44 2HG1 VAL 44 -0.838 -8.418 -7.850 301 3HG1 VAL 44 3HG1 VAL 44 -1.956 -7.057 -7.951 302 1HG2 VAL 44 2HG2 VAL 44 0.736 -8.031 -10.422 303 2HG2 VAL 44 3HG2 VAL 44 1.976 -6.985 -9.696 304 3HG2 VAL 44 1HG2 VAL 44 1.356 -8.370 -8.794 305 H GLY 45 HN GLY 45 -0.792 -4.427 -7.601 306 1HA GLY 45 2HA GLY 45 -2.777 -2.594 -7.783 307 2HA GLY 45 3HA GLY 45 -3.695 -4.102 -7.913 308 H LYS 46 HN LYS 46 -4.692 -4.172 -5.951 309 HA LYS 46 HA LYS 46 -3.027 -4.283 -3.449 310 1HB LYS 46 2HB LYS 46 -5.967 -3.649 -3.860 311 2HB LYS 46 3HB LYS 46 -5.107 -3.768 -2.306 312 1HG LYS 46 2HG LYS 46 -3.882 -1.778 -2.756 313 2HG LYS 46 3HG LYS 46 -4.482 -1.737 -4.443 314 1HD LYS 46 2HD LYS 46 -5.852 -0.176 -3.279 315 2HD LYS 46 3HD LYS 46 -6.806 -1.632 -3.563 316 1HE LYS 46 2HE LYS 46 -6.284 -2.355 -1.167 317 2HE LYS 46 3HE LYS 46 -5.561 -0.786 -0.939 318 1HZ LYS 46 3HNZ LYS 46 -8.372 -1.239 -1.817 319 2HZ LYS 46 1HNZ LYS 46 -7.904 -0.818 -0.257 320 3HZ LYS 46 2HNZ LYS 46 -7.737 0.217 -1.506 321 H ASP 47 HN ASP 47 -2.525 -6.648 -3.721 322 HA ASP 47 HA ASP 47 -4.742 -8.241 -2.778 323 1HB ASP 47 2HB ASP 47 -4.315 -10.071 -4.337 324 2HB ASP 47 3HB ASP 47 -4.844 -8.629 -5.204 325 H GLN 48 HN GLN 48 -3.769 -10.355 -2.208 326 HA GLN 48 HA GLN 48 -2.703 -11.233 -0.310 327 1HB GLN 48 2HB GLN 48 -0.814 -11.081 -2.651 328 2HB GLN 48 3HB GLN 48 -0.223 -11.761 -1.135 329 1HG GLN 48 2HG GLN 48 -1.034 -13.502 -2.614 330 2HG GLN 48 3HG GLN 48 -1.894 -13.467 -1.076 331 1HE2 GLN 48 2HNE GLN 48 -5.064 -12.726 -2.559 332 2HE2 GLN 48 1HNE GLN 48 -4.154 -12.678 -1.058 333 H PHE 49 HN PHE 49 -3.075 -8.679 0.413 334 HA PHE 49 HA PHE 49 -0.497 -7.717 1.450 335 1HB PHE 49 2HB PHE 49 -1.834 -5.713 2.147 336 2HB PHE 49 3HB PHE 49 -1.654 -6.001 0.442 337 HD1 PHE 49 HD2 PHE 49 -4.122 -6.064 3.228 338 HD2 PHE 49 HD1 PHE 49 -3.500 -6.478 -1.008 339 HE1 PHE 49 HE2 PHE 49 -6.552 -5.860 2.862 340 HE2 PHE 49 HE1 PHE 49 -5.966 -6.384 -1.368 341 HZ PHE 49 HZ PHE 49 -7.485 -6.035 0.558 342 H GLU 50 HN GLU 50 0.196 -8.453 3.324 343 HA GLU 50 HA GLU 50 -1.652 -9.610 5.368 344 1HB GLU 50 2HB GLU 50 1.353 -9.737 4.849 345 2HB GLU 50 3HB GLU 50 0.596 -10.435 6.269 346 1HG GLU 50 2HG GLU 50 -0.647 -12.025 4.919 347 2HG GLU 50 3HG GLU 50 -0.245 -11.173 3.417 348 H GLU 51 HN GLU 51 -1.424 -8.781 7.691 349 HA GLU 51 HA GLU 51 -0.809 -5.954 7.720 350 1HB GLU 51 2HB GLU 51 -2.825 -6.814 8.763 351 2HB GLU 51 3HB GLU 51 -1.903 -7.942 9.760 352 1HG GLU 51 2HG GLU 51 -0.951 -6.336 11.024 353 2HG GLU 51 3HG GLU 51 -1.299 -4.980 9.928 354 H VAL 52 HN VAL 52 0.889 -4.989 8.868 355 HA VAL 52 HA VAL 52 3.083 -6.702 9.877 356 HB VAL 52 HB VAL 52 2.861 -3.979 8.546 357 1HG1 VAL 52 1HG1 VAL 52 5.237 -5.131 10.061 358 2HG1 VAL 52 2HG1 VAL 52 5.296 -3.716 8.976 359 3HG1 VAL 52 3HG1 VAL 52 4.341 -3.645 10.463 360 1HG2 VAL 52 3HG2 VAL 52 3.047 -5.922 7.105 361 2HG2 VAL 52 1HG2 VAL 52 4.432 -4.819 7.005 362 3HG2 VAL 52 2HG2 VAL 52 4.584 -6.361 7.889 363 H GLU 53 HN GLU 53 2.729 -6.940 12.026 364 HA GLU 53 HA GLU 53 1.347 -5.124 13.695 365 1HB GLU 53 2HB GLU 53 2.016 -6.681 15.430 366 2HB GLU 53 3HB GLU 53 1.278 -7.482 14.046 367 1HG GLU 53 2HG GLU 53 3.641 -8.114 13.280 368 2HG GLU 53 3HG GLU 53 4.239 -7.431 14.778 369 H GLU 54 HN GLU 54 2.710 -3.343 12.930 370 HA GLU 54 HA GLU 54 5.042 -2.622 14.567 371 1HB GLU 54 2HB GLU 54 4.415 -0.297 14.063 372 2HB GLU 54 3HB GLU 54 4.647 -1.280 12.611 373 1HG GLU 54 2HG GLU 54 2.216 -1.466 12.293 374 2HG GLU 54 3HG GLU 54 1.928 -0.641 13.835 No H/Q in entry = 374 Start of MODEL 19 1 1H MET 1 1HN MET 1 -5.214 -0.693 8.676 2 2H MET 1 2HN MET 1 -6.309 0.570 8.667 3 3H MET 1 3HN MET 1 -4.948 0.619 7.742 4 HA MET 1 HA MET 1 -5.228 0.832 10.625 5 1HB MET 1 2HB MET 1 -3.436 2.667 10.362 6 2HB MET 1 3HB MET 1 -3.601 2.406 8.625 7 1HG MET 1 2HG MET 1 -5.687 3.022 8.591 8 2HG MET 1 3HG MET 1 -6.076 2.792 10.264 9 1HE MET 1 3HE MET 1 -4.530 4.199 12.155 10 2HE MET 1 1HE MET 1 -5.148 5.870 12.149 11 3HE MET 1 2HE MET 1 -6.276 4.509 11.989 12 H LYS 2 HN LYS 2 -2.349 1.174 10.965 13 HA LYS 2 HA LYS 2 -0.417 0.088 11.259 14 1HB LYS 2 2HB LYS 2 -1.832 -2.538 10.801 15 2HB LYS 2 3HB LYS 2 -0.373 -2.207 11.748 16 1HG LYS 2 2HG LYS 2 -1.847 -0.752 13.255 17 2HG LYS 2 3HG LYS 2 -3.250 -1.479 12.394 18 1HD LYS 2 2HD LYS 2 -1.978 -3.716 12.804 19 2HD LYS 2 3HD LYS 2 -1.137 -2.835 14.074 20 1HE LYS 2 2HE LYS 2 -4.174 -3.254 13.766 21 2HE LYS 2 3HE LYS 2 -3.142 -4.155 14.880 22 1HZ LYS 2 1HNZ LYS 2 -3.607 -1.248 14.990 23 2HZ LYS 2 2HNZ LYS 2 -4.281 -2.367 15.993 24 3HZ LYS 2 3HNZ LYS 2 -2.654 -2.108 16.023 25 H LYS 3 HN LYS 3 1.160 -1.526 10.229 26 HA LYS 3 HA LYS 3 1.281 -0.702 7.420 27 1HB LYS 3 2HB LYS 3 3.246 -2.172 9.208 28 2HB LYS 3 3HB LYS 3 3.560 -1.555 7.583 29 1HG LYS 3 2HG LYS 3 3.041 0.748 8.331 30 2HG LYS 3 3HG LYS 3 2.636 0.164 9.926 31 1HD LYS 3 2HD LYS 3 4.764 1.015 10.217 32 2HD LYS 3 3HD LYS 3 4.853 -0.757 10.251 33 1HE LYS 3 2HE LYS 3 5.804 -0.823 8.019 34 2HE LYS 3 3HE LYS 3 5.744 0.949 7.911 35 1HZ LYS 3 2HNZ LYS 3 7.186 -0.537 10.013 36 2HZ LYS 3 3HNZ LYS 3 7.915 0.053 8.650 37 3HZ LYS 3 1HNZ LYS 3 7.237 1.065 9.763 38 H TYR 4 HN TYR 4 1.994 -2.298 5.822 39 HA TYR 4 HA TYR 4 1.047 -5.062 6.257 40 1HB TYR 4 2HB TYR 4 -0.146 -3.042 4.360 41 2HB TYR 4 3HB TYR 4 -0.176 -4.749 3.925 42 HD1 TYR 4 HD2 TYR 4 -1.457 -2.323 6.429 43 HD2 TYR 4 HD1 TYR 4 -1.803 -6.199 4.651 44 HE1 TYR 4 HE2 TYR 4 -3.450 -2.765 7.789 45 HE2 TYR 4 HE1 TYR 4 -3.827 -6.665 6.005 46 HH TYR 4 HOH TYR 4 -5.231 -5.849 7.699 47 H THR 5 HN THR 5 1.851 -6.602 4.738 48 HA THR 5 HA THR 5 4.121 -5.785 3.090 49 HB THR 5 HB THR 5 2.794 -8.510 3.076 50 HG1 THR 5 HG1 THR 5 4.377 -7.327 5.111 51 1HG2 THR 5 1HG2 THR 5 5.711 -7.585 2.977 52 2HG2 THR 5 2HG2 THR 5 5.160 -9.271 3.025 53 3HG2 THR 5 3HG2 THR 5 4.774 -8.266 1.626 54 H CYS 6 HN CYN 6 4.326 -6.209 0.789 55 HA CYS 6 HA CYN 6 2.003 -5.716 -0.912 56 1HB CYS 6 2HB CYN 6 4.153 -4.804 -1.524 57 2HB CYS 6 3HB CYN 6 4.917 -6.389 -1.397 58 H THR 7 HN THR 7 1.621 -7.301 -2.720 59 HA THR 7 HA THR 7 0.745 -9.835 -2.046 60 HB THR 7 HB THR 7 1.933 -8.931 -4.702 61 HG1 THR 7 HG1 THR 7 -0.535 -8.261 -3.500 62 1HG2 THR 7 1HG2 THR 7 1.097 -11.278 -4.662 63 2HG2 THR 7 2HG2 THR 7 -0.491 -10.684 -4.121 64 3HG2 THR 7 3HG2 THR 7 0.131 -10.227 -5.716 65 H VAL 8 HN VAL 8 3.987 -8.774 -3.108 66 HA VAL 8 HA VAL 8 5.205 -11.257 -2.271 67 HB VAL 8 HB VAL 8 4.217 -12.171 -4.242 68 1HG1 VAL 8 3HG1 VAL 8 5.537 -9.953 -5.858 69 2HG1 VAL 8 1HG1 VAL 8 4.694 -11.372 -6.513 70 3HG1 VAL 8 2HG1 VAL 8 3.794 -10.170 -5.585 71 1HG2 VAL 8 1HG2 VAL 8 6.546 -12.865 -3.678 72 2HG2 VAL 8 2HG2 VAL 8 6.104 -13.075 -5.380 73 3HG2 VAL 8 3HG2 VAL 8 7.143 -11.722 -4.904 74 H CYS 9 HN CYN 9 5.633 -8.021 -3.828 75 HA CYS 9 HA CYN 9 8.522 -8.434 -3.815 76 1HB CYS 9 2HB CYN 9 8.742 -6.417 -4.845 77 2HB CYS 9 3HB CYN 9 7.215 -7.031 -5.491 78 H GLY 10 HN GLY 10 9.807 -6.503 -2.735 79 1HA GLY 10 2HA GLY 10 9.262 -6.822 0.167 80 2HA GLY 10 3HA GLY 10 10.751 -6.266 -0.600 81 H TYR 11 HN TYR 11 7.327 -5.124 -0.888 82 HA TYR 11 HA TYR 11 8.264 -2.421 0.025 83 1HB TYR 11 2HB TYR 11 7.713 -2.970 -2.527 84 2HB TYR 11 3HB TYR 11 6.088 -2.559 -2.021 85 HD1 TYR 11 HD2 TYR 11 6.130 -0.269 -0.397 86 HD2 TYR 11 HD1 TYR 11 9.032 -1.337 -3.411 87 HE1 TYR 11 HE2 TYR 11 6.836 2.095 -0.562 88 HE2 TYR 11 HE1 TYR 11 9.768 1.009 -3.526 89 HH TYR 11 HOH TYR 11 8.076 3.625 -1.774 90 H ILE 12 HN ILE 12 7.604 -2.819 2.136 91 HA ILE 12 HA ILE 12 4.882 -3.510 2.759 92 HB ILE 12 HB ILE 12 7.280 -2.535 4.291 93 1HG1 ILE 12 2HG1 ILE 12 5.353 -4.832 4.820 94 2HG1 ILE 12 3HG1 ILE 12 6.670 -4.967 3.652 95 1HG2 ILE 12 3HG2 ILE 12 4.462 -2.547 5.455 96 2HG2 ILE 12 1HG2 ILE 12 5.950 -2.498 6.408 97 3HG2 ILE 12 2HG2 ILE 12 5.562 -1.157 5.343 98 1HD1 ILE 12 3HD1 ILE 12 8.332 -4.533 5.403 99 2HD1 ILE 12 1HD1 ILE 12 7.044 -4.411 6.624 100 3HD1 ILE 12 2HD1 ILE 12 7.319 -5.940 5.780 101 H TYR 13 HN TYR 13 3.116 -2.245 2.841 102 HA TYR 13 HA TYR 13 3.311 0.621 2.160 103 1HB TYR 13 2HB TYR 13 1.496 -0.647 1.131 104 2HB TYR 13 3HB TYR 13 0.948 -1.207 2.713 105 HD1 TYR 13 HD1 TYR 13 1.739 2.086 1.022 106 HD2 TYR 13 HD2 TYR 13 -1.050 -0.146 3.386 107 HE1 TYR 13 HE1 TYR 13 0.489 4.160 1.500 108 HE2 TYR 13 HE2 TYR 13 -2.168 1.983 4.091 109 HH TYR 13 HOH TYR 13 -2.337 4.359 3.688 110 H ASN 14 HN ASN 14 3.049 2.249 3.654 111 HA ASN 14 HA ASN 14 2.508 1.517 6.484 112 1HB ASN 14 2HB ASN 14 4.922 2.093 6.092 113 2HB ASN 14 3HB ASN 14 4.421 3.663 5.487 114 1HD2 ASN 14 2HND ASN 14 5.247 4.226 9.035 115 2HD2 ASN 14 1HND ASN 14 5.919 4.255 7.417 116 HA PRO 15 HA PRO 15 -0.704 4.358 5.425 117 1HB PRO 15 2HB PRO 15 -2.127 4.267 7.875 118 2HB PRO 15 3HB PRO 15 -2.359 3.157 6.505 119 1HG PRO 15 2HG PRO 15 -0.925 2.674 9.049 120 2HG PRO 15 3HG PRO 15 -1.736 1.555 7.909 121 1HD PRO 15 2HD PRO 15 1.042 2.025 8.196 122 2HD PRO 15 3HD PRO 15 0.328 1.126 6.853 123 H GLU 16 HN GLU 16 1.157 4.624 8.472 124 HA GLU 16 HA GLU 16 0.287 7.267 9.049 125 1HB GLU 16 2HB GLU 16 2.884 5.834 9.721 126 2HB GLU 16 3HB GLU 16 2.301 7.342 10.407 127 1HG GLU 16 2HG GLU 16 0.105 5.931 10.950 128 2HG GLU 16 3HG GLU 16 1.179 4.535 10.744 129 H ASP 17 HN ASP 17 2.587 5.960 6.792 130 HA ASP 17 HA ASP 17 3.798 8.619 6.151 131 1HB ASP 17 2HB ASP 17 4.264 5.817 5.099 132 2HB ASP 17 3HB ASP 17 5.127 7.249 4.541 133 H GLY 18 HN GLY 18 1.501 6.181 4.954 134 1HA GLY 18 2HA GLY 18 0.194 6.068 3.189 135 2HA GLY 18 3HA GLY 18 0.373 7.794 2.876 136 H ASP 19 HN ASP 19 0.573 7.326 0.644 137 HA ASP 19 HA ASP 19 3.311 6.905 -0.251 138 1HB ASP 19 2HB ASP 19 1.234 4.863 -0.706 139 2HB ASP 19 3HB ASP 19 1.797 5.501 -2.235 140 HA PRO 20 HA PRO 20 0.428 10.334 -1.617 141 1HB PRO 20 2HB PRO 20 2.162 12.468 -1.228 142 2HB PRO 20 3HB PRO 20 1.018 11.825 -0.010 143 1HG PRO 20 2HG PRO 20 3.964 11.222 -0.314 144 2HG PRO 20 3HG PRO 20 3.059 11.558 1.192 145 1HD PRO 20 2HD PRO 20 3.681 9.032 0.458 146 2HD PRO 20 3HD PRO 20 2.089 9.392 1.183 147 H ASP 21 HN ASP 21 3.900 9.798 -2.397 148 HA ASP 21 HA ASP 21 4.149 11.208 -4.734 149 1HB ASP 21 2HB ASP 21 5.247 8.469 -3.921 150 2HB ASP 21 3HB ASP 21 5.924 9.519 -5.169 151 H ASN 22 HN ASN 22 2.425 8.232 -4.068 152 HA ASN 22 HA ASN 22 2.022 7.589 -6.937 153 1HB ASN 22 2HB ASN 22 1.404 5.929 -4.465 154 2HB ASN 22 3HB ASN 22 1.485 5.372 -6.133 155 1HD2 ASN 22 2HND ASN 22 4.877 5.759 -3.869 156 2HD2 ASN 22 1HND ASN 22 3.391 6.460 -3.336 157 H GLY 23 HN GLY 23 0.453 8.778 -4.119 158 1HA GLY 23 2HA GLY 23 -1.409 10.235 -4.812 159 2HA GLY 23 3HA GLY 23 -2.192 8.834 -5.546 160 H VAL 24 HN VAL 24 -0.581 8.090 -2.557 161 HA VAL 24 HA VAL 24 -3.242 7.925 -1.176 162 HB VAL 24 HB VAL 24 -0.693 6.318 -1.007 163 1HG1 VAL 24 1HG1 VAL 24 -3.217 6.152 0.653 164 2HG1 VAL 24 2HG1 VAL 24 -2.006 4.855 0.554 165 3HG1 VAL 24 3HG1 VAL 24 -1.557 6.425 1.245 166 1HG2 VAL 24 2HG2 VAL 24 -2.168 5.810 -2.951 167 2HG2 VAL 24 3HG2 VAL 24 -2.140 4.472 -1.791 168 3HG2 VAL 24 1HG2 VAL 24 -3.533 5.574 -1.844 169 H ASN 25 HN ASN 25 -3.471 9.599 0.201 170 HA ASN 25 HA ASN 25 -1.273 11.189 1.129 171 1HB ASN 25 2HB ASN 25 -4.233 11.000 1.791 172 2HB ASN 25 3HB ASN 25 -3.172 11.964 2.806 173 1HD2 ASN 25 2HND ASN 25 -3.681 13.198 -1.100 174 2HD2 ASN 25 1HND ASN 25 -3.865 11.499 -0.736 175 HA PRO 26 HA PRO 26 -0.091 8.948 4.807 176 1HB PRO 26 2HB PRO 26 0.313 11.010 6.645 177 2HB PRO 26 3HB PRO 26 1.493 10.406 5.466 178 1HG PRO 26 2HG PRO 26 -0.239 12.846 5.289 179 2HG PRO 26 3HG PRO 26 1.435 12.578 4.689 180 1HD PRO 26 2HD PRO 26 -0.821 12.545 3.075 181 2HD PRO 26 3HD PRO 26 0.663 11.618 2.708 182 H GLY 27 HN GLY 27 -0.981 8.184 6.633 183 1HA GLY 27 2HA GLY 27 -2.568 7.677 8.189 184 2HA GLY 27 3HA GLY 27 -3.345 9.253 7.943 185 H THR 28 HN THR 28 -2.836 7.195 5.012 186 HA THR 28 HA THR 28 -5.772 6.921 4.925 187 HB THR 28 HB THR 28 -3.524 6.376 2.937 188 HG1 THR 28 HG1 THR 28 -3.883 8.553 3.145 189 1HG2 THR 28 2HG2 THR 28 -6.544 6.221 2.656 190 2HG2 THR 28 3HG2 THR 28 -5.417 6.196 1.282 191 3HG2 THR 28 1HG2 THR 28 -5.364 4.897 2.489 192 H ASP 29 HN ASP 29 -6.686 5.119 5.592 193 HA ASP 29 HA ASP 29 -5.193 2.779 6.369 194 1HB ASP 29 2HB ASP 29 -7.530 3.572 7.131 195 2HB ASP 29 3HB ASP 29 -8.124 2.933 5.620 196 H PHE 30 HN PHE 30 -4.670 1.055 5.178 197 HA PHE 30 HA PHE 30 -4.573 0.832 2.444 198 1HB PHE 30 2HB PHE 30 -3.772 -0.669 4.445 199 2HB PHE 30 3HB PHE 30 -5.247 -1.584 4.150 200 HD1 PHE 30 HD2 PHE 30 -5.185 -1.376 1.039 201 HD2 PHE 30 HD1 PHE 30 -2.140 -2.203 3.935 202 HE1 PHE 30 HE2 PHE 30 -3.859 -2.511 -0.691 203 HE2 PHE 30 HE1 PHE 30 -0.831 -3.418 2.169 204 HZ PHE 30 HZ PHE 30 -1.758 -3.549 -0.125 205 H LYS 31 HN LYS 31 -7.453 0.203 4.600 206 HA LYS 31 HA LYS 31 -8.900 -1.109 2.429 207 1HB LYS 31 2HB LYS 31 -10.780 -1.114 3.848 208 2HB LYS 31 3HB LYS 31 -9.338 -1.508 4.811 209 1HG LYS 31 2HG LYS 31 -9.236 1.029 5.319 210 2HG LYS 31 3HG LYS 31 -10.808 1.143 4.606 211 1HD LYS 31 2HD LYS 31 -11.601 -0.585 6.279 212 2HD LYS 31 3HD LYS 31 -9.949 -0.636 6.928 213 1HE LYS 31 2HE LYS 31 -10.748 2.147 6.850 214 2HE LYS 31 3HE LYS 31 -12.113 1.262 7.532 215 1HZ LYS 31 1HNZ LYS 31 -10.563 0.358 9.173 216 2HZ LYS 31 2HNZ LYS 31 -9.323 1.202 8.491 217 3HZ LYS 31 3HNZ LYS 31 -10.559 2.011 9.194 218 H ASP 32 HN ASP 32 -8.419 2.205 3.513 219 HA ASP 32 HA ASP 32 -10.630 3.363 2.023 220 1HB ASP 32 2HB ASP 32 -8.245 4.669 3.405 221 2HB ASP 32 3HB ASP 32 -9.662 5.493 2.767 222 H ILE 33 HN ILE 33 -7.237 2.423 1.357 223 HA ILE 33 HA ILE 33 -6.558 4.302 -0.549 224 HB ILE 33 HB ILE 33 -6.033 1.367 -0.345 225 1HG1 ILE 33 2HG1 ILE 33 -4.618 3.862 0.566 226 2HG1 ILE 33 3HG1 ILE 33 -5.173 2.598 1.567 227 1HG2 ILE 33 2HG2 ILE 33 -5.589 2.128 -2.610 228 2HG2 ILE 33 3HG2 ILE 33 -4.411 3.291 -1.927 229 3HG2 ILE 33 1HG2 ILE 33 -4.187 1.528 -1.751 230 1HD1 ILE 33 2HD1 ILE 33 -3.501 1.037 0.417 231 2HD1 ILE 33 3HD1 ILE 33 -2.770 2.522 -0.261 232 3HD1 ILE 33 1HD1 ILE 33 -2.875 2.300 1.487 233 HA PRO 34 HA PRO 34 -9.695 3.273 -3.635 234 1HB PRO 34 2HB PRO 34 -8.189 4.225 -5.872 235 2HB PRO 34 3HB PRO 34 -9.444 5.077 -4.949 236 1HG PRO 34 2HG PRO 34 -6.547 5.540 -4.959 237 2HG PRO 34 3HG PRO 34 -7.799 6.469 -4.086 238 1HD PRO 34 2HD PRO 34 -5.955 4.461 -3.049 239 2HD PRO 34 3HD PRO 34 -7.012 5.541 -2.135 240 H ASP 35 HN ASP 35 -9.979 1.356 -4.849 241 HA ASP 35 HA ASP 35 -7.761 -0.458 -4.979 242 1HB ASP 35 2HB ASP 35 -10.728 -0.462 -5.534 243 2HB ASP 35 3HB ASP 35 -9.713 -1.684 -6.244 244 H ASP 36 HN ASP 36 -8.524 2.093 -6.927 245 HA ASP 36 HA ASP 36 -7.443 1.184 -9.425 246 1HB ASP 36 2HB ASP 36 -8.563 3.552 -8.362 247 2HB ASP 36 3HB ASP 36 -6.996 3.913 -9.100 248 H TRP 37 HN TRP 37 -6.079 1.923 -6.319 249 HA TRP 37 HA TRP 37 -3.539 2.942 -7.248 250 1HB TRP 37 2HB TRP 37 -4.446 3.529 -5.048 251 2HB TRP 37 3HB TRP 37 -4.461 1.829 -4.604 252 HD1 TRP 37 HD TRP 37 -1.900 4.647 -5.158 253 HE1 TRP 37 HNE TRP 37 0.223 4.054 -3.854 254 HE3 TRP 37 HE TRP 37 -3.164 -0.082 -3.778 255 HZ2 TRP 37 HZ1 TRP 37 1.238 1.786 -2.339 256 HZ3 TRP 37 HZ2 TRP 37 -1.568 -1.479 -2.429 257 HH2 TRP 37 HH TRP 37 0.610 -0.541 -1.707 258 H VAL 38 HN VAL 38 -1.490 1.886 -6.976 259 HA VAL 38 HA VAL 38 -1.426 -1.053 -7.189 260 HB VAL 38 HB VAL 38 -0.630 0.996 -9.303 261 1HG1 VAL 38 3HG1 VAL 38 0.222 -1.920 -9.256 262 2HG1 VAL 38 1HG1 VAL 38 0.405 -0.800 -10.611 263 3HG1 VAL 38 2HG1 VAL 38 1.295 -0.505 -9.119 264 1HG2 VAL 38 3HG2 VAL 38 -2.334 -1.535 -9.400 265 2HG2 VAL 38 1HG2 VAL 38 -2.933 0.133 -9.489 266 3HG2 VAL 38 2HG2 VAL 38 -1.944 -0.513 -10.797 267 H CYS 39 HN CYN 39 0.640 -1.864 -6.746 268 HA CYS 39 HA CYN 39 2.078 -0.704 -4.688 269 1HB CYS 39 2HB CYN 39 1.942 -3.094 -5.473 270 2HB CYS 39 3HB CYN 39 3.134 -2.690 -6.718 271 HA PRO 40 HA PRO 40 4.064 2.612 -6.658 272 1HB PRO 40 2HB PRO 40 6.349 3.056 -5.114 273 2HB PRO 40 3HB PRO 40 4.681 3.444 -4.622 274 1HG PRO 40 2HG PRO 40 6.205 0.956 -3.919 275 2HG PRO 40 3HG PRO 40 5.272 2.051 -2.843 276 1HD PRO 40 2HD PRO 40 4.154 -0.186 -3.734 277 2HD PRO 40 3HD PRO 40 3.201 1.321 -3.768 278 H LEU 41 HN LEU 41 6.577 0.126 -5.925 279 HA LEU 41 HA LEU 41 7.801 0.622 -8.625 280 1HB LEU 41 2HB LEU 41 9.206 0.325 -5.942 281 2HB LEU 41 3HB LEU 41 10.014 0.346 -7.514 282 HG LEU 41 HG LEU 41 8.393 2.671 -6.385 283 1HD1 LEU 41 1HD1 LEU 41 11.362 2.033 -6.367 284 2HD1 LEU 41 2HD1 LEU 41 10.762 3.701 -6.253 285 3HD1 LEU 41 3HD1 LEU 41 10.313 2.528 -5.020 286 1HD2 LEU 41 3HD2 LEU 41 10.233 2.477 -8.818 287 2HD2 LEU 41 1HD2 LEU 41 8.471 2.713 -8.864 288 3HD2 LEU 41 2HD2 LEU 41 9.503 3.969 -8.191 289 H CYS 42 HN CYN 42 6.085 -1.219 -8.707 290 HA CYS 42 HA CYN 42 7.499 -3.786 -8.830 291 1HB CYS 42 2HB CYN 42 7.104 -3.946 -6.578 292 2HB CYS 42 3HB CYN 42 5.624 -2.995 -6.658 293 H GLY 43 HN GLY 43 4.113 -2.661 -8.475 294 1HA GLY 43 2HA GLY 43 2.682 -2.163 -10.313 295 2HA GLY 43 3HA GLY 43 3.634 -3.187 -11.379 296 H VAL 44 HN VAL 44 2.045 -3.731 -8.169 297 HA VAL 44 HA VAL 44 0.201 -5.664 -9.468 298 HB VAL 44 HB VAL 44 0.205 -7.052 -7.473 299 1HG1 VAL 44 2HG1 VAL 44 1.703 -7.626 -9.354 300 2HG1 VAL 44 3HG1 VAL 44 3.026 -6.733 -8.575 301 3HG1 VAL 44 1HG1 VAL 44 2.344 -8.169 -7.792 302 1HG2 VAL 44 1HG2 VAL 44 2.455 -5.272 -6.458 303 2HG2 VAL 44 2HG2 VAL 44 0.853 -5.485 -5.726 304 3HG2 VAL 44 3HG2 VAL 44 1.995 -6.830 -5.765 305 H GLY 45 HN GLY 45 -1.866 -5.751 -8.478 306 1HA GLY 45 2HA GLY 45 -2.782 -3.175 -7.405 307 2HA GLY 45 3HA GLY 45 -3.758 -4.592 -7.826 308 H LYS 46 HN LYS 46 -4.664 -3.719 -5.659 309 HA LYS 46 HA LYS 46 -3.205 -4.419 -3.219 310 1HB LYS 46 2HB LYS 46 -6.115 -3.691 -3.672 311 2HB LYS 46 3HB LYS 46 -5.218 -3.723 -2.138 312 1HG LYS 46 2HG LYS 46 -3.934 -1.809 -2.806 313 2HG LYS 46 3HG LYS 46 -4.618 -1.847 -4.448 314 1HD LYS 46 2HD LYS 46 -5.902 -0.177 -3.309 315 2HD LYS 46 3HD LYS 46 -6.893 -1.640 -3.459 316 1HE LYS 46 2HE LYS 46 -6.123 -2.182 -1.022 317 2HE LYS 46 3HE LYS 46 -5.516 -0.544 -1.028 318 1HZ LYS 46 2HNZ LYS 46 -8.354 -1.199 -1.658 319 2HZ LYS 46 3HNZ LYS 46 -7.798 -0.662 -0.146 320 3HZ LYS 46 1HNZ LYS 46 -7.764 0.274 -1.474 321 H ASP 47 HN ASP 47 -2.807 -6.798 -3.674 322 HA ASP 47 HA ASP 47 -5.108 -8.381 -2.771 323 1HB ASP 47 2HB ASP 47 -3.705 -8.693 -5.416 324 2HB ASP 47 3HB ASP 47 -3.943 -10.166 -4.469 325 H GLN 48 HN GLN 48 -4.525 -10.124 -1.725 326 HA GLN 48 HA GLN 48 -3.448 -11.263 -0.049 327 1HB GLN 48 2HB GLN 48 -2.700 -12.221 -2.328 328 2HB GLN 48 3HB GLN 48 -1.167 -11.396 -2.046 329 1HG GLN 48 2HG GLN 48 -0.805 -13.594 -1.285 330 2HG GLN 48 3HG GLN 48 -1.069 -12.690 0.204 331 1HE2 GLN 48 2HNE GLN 48 -3.787 -15.525 -1.035 332 2HE2 GLN 48 1HNE GLN 48 -2.528 -14.965 -2.126 333 H PHE 49 HN PHE 49 -3.311 -8.834 0.877 334 HA PHE 49 HA PHE 49 -0.472 -8.157 1.484 335 1HB PHE 49 2HB PHE 49 -1.533 -6.006 2.297 336 2HB PHE 49 3HB PHE 49 -1.419 -6.304 0.580 337 HD1 PHE 49 HD2 PHE 49 -3.394 -6.766 -0.806 338 HD2 PHE 49 HD1 PHE 49 -3.779 -5.839 3.375 339 HE1 PHE 49 HE2 PHE 49 -5.873 -6.606 -1.052 340 HE2 PHE 49 HE1 PHE 49 -6.207 -5.517 3.092 341 HZ PHE 49 HZ PHE 49 -7.267 -5.938 0.877 342 H GLU 50 HN GLU 50 0.301 -8.932 3.316 343 HA GLU 50 HA GLU 50 -1.411 -9.860 5.530 344 1HB GLU 50 2HB GLU 50 1.572 -9.905 4.895 345 2HB GLU 50 3HB GLU 50 0.924 -10.498 6.416 346 1HG GLU 50 2HG GLU 50 -0.282 -12.269 5.350 347 2HG GLU 50 3HG GLU 50 -0.133 -11.536 3.744 348 H GLU 51 HN GLU 51 -1.236 -8.908 7.725 349 HA GLU 51 HA GLU 51 -0.636 -6.054 7.695 350 1HB GLU 51 2HB GLU 51 -2.725 -6.790 8.668 351 2HB GLU 51 3HB GLU 51 -1.911 -7.997 9.672 352 1HG GLU 51 2HG GLU 51 -0.884 -6.405 10.986 353 2HG GLU 51 3HG GLU 51 -1.362 -5.022 9.977 354 H VAL 52 HN VAL 52 1.001 -5.098 8.881 355 HA VAL 52 HA VAL 52 3.170 -6.789 9.964 356 HB VAL 52 HB VAL 52 3.019 -4.136 8.488 357 1HG1 VAL 52 1HG1 VAL 52 5.327 -5.328 10.072 358 2HG1 VAL 52 2HG1 VAL 52 5.485 -3.986 8.903 359 3HG1 VAL 52 3HG1 VAL 52 4.527 -3.772 10.372 360 1HG2 VAL 52 2HG2 VAL 52 3.133 -6.178 7.133 361 2HG2 VAL 52 3HG2 VAL 52 4.523 -5.087 6.982 362 3HG2 VAL 52 1HG2 VAL 52 4.671 -6.592 7.931 363 H GLU 53 HN GLU 53 2.592 -6.964 12.061 364 HA GLU 53 HA GLU 53 1.441 -4.918 13.652 365 1HB GLU 53 2HB GLU 53 1.654 -6.588 15.404 366 2HB GLU 53 3HB GLU 53 0.922 -7.237 13.939 367 1HG GLU 53 2HG GLU 53 3.271 -8.203 13.388 368 2HG GLU 53 3HG GLU 53 3.727 -7.697 14.998 369 H GLU 54 HN GLU 54 3.014 -3.323 13.167 370 HA GLU 54 HA GLU 54 5.387 -2.990 14.879 371 1HB GLU 54 2HB GLU 54 3.323 -0.921 14.128 372 2HB GLU 54 3HB GLU 54 4.905 -0.610 14.840 373 1HG GLU 54 2HG GLU 54 4.579 -1.954 12.123 374 2HG GLU 54 3HG GLU 54 4.584 -0.195 12.375 No H/Q in entry = 374 Start of MODEL 20 1 1H MET 1 1HN MET 1 -2.000 2.592 12.706 2 2H MET 1 2HN MET 1 -2.198 3.537 11.405 3 3H MET 1 3HN MET 1 -3.410 3.476 12.542 4 HA MET 1 HA MET 1 -3.995 1.330 11.995 5 1HB MET 1 2HB MET 1 -4.377 3.216 10.139 6 2HB MET 1 3HB MET 1 -3.169 2.341 9.274 7 1HG MET 1 2HG MET 1 -5.327 0.671 10.298 8 2HG MET 1 3HG MET 1 -5.751 1.818 9.037 9 1HE MET 1 1HE MET 1 -6.554 -0.806 8.372 10 2HE MET 1 2HE MET 1 -5.472 -1.847 7.426 11 3HE MET 1 3HE MET 1 -5.357 -1.812 9.200 12 H LYS 2 HN LYS 2 -3.306 -0.723 10.501 13 HA LYS 2 HA LYS 2 -0.536 -1.264 11.329 14 1HB LYS 2 2HB LYS 2 -2.704 -3.019 10.112 15 2HB LYS 2 3HB LYS 2 -1.050 -3.531 10.435 16 1HG LYS 2 2HG LYS 2 -1.973 -2.319 12.860 17 2HG LYS 2 3HG LYS 2 -3.281 -3.369 12.255 18 1HD LYS 2 2HD LYS 2 -1.497 -5.174 11.905 19 2HD LYS 2 3HD LYS 2 -0.360 -4.150 12.759 20 1HE LYS 2 2HE LYS 2 -3.044 -5.112 13.879 21 2HE LYS 2 3HE LYS 2 -1.532 -6.006 14.056 22 1HZ LYS 2 1HNZ LYS 2 -0.563 -4.058 15.128 23 2HZ LYS 2 2HNZ LYS 2 -1.979 -3.275 15.076 24 3HZ LYS 2 3HNZ LYS 2 -1.836 -4.650 15.990 25 H LYS 3 HN LYS 3 1.057 -2.019 9.945 26 HA LYS 3 HA LYS 3 1.121 -0.865 7.255 27 1HB LYS 3 2HB LYS 3 3.081 -2.471 8.919 28 2HB LYS 3 3HB LYS 3 3.455 -1.682 7.368 29 1HG LYS 3 2HG LYS 3 2.802 0.502 8.369 30 2HG LYS 3 3HG LYS 3 2.469 -0.285 9.891 31 1HD LYS 3 2HD LYS 3 4.928 -1.043 9.899 32 2HD LYS 3 3HD LYS 3 5.162 0.112 8.568 33 1HE LYS 3 2HE LYS 3 4.149 1.914 10.088 34 2HE LYS 3 3HE LYS 3 4.058 0.703 11.373 35 1HZ LYS 3 3HNZ LYS 3 6.405 0.479 11.291 36 2HZ LYS 3 1HNZ LYS 3 6.550 1.632 10.115 37 3HZ LYS 3 2HNZ LYS 3 5.987 2.021 11.623 38 H TYR 4 HN TYR 4 1.954 -2.367 5.530 39 HA TYR 4 HA TYR 4 0.883 -5.108 5.750 40 1HB TYR 4 2HB TYR 4 -0.291 -3.125 3.725 41 2HB TYR 4 3HB TYR 4 -0.299 -4.836 3.496 42 HD1 TYR 4 HD1 TYR 4 -1.432 -2.372 6.154 43 HD2 TYR 4 HD2 TYR 4 -2.134 -6.042 4.040 44 HE1 TYR 4 HE1 TYR 4 -3.319 -2.881 7.654 45 HE2 TYR 4 HE2 TYR 4 -4.173 -6.431 5.374 46 HH TYR 4 HOH TYR 4 -4.687 -5.074 8.342 47 H THR 5 HN THR 5 1.881 -6.679 4.387 48 HA THR 5 HA THR 5 4.297 -5.708 2.959 49 HB THR 5 HB THR 5 3.402 -8.594 3.198 50 HG1 THR 5 HG1 THR 5 4.724 -6.998 5.130 51 1HG2 THR 5 2HG2 THR 5 5.389 -8.090 1.775 52 2HG2 THR 5 3HG2 THR 5 6.158 -7.262 3.150 53 3HG2 THR 5 1HG2 THR 5 5.826 -9.004 3.225 54 H CYS 6 HN CYN 6 4.618 -5.885 0.684 55 HA CYS 6 HA CYN 6 2.282 -6.063 -1.005 56 1HB CYS 6 2HB CYN 6 4.144 -4.665 -1.640 57 2HB CYS 6 3HB CYN 6 5.225 -6.056 -1.584 58 H THR 7 HN THR 7 1.747 -7.673 -2.453 59 HA THR 7 HA THR 7 1.728 -10.329 -1.782 60 HB THR 7 HB THR 7 1.850 -9.069 -4.562 61 HG1 THR 7 HG1 THR 7 -0.436 -9.070 -4.283 62 1HG2 THR 7 2HG2 THR 7 0.639 -11.711 -3.625 63 2HG2 THR 7 3HG2 THR 7 0.378 -10.982 -5.227 64 3HG2 THR 7 1HG2 THR 7 1.994 -11.515 -4.756 65 H VAL 8 HN VAL 8 4.336 -8.566 -3.437 66 HA VAL 8 HA VAL 8 6.063 -10.981 -3.183 67 HB VAL 8 HB VAL 8 7.141 -10.415 -5.356 68 1HG1 VAL 8 3HG1 VAL 8 5.658 -12.338 -5.136 69 2HG1 VAL 8 1HG1 VAL 8 4.239 -11.319 -5.460 70 3HG1 VAL 8 2HG1 VAL 8 5.451 -11.579 -6.724 71 1HG2 VAL 8 2HG2 VAL 8 4.623 -8.757 -5.856 72 2HG2 VAL 8 3HG2 VAL 8 6.284 -8.137 -5.729 73 3HG2 VAL 8 1HG2 VAL 8 5.842 -9.205 -7.061 74 H CYS 9 HN CYN 9 5.985 -7.362 -3.472 75 HA CYS 9 HA CYN 9 8.806 -7.244 -3.103 76 1HB CYS 9 2HB CYN 9 6.907 -4.959 -2.610 77 2HB CYS 9 3HB CYN 9 8.581 -4.943 -3.181 78 H GLY 10 HN GLY 10 9.925 -6.096 -1.377 79 1HA GLY 10 2HA GLY 10 8.831 -6.655 1.350 80 2HA GLY 10 3HA GLY 10 10.515 -6.374 0.908 81 H TYR 11 HN TYR 11 8.401 -4.134 -0.678 82 HA TYR 11 HA TYR 11 9.668 -1.932 0.557 83 1HB TYR 11 2HB TYR 11 6.989 -1.964 -0.877 84 2HB TYR 11 3HB TYR 11 7.984 -0.546 -0.570 85 HD1 TYR 11 HD1 TYR 11 10.628 -1.005 -1.431 86 HD2 TYR 11 HD2 TYR 11 6.958 -2.480 -3.151 87 HE1 TYR 11 HE1 TYR 11 11.758 -1.303 -3.622 88 HE2 TYR 11 HE2 TYR 11 8.104 -2.837 -5.291 89 HH TYR 11 HOH TYR 11 9.963 -2.423 -6.510 90 H ILE 12 HN ILE 12 6.512 -3.387 1.164 91 HA ILE 12 HA ILE 12 5.070 -3.347 2.826 92 HB ILE 12 HB ILE 12 7.467 -2.431 4.396 93 1HG1 ILE 12 2HG1 ILE 12 5.539 -4.759 4.704 94 2HG1 ILE 12 3HG1 ILE 12 6.918 -4.806 3.601 95 1HG2 ILE 12 3HG2 ILE 12 4.630 -2.515 5.488 96 2HG2 ILE 12 1HG2 ILE 12 6.099 -2.479 6.481 97 3HG2 ILE 12 2HG2 ILE 12 5.713 -1.104 5.471 98 1HD1 ILE 12 1HD1 ILE 12 7.142 -4.441 6.616 99 2HD1 ILE 12 2HD1 ILE 12 7.462 -5.915 5.691 100 3HD1 ILE 12 3HD1 ILE 12 8.485 -4.486 5.449 101 H TYR 13 HN TYR 13 3.291 -2.229 2.631 102 HA TYR 13 HA TYR 13 3.315 0.660 2.120 103 1HB TYR 13 2HB TYR 13 1.595 -0.669 1.048 104 2HB TYR 13 3HB TYR 13 1.080 -1.343 2.596 105 HD1 TYR 13 HD2 TYR 13 1.341 1.850 0.666 106 HD2 TYR 13 HD1 TYR 13 -0.670 -0.274 3.770 107 HE1 TYR 13 HE2 TYR 13 0.042 3.892 1.191 108 HE2 TYR 13 HE1 TYR 13 -1.904 1.823 4.422 109 HH TYR 13 HOH TYR 13 -2.438 4.141 3.747 110 H ASN 14 HN ASN 14 3.107 2.207 3.671 111 HA ASN 14 HA ASN 14 2.523 1.386 6.472 112 1HB ASN 14 2HB ASN 14 4.911 2.022 6.229 113 2HB ASN 14 3HB ASN 14 4.424 3.542 5.510 114 1HD2 ASN 14 2HND ASN 14 5.045 4.328 9.035 115 2HD2 ASN 14 1HND ASN 14 5.746 4.366 7.440 116 HA PRO 15 HA PRO 15 -0.829 4.105 5.389 117 1HB PRO 15 2HB PRO 15 -2.126 4.093 7.946 118 2HB PRO 15 3HB PRO 15 -2.451 2.992 6.603 119 1HG PRO 15 2HG PRO 15 -0.815 2.543 9.051 120 2HG PRO 15 3HG PRO 15 -1.658 1.356 8.004 121 1HD PRO 15 2HD PRO 15 1.043 1.815 8.120 122 2HD PRO 15 3HD PRO 15 0.239 0.971 6.784 123 H GLU 16 HN GLU 16 1.015 4.561 8.393 124 HA GLU 16 HA GLU 16 0.169 7.237 8.817 125 1HB GLU 16 2HB GLU 16 2.737 5.807 9.580 126 2HB GLU 16 3HB GLU 16 2.174 7.362 10.181 127 1HG GLU 16 2HG GLU 16 -0.043 6.070 10.807 128 2HG GLU 16 3HG GLU 16 0.927 4.601 10.593 129 H ASP 17 HN ASP 17 2.458 5.838 6.606 130 HA ASP 17 HA ASP 17 3.649 8.496 5.880 131 1HB ASP 17 2HB ASP 17 4.308 5.639 5.175 132 2HB ASP 17 3HB ASP 17 4.961 6.992 4.264 133 H GLY 18 HN GLY 18 1.416 5.998 4.770 134 1HA GLY 18 2HA GLY 18 0.094 5.794 2.992 135 2HA GLY 18 3HA GLY 18 0.266 7.512 2.627 136 H ASP 19 HN ASP 19 0.501 7.073 0.402 137 HA ASP 19 HA ASP 19 3.208 6.518 -0.483 138 1HB ASP 19 2HB ASP 19 1.145 4.479 -0.801 139 2HB ASP 19 3HB ASP 19 1.634 5.043 -2.375 140 HA PRO 20 HA PRO 20 0.403 9.946 -2.003 141 1HB PRO 20 2HB PRO 20 2.187 12.062 -1.723 142 2HB PRO 20 3HB PRO 20 1.037 11.494 -0.473 143 1HG PRO 20 2HG PRO 20 3.968 10.813 -0.769 144 2HG PRO 20 3HG PRO 20 3.082 11.236 0.724 145 1HD PRO 20 2HD PRO 20 3.636 8.670 0.107 146 2HD PRO 20 3HD PRO 20 2.052 9.100 0.814 147 H ASP 21 HN ASP 21 3.868 9.370 -2.816 148 HA ASP 21 HA ASP 21 4.080 10.662 -5.225 149 1HB ASP 21 2HB ASP 21 5.189 7.981 -4.253 150 2HB ASP 21 3HB ASP 21 5.822 8.902 -5.620 151 H ASN 22 HN ASN 22 2.326 7.779 -4.420 152 HA ASN 22 HA ASN 22 1.886 6.975 -7.245 153 1HB ASN 22 2HB ASN 22 1.008 5.515 -4.755 154 2HB ASN 22 3HB ASN 22 1.159 4.856 -6.379 155 1HD2 ASN 22 2HND ASN 22 4.217 4.986 -3.642 156 2HD2 ASN 22 1HND ASN 22 2.943 6.117 -3.599 157 H GLY 23 HN GLY 23 0.372 8.151 -4.367 158 1HA GLY 23 2HA GLY 23 -1.359 9.814 -5.086 159 2HA GLY 23 3HA GLY 23 -2.250 8.455 -5.782 160 H VAL 24 HN VAL 24 -0.673 7.655 -2.765 161 HA VAL 24 HA VAL 24 -3.334 7.756 -1.377 162 HB VAL 24 HB VAL 24 -0.921 5.959 -1.169 163 1HG1 VAL 24 1HG1 VAL 24 -3.364 6.087 0.629 164 2HG1 VAL 24 2HG1 VAL 24 -2.234 4.720 0.560 165 3HG1 VAL 24 3HG1 VAL 24 -1.670 6.294 1.137 166 1HG2 VAL 24 1HG2 VAL 24 -2.729 5.591 -2.956 167 2HG2 VAL 24 2HG2 VAL 24 -2.517 4.245 -1.812 168 3HG2 VAL 24 3HG2 VAL 24 -3.887 5.365 -1.645 169 H ASN 25 HN ASN 25 -3.500 9.405 -0.011 170 HA ASN 25 HA ASN 25 -1.245 10.981 0.830 171 1HB ASN 25 2HB ASN 25 -4.204 10.904 1.509 172 2HB ASN 25 3HB ASN 25 -3.105 11.877 2.478 173 1HD2 ASN 25 2HND ASN 25 -3.473 12.937 -1.501 174 2HD2 ASN 25 1HND ASN 25 -3.517 11.242 -1.084 175 HA PRO 26 HA PRO 26 -0.094 8.786 4.538 176 1HB PRO 26 2HB PRO 26 0.372 10.919 6.308 177 2HB PRO 26 3HB PRO 26 1.530 10.192 5.180 178 1HG PRO 26 2HG PRO 26 -0.057 12.717 4.878 179 2HG PRO 26 3HG PRO 26 1.574 12.324 4.245 180 1HD PRO 26 2HD PRO 26 -0.718 12.348 2.708 181 2HD PRO 26 3HD PRO 26 0.711 11.336 2.340 182 H GLY 27 HN GLY 27 -1.018 8.036 6.367 183 1HA GLY 27 2HA GLY 27 -2.563 7.727 8.032 184 2HA GLY 27 3HA GLY 27 -3.291 9.307 7.690 185 H THR 28 HN THR 28 -2.911 7.035 4.913 186 HA THR 28 HA THR 28 -5.856 6.798 4.921 187 HB THR 28 HB THR 28 -3.685 6.090 2.893 188 HG1 THR 28 HG1 THR 28 -3.930 8.284 2.966 189 1HG2 THR 28 3HG2 THR 28 -6.731 6.004 2.752 190 2HG2 THR 28 1HG2 THR 28 -5.662 5.918 1.329 191 3HG2 THR 28 2HG2 THR 28 -5.572 4.666 2.578 192 H ASP 29 HN ASP 29 -6.719 5.091 5.782 193 HA ASP 29 HA ASP 29 -5.346 2.767 6.690 194 1HB ASP 29 2HB ASP 29 -7.664 3.585 7.315 195 2HB ASP 29 3HB ASP 29 -8.233 2.955 5.788 196 H PHE 30 HN PHE 30 -4.871 0.953 5.637 197 HA PHE 30 HA PHE 30 -4.505 0.807 2.828 198 1HB PHE 30 2HB PHE 30 -3.541 -0.586 4.822 199 2HB PHE 30 3HB PHE 30 -5.032 -1.518 4.768 200 HD1 PHE 30 HD1 PHE 30 -2.558 -0.107 2.326 201 HD2 PHE 30 HD2 PHE 30 -4.890 -3.539 3.477 202 HE1 PHE 30 HE1 PHE 30 -1.420 -1.433 0.592 203 HE2 PHE 30 HE2 PHE 30 -3.615 -4.915 1.906 204 HZ PHE 30 HZ PHE 30 -1.906 -3.813 0.411 205 H LYS 31 HN LYS 31 -7.426 0.138 4.806 206 HA LYS 31 HA LYS 31 -8.618 -1.483 2.691 207 1HB LYS 31 2HB LYS 31 -10.571 -1.505 3.973 208 2HB LYS 31 3HB LYS 31 -9.188 -1.672 5.072 209 1HG LYS 31 2HG LYS 31 -9.347 0.907 5.332 210 2HG LYS 31 3HG LYS 31 -10.868 0.768 4.495 211 1HD LYS 31 2HD LYS 31 -11.664 -0.806 6.277 212 2HD LYS 31 3HD LYS 31 -10.061 -0.712 7.030 213 1HE LYS 31 2HE LYS 31 -11.717 0.752 8.215 214 2HE LYS 31 3HE LYS 31 -10.325 1.634 7.590 215 1HZ LYS 31 3HNZ LYS 31 -11.632 2.361 5.718 216 2HZ LYS 31 1HNZ LYS 31 -12.952 1.586 6.280 217 3HZ LYS 31 2HNZ LYS 31 -12.276 2.844 7.113 218 H ASP 32 HN ASP 32 -8.481 1.914 3.616 219 HA ASP 32 HA ASP 32 -10.658 2.800 1.904 220 1HB ASP 32 2HB ASP 32 -8.594 4.243 3.632 221 2HB ASP 32 3HB ASP 32 -9.863 5.062 2.744 222 H ILE 33 HN ILE 33 -7.252 2.117 1.433 223 HA ILE 33 HA ILE 33 -6.599 3.932 -0.527 224 HB ILE 33 HB ILE 33 -6.004 1.008 -0.227 225 1HG1 ILE 33 2HG1 ILE 33 -4.699 3.597 0.658 226 2HG1 ILE 33 3HG1 ILE 33 -5.255 2.332 1.680 227 1HG2 ILE 33 1HG2 ILE 33 -5.507 1.724 -2.496 228 2HG2 ILE 33 2HG2 ILE 33 -4.376 2.917 -1.792 229 3HG2 ILE 33 3HG2 ILE 33 -4.146 1.163 -1.526 230 1HD1 ILE 33 2HD1 ILE 33 -3.484 0.832 0.550 231 2HD1 ILE 33 3HD1 ILE 33 -2.771 2.347 -0.060 232 3HD1 ILE 33 1HD1 ILE 33 -2.945 2.087 1.680 233 HA PRO 34 HA PRO 34 -9.679 2.758 -3.608 234 1HB PRO 34 2HB PRO 34 -8.289 3.823 -5.844 235 2HB PRO 34 3HB PRO 34 -9.485 4.653 -4.828 236 1HG PRO 34 2HG PRO 34 -6.564 5.032 -4.934 237 2HG PRO 34 3HG PRO 34 -7.783 6.041 -4.110 238 1HD PRO 34 2HD PRO 34 -5.982 4.084 -2.955 239 2HD PRO 34 3HD PRO 34 -7.124 5.129 -2.102 240 H ASP 35 HN ASP 35 -9.897 0.948 -4.952 241 HA ASP 35 HA ASP 35 -7.795 -0.958 -5.021 242 1HB ASP 35 2HB ASP 35 -10.631 -0.716 -5.843 243 2HB ASP 35 3HB ASP 35 -9.700 -1.524 -7.078 244 H ASP 36 HN ASP 36 -8.382 1.809 -6.957 245 HA ASP 36 HA ASP 36 -7.134 0.980 -9.406 246 1HB ASP 36 2HB ASP 36 -8.543 3.227 -8.423 247 2HB ASP 36 3HB ASP 36 -7.013 3.748 -9.142 248 H TRP 37 HN TRP 37 -5.936 1.784 -6.276 249 HA TRP 37 HA TRP 37 -3.492 3.103 -7.095 250 1HB TRP 37 2HB TRP 37 -4.443 3.490 -4.909 251 2HB TRP 37 3HB TRP 37 -4.380 1.769 -4.543 252 HD1 TRP 37 HD TRP 37 -1.889 4.677 -5.004 253 HE1 TRP 37 HNE TRP 37 0.185 4.156 -3.562 254 HE3 TRP 37 HE TRP 37 -3.034 -0.049 -3.658 255 HZ2 TRP 37 HZ1 TRP 37 1.233 1.925 -2.052 256 HZ3 TRP 37 HZ2 TRP 37 -1.464 -1.423 -2.246 257 HH2 TRP 37 HH TRP 37 0.656 -0.415 -1.432 258 H VAL 38 HN VAL 38 -1.333 2.208 -6.667 259 HA VAL 38 HA VAL 38 -1.030 -0.646 -7.348 260 HB VAL 38 HB VAL 38 0.612 0.169 -9.045 261 1HG1 VAL 38 3HG1 VAL 38 -1.742 -0.569 -9.610 262 2HG1 VAL 38 1HG1 VAL 38 -2.233 1.131 -9.603 263 3HG1 VAL 38 2HG1 VAL 38 -1.043 0.566 -10.786 264 1HG2 VAL 38 3HG2 VAL 38 0.936 2.504 -8.241 265 2HG2 VAL 38 1HG2 VAL 38 0.485 2.425 -9.950 266 3HG2 VAL 38 2HG2 VAL 38 -0.723 2.895 -8.747 267 H CYS 39 HN CYN 39 1.052 -1.452 -6.876 268 HA CYS 39 HA CYN 39 2.169 -0.411 -4.441 269 1HB CYS 39 2HB CYN 39 1.870 -2.718 -4.780 270 2HB CYS 39 3HB CYN 39 2.781 -2.732 -6.281 271 HA PRO 40 HA PRO 40 5.144 2.207 -6.540 272 1HB PRO 40 2HB PRO 40 7.063 2.514 -4.572 273 2HB PRO 40 3HB PRO 40 5.480 3.334 -4.544 274 1HG PRO 40 2HG PRO 40 6.256 0.775 -3.131 275 2HG PRO 40 3HG PRO 40 5.398 2.192 -2.451 276 1HD PRO 40 2HD PRO 40 4.063 -0.004 -3.273 277 2HD PRO 40 3HD PRO 40 3.395 1.626 -3.594 278 H LEU 41 HN LEU 41 6.679 1.630 -8.006 279 HA LEU 41 HA LEU 41 8.302 0.455 -9.104 280 1HB LEU 41 2HB LEU 41 9.368 -0.109 -6.318 281 2HB LEU 41 3HB LEU 41 10.284 -0.181 -7.827 282 HG LEU 41 HG LEU 41 9.095 2.311 -6.520 283 1HD1 LEU 41 2HD1 LEU 41 11.020 1.326 -5.328 284 2HD1 LEU 41 3HD1 LEU 41 11.970 1.344 -6.827 285 3HD1 LEU 41 1HD1 LEU 41 11.452 2.871 -6.081 286 1HD2 LEU 41 1HD2 LEU 41 10.791 2.004 -9.043 287 2HD2 LEU 41 2HD2 LEU 41 9.124 2.620 -8.955 288 3HD2 LEU 41 3HD2 LEU 41 10.444 3.545 -8.229 289 H CYS 42 HN CYN 42 6.036 -0.914 -9.042 290 HA CYS 42 HA CYN 42 6.694 -3.715 -9.178 291 1HB CYS 42 2HB CYN 42 6.312 -3.382 -6.768 292 2HB CYS 42 3HB CYN 42 4.792 -2.572 -7.131 293 H GLY 43 HN GLY 43 4.169 -4.641 -9.580 294 1HA GLY 43 2HA GLY 43 3.192 -3.119 -11.916 295 2HA GLY 43 3HA GLY 43 2.723 -4.748 -11.421 296 H VAL 44 HN VAL 44 0.934 -5.021 -9.996 297 HA VAL 44 HA VAL 44 -0.386 -2.650 -8.889 298 HB VAL 44 HB VAL 44 -2.487 -3.030 -9.920 299 1HG1 VAL 44 2HG1 VAL 44 -0.806 -1.775 -11.344 300 2HG1 VAL 44 3HG1 VAL 44 -0.542 -3.277 -12.248 301 3HG1 VAL 44 1HG1 VAL 44 -2.143 -2.516 -12.233 302 1HG2 VAL 44 1HG2 VAL 44 -1.325 -5.493 -11.284 303 2HG2 VAL 44 2HG2 VAL 44 -2.601 -5.463 -10.046 304 3HG2 VAL 44 3HG2 VAL 44 -2.910 -4.775 -11.638 305 H GLY 45 HN GLY 45 -2.054 -3.273 -7.334 306 1HA GLY 45 2HA GLY 45 -3.164 -5.495 -6.531 307 2HA GLY 45 3HA GLY 45 -1.504 -5.882 -6.032 308 H LYS 46 HN LYS 46 -3.916 -5.400 -4.344 309 HA LYS 46 HA LYS 46 -2.526 -4.061 -2.293 310 1HB LYS 46 2HB LYS 46 -3.968 -2.254 -1.823 311 2HB LYS 46 3HB LYS 46 -3.521 -2.108 -3.519 312 1HG LYS 46 2HG LYS 46 -5.620 -2.491 -4.336 313 2HG LYS 46 3HG LYS 46 -6.126 -3.501 -2.986 314 1HD LYS 46 2HD LYS 46 -5.973 -0.497 -2.993 315 2HD LYS 46 3HD LYS 46 -7.395 -1.557 -2.982 316 1HE LYS 46 2HE LYS 46 -6.161 -2.548 -0.789 317 2HE LYS 46 3HE LYS 46 -5.490 -0.953 -0.743 318 1HZ LYS 46 2HNZ LYS 46 -7.912 -0.163 -0.911 319 2HZ LYS 46 3HNZ LYS 46 -8.348 -1.727 -0.621 320 3HZ LYS 46 1HNZ LYS 46 -7.449 -0.889 0.487 321 H ASP 47 HN ASP 47 -4.291 -3.947 -0.382 322 HA ASP 47 HA ASP 47 -5.790 -4.829 0.976 323 1HB ASP 47 2HB ASP 47 -7.253 -4.488 -1.133 324 2HB ASP 47 3HB ASP 47 -7.225 -6.241 -1.282 325 H GLN 48 HN GLN 48 -5.311 -7.383 -1.432 326 HA GLN 48 HA GLN 48 -5.268 -9.640 0.262 327 1HB GLN 48 2HB GLN 48 -5.643 -9.685 -2.123 328 2HB GLN 48 3HB GLN 48 -4.000 -9.119 -2.467 329 1HG GLN 48 2HG GLN 48 -3.004 -11.141 -1.777 330 2HG GLN 48 3HG GLN 48 -4.439 -11.663 -0.877 331 1HE2 GLN 48 2HNE GLN 48 -4.291 -13.700 -3.974 332 2HE2 GLN 48 1HNE GLN 48 -3.210 -13.436 -2.613 333 H PHE 49 HN PHE 49 -2.837 -7.246 -0.275 334 HA PHE 49 HA PHE 49 -0.371 -8.398 0.413 335 1HB PHE 49 2HB PHE 49 -1.756 -5.826 1.184 336 2HB PHE 49 3HB PHE 49 -0.138 -6.005 1.545 337 HD1 PHE 49 HD1 PHE 49 -1.017 -7.488 -1.738 338 HD2 PHE 49 HD2 PHE 49 0.509 -4.006 0.328 339 HE1 PHE 49 HE1 PHE 49 -0.226 -6.568 -3.854 340 HE2 PHE 49 HE2 PHE 49 1.324 -3.119 -1.840 341 HZ PHE 49 HZ PHE 49 0.999 -4.449 -3.913 342 H GLU 50 HN GLU 50 0.642 -8.953 2.487 343 HA GLU 50 HA GLU 50 -1.313 -9.894 4.451 344 1HB GLU 50 2HB GLU 50 1.732 -9.794 4.566 345 2HB GLU 50 3HB GLU 50 0.676 -10.633 5.694 346 1HG GLU 50 2HG GLU 50 1.061 -12.420 4.308 347 2HG GLU 50 3HG GLU 50 -0.191 -11.669 3.307 348 H GLU 51 HN GLU 51 -1.284 -9.168 6.794 349 HA GLU 51 HA GLU 51 -0.844 -6.276 7.013 350 1HB GLU 51 2HB GLU 51 -2.934 -7.213 7.857 351 2HB GLU 51 3HB GLU 51 -2.054 -8.427 8.818 352 1HG GLU 51 2HG GLU 51 -1.136 -6.877 10.223 353 2HG GLU 51 3HG GLU 51 -1.577 -5.471 9.217 354 H VAL 52 HN VAL 52 0.888 -5.430 8.136 355 HA VAL 52 HA VAL 52 2.945 -7.242 9.221 356 HB VAL 52 HB VAL 52 2.858 -4.411 8.105 357 1HG1 VAL 52 2HG1 VAL 52 5.044 -5.621 9.858 358 2HG1 VAL 52 3HG1 VAL 52 5.179 -4.110 8.920 359 3HG1 VAL 52 1HG1 VAL 52 4.015 -4.224 10.248 360 1HG2 VAL 52 1HG2 VAL 52 3.274 -6.213 6.583 361 2HG2 VAL 52 2HG2 VAL 52 4.711 -5.193 6.789 362 3HG2 VAL 52 3HG2 VAL 52 4.643 -6.791 7.570 363 H GLU 53 HN GLU 53 2.602 -7.644 11.290 364 HA GLU 53 HA GLU 53 0.887 -6.260 13.008 365 1HB GLU 53 2HB GLU 53 1.712 -7.848 14.635 366 2HB GLU 53 3HB GLU 53 1.193 -8.596 13.122 367 1HG GLU 53 2HG GLU 53 3.651 -8.816 12.469 368 2HG GLU 53 3HG GLU 53 4.067 -8.193 14.065 369 H GLU 54 HN GLU 54 2.163 -4.231 12.395 370 HA GLU 54 HA GLU 54 3.702 -3.361 14.824 371 1HB GLU 54 2HB GLU 54 3.220 -1.845 12.230 372 2HB GLU 54 3HB GLU 54 4.066 -1.248 13.661 373 1HG GLU 54 2HG GLU 54 5.348 -3.721 12.975 374 2HG GLU 54 3HG GLU 54 5.131 -2.824 11.470 No H/Q in entry = 374
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