NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10448 | 1prl | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 9 HT3 THR 9 13.060 30.135 30.135 2 2H THR 9 HT2 THR 9 14.444 30.196 30.196 3 3H THR 9 HT1 THR 9 13.370 28.885 28.885 4 HA THR 9 HA THR 9 15.200 28.089 28.089 5 HB THR 9 HB THR 9 15.184 29.817 29.817 6 HG1 THR 9 HG1 THR 9 14.945 31.691 31.691 7 1HG2 THR 9 HG21 THR 9 17.072 28.891 28.891 8 2HG2 THR 9 HG23 THR 9 17.551 30.295 30.295 9 3HG2 THR 9 HG22 THR 9 17.198 28.764 28.764 10 H PHE 10 HN PHE 10 14.627 26.453 26.453 11 HA PHE 10 HA PHE 10 11.944 26.596 26.596 12 1HB PHE 10 HB2 PHE 10 13.877 24.429 24.429 13 2HB PHE 10 HB1 PHE 10 12.771 24.132 24.132 14 HD1 PHE 10 HD2 PHE 10 12.116 26.208 26.208 15 HD2 PHE 10 HD1 PHE 10 11.249 22.568 22.568 16 HE1 PHE 10 HE2 PHE 10 10.307 25.742 25.742 17 HE2 PHE 10 HE1 PHE 10 9.442 22.107 22.107 18 HZ PHE 10 HZ PHE 10 8.970 23.692 23.692 19 H VAL 11 HN VAL 11 11.715 25.780 25.780 20 HA VAL 11 HA VAL 11 14.086 26.563 26.563 21 HB VAL 11 HB VAL 11 11.146 27.120 27.120 22 1HG1 VAL 11 HG11 VAL 11 12.400 26.354 26.354 23 2HG1 VAL 11 HG13 VAL 11 13.483 27.727 27.727 24 3HG1 VAL 11 HG12 VAL 11 11.773 27.999 27.999 25 1HG2 VAL 11 HG22 VAL 11 12.965 28.573 28.573 26 2HG2 VAL 11 HG21 VAL 11 11.622 29.291 29.291 27 3HG2 VAL 11 HG23 VAL 11 13.225 29.220 29.220 28 H ALA 12 HN ALA 12 14.672 25.084 25.084 29 HA ALA 12 HA ALA 12 13.306 22.504 22.504 30 1HB ALA 12 HB1 ALA 12 15.756 23.641 23.641 31 2HB ALA 12 HB3 ALA 12 15.079 22.120 22.120 32 3HB ALA 12 HB2 ALA 12 15.617 22.262 22.262 33 H LEU 13 HN LEU 13 11.413 22.369 22.369 34 HA LEU 13 HA LEU 13 10.824 24.045 24.045 35 1HB LEU 13 HB2 LEU 13 9.391 21.553 21.553 36 2HB LEU 13 HB1 LEU 13 8.747 22.779 22.779 37 HG LEU 13 HG LEU 13 9.596 23.269 23.269 38 1HD1 LEU 13 HD11 LEU 13 7.053 22.470 22.470 39 2HD1 LEU 13 HD13 LEU 13 6.926 23.810 23.810 40 3HD1 LEU 13 HD12 LEU 13 7.583 22.261 22.261 41 1HD2 LEU 13 HD21 LEU 13 8.427 25.021 25.021 42 2HD2 LEU 13 HD23 LEU 13 9.898 25.288 25.288 43 3HD2 LEU 13 HD22 LEU 13 8.320 25.446 25.446 44 H TYR 14 HN TYR 14 11.160 20.491 20.491 45 HA TYR 14 HA TYR 14 11.775 20.372 20.372 46 1HB TYR 14 HB2 TYR 14 11.461 17.964 17.964 47 2HB TYR 14 HB1 TYR 14 11.153 18.103 18.103 48 HD1 TYR 14 HD2 TYR 14 9.708 20.941 20.941 49 HD2 TYR 14 HD1 TYR 14 9.156 16.958 16.958 50 HE1 TYR 14 HE2 TYR 14 7.378 21.458 21.458 51 HE2 TYR 14 HE1 TYR 14 6.815 17.465 17.465 52 HH TYR 14 HH TYR 14 5.329 20.479 20.479 53 H ASP 15 HN ASP 15 13.767 19.657 19.657 54 HA ASP 15 HA ASP 15 16.051 19.975 19.975 55 1HB ASP 15 HB2 ASP 15 17.183 18.684 18.684 56 2HB ASP 15 HB1 ASP 15 16.444 20.244 20.244 57 H TYR 16 HN TYR 16 16.501 18.653 18.653 58 HA TYR 16 HA TYR 16 15.687 15.834 15.834 59 1HB TYR 16 HB2 TYR 16 15.502 16.896 16.896 60 2HB TYR 16 HB1 TYR 16 17.106 17.616 17.616 61 HD1 TYR 16 HD1 TYR 16 16.083 14.100 14.100 62 HD2 TYR 16 HD2 TYR 16 18.283 16.687 16.687 63 HE1 TYR 16 HE1 TYR 16 17.055 12.154 12.154 64 HE2 TYR 16 HE2 TYR 16 19.256 14.741 14.741 65 HH TYR 16 HH TYR 16 18.372 11.432 11.432 66 H GLU 17 HN GLU 17 16.929 14.364 14.364 67 HA GLU 17 HA GLU 17 19.841 14.899 14.899 68 1HB GLU 17 HB2 GLU 17 18.776 14.392 14.392 69 2HB GLU 17 HB1 GLU 17 17.929 13.010 13.010 70 1HG GLU 17 HG2 GLU 17 20.176 11.953 11.953 71 2HG GLU 17 HG1 GLU 17 20.913 13.277 13.277 72 H SER 18 HN SER 18 20.856 14.142 14.142 73 HA SER 18 HA SER 18 19.961 11.748 11.748 74 1HB SER 18 HB2 SER 18 22.179 13.719 13.719 75 2HB SER 18 HB1 SER 18 22.412 12.130 12.130 76 HG SER 18 HG SER 18 20.825 14.172 14.172 77 H ARG 19 HN ARG 19 21.069 9.723 9.723 78 HA ARG 19 HA ARG 19 22.633 9.160 9.160 79 1HB ARG 19 HB2 ARG 19 20.635 7.734 7.734 80 2HB ARG 19 HB1 ARG 19 22.124 6.791 6.791 81 1HG ARG 19 HG2 ARG 19 21.377 8.004 8.004 82 2HG ARG 19 HG1 ARG 19 20.392 6.651 6.651 83 1HD ARG 19 HD2 ARG 19 22.237 5.179 5.179 84 2HD ARG 19 HD1 ARG 19 23.405 6.499 6.499 85 HE ARG 19 HE ARG 19 23.221 6.562 6.562 86 1HH1 ARG 19 HH21 ARG 19 20.628 4.810 4.810 87 2HH1 ARG 19 HH22 ARG 19 19.992 4.240 4.240 88 1HH2 ARG 19 HH11 ARG 19 22.399 5.823 5.823 89 2HH2 ARG 19 HH12 ARG 19 20.992 4.813 4.813 90 H THR 20 HN THR 20 23.053 9.652 9.652 91 HA THR 20 HA THR 20 25.732 8.325 8.325 92 HB THR 20 HB THR 20 24.230 7.311 7.311 93 HG1 THR 20 HG1 THR 20 26.384 7.352 7.352 94 1HG2 THR 20 HG22 THR 20 23.970 10.184 10.184 95 2HG2 THR 20 HG21 THR 20 23.835 8.925 8.925 96 3HG2 THR 20 HG23 THR 20 22.721 8.945 8.945 97 H GLU 21 HN GLU 21 27.262 9.471 9.471 98 HA GLU 21 HA GLU 21 27.303 12.311 12.311 99 1HB GLU 21 HB2 GLU 21 29.489 12.212 12.212 100 2HB GLU 21 HB1 GLU 21 29.431 11.281 11.281 101 1HG GLU 21 HG2 GLU 21 29.109 9.236 9.236 102 2HG GLU 21 HG1 GLU 21 28.693 10.068 10.068 103 H THR 22 HN THR 22 26.329 10.386 10.386 104 HA THR 22 HA THR 22 26.753 12.156 12.156 105 HB THR 22 HB THR 22 24.272 10.461 10.461 106 HG1 THR 22 HG1 THR 22 26.688 9.631 9.631 107 1HG2 THR 22 HG23 THR 22 24.383 12.050 12.050 108 2HG2 THR 22 HG22 THR 22 25.822 11.195 11.195 109 3HG2 THR 22 HG21 THR 22 24.274 10.355 10.355 110 H ASP 23 HN ASP 23 23.562 11.747 11.747 111 HA ASP 23 HA ASP 23 22.741 14.412 14.412 112 1HB ASP 23 HB2 ASP 23 21.316 12.841 12.841 113 2HB ASP 23 HB1 ASP 23 20.640 13.843 13.843 114 H LEU 24 HN LEU 24 23.092 16.277 16.277 115 HA LEU 24 HA LEU 24 24.494 16.162 16.162 116 1HB LEU 24 HB2 LEU 24 23.329 18.724 18.724 117 2HB LEU 24 HB1 LEU 24 24.905 18.418 18.418 118 HG LEU 24 HG LEU 24 24.025 17.764 17.764 119 1HD1 LEU 24 HD12 LEU 24 25.889 19.727 19.727 120 2HD1 LEU 24 HD11 LEU 24 26.249 19.139 19.139 121 3HD1 LEU 24 HD13 LEU 24 24.732 19.981 19.981 122 1HD2 LEU 24 HD21 LEU 24 25.480 15.998 15.998 123 2HD2 LEU 24 HD23 LEU 24 26.022 16.565 16.565 124 3HD2 LEU 24 HD22 LEU 24 26.759 17.206 17.206 125 H SER 25 HN SER 25 23.673 17.247 17.247 126 HA SER 25 HA SER 25 20.738 16.829 16.829 127 1HB SER 25 HB2 SER 25 21.989 17.409 17.409 128 2HB SER 25 HB1 SER 25 21.301 15.880 15.880 129 HG SER 25 HG SER 25 23.418 15.478 15.478 130 H PHE 26 HN PHE 26 19.411 18.516 18.516 131 HA PHE 26 HA PHE 26 20.763 21.149 21.149 132 1HB PHE 26 HB2 PHE 26 18.889 22.226 22.226 133 2HB PHE 26 HB1 PHE 26 19.897 21.191 21.191 134 HD1 PHE 26 HD1 PHE 26 16.752 21.237 21.237 135 HD2 PHE 26 HD2 PHE 26 18.894 19.399 19.399 136 HE1 PHE 26 HE1 PHE 26 14.735 19.971 19.971 137 HE2 PHE 26 HE2 PHE 26 16.877 18.143 18.143 138 HZ PHE 26 HZ PHE 26 14.798 18.425 18.425 139 H LYS 27 HN LYS 27 19.843 22.441 22.441 140 HA LYS 27 HA LYS 27 17.874 21.104 21.104 141 1HB LYS 27 HB2 LYS 27 19.254 23.774 23.774 142 2HB LYS 27 HB1 LYS 27 18.436 22.808 22.808 143 1HG LYS 27 HG2 LYS 27 20.164 20.954 20.954 144 2HG LYS 27 HG1 LYS 27 21.093 22.364 22.364 145 1HD LYS 27 HD2 LYS 27 21.543 22.986 22.986 146 2HD LYS 27 HD1 LYS 27 19.918 22.586 22.586 147 1HE LYS 27 HE2 LYS 27 20.526 20.169 20.169 148 2HE LYS 27 HE1 LYS 27 22.169 20.621 20.621 149 1HZ LYS 27 HZ2 LYS 27 21.890 22.134 22.134 150 2HZ LYS 27 HZ1 LYS 27 20.807 20.901 20.901 151 3HZ LYS 27 HZ3 LYS 27 22.429 20.527 20.527 152 H LYS 28 HN LYS 28 16.450 23.140 23.140 153 HA LYS 28 HA LYS 28 14.609 23.820 23.820 154 1HB LYS 28 HB2 LYS 28 13.661 23.193 23.193 155 2HB LYS 28 HB1 LYS 28 14.591 24.443 24.443 156 1HG LYS 28 HG2 LYS 28 13.279 26.170 26.170 157 2HG LYS 28 HG1 LYS 28 12.755 25.218 25.218 158 1HD LYS 28 HD2 LYS 28 11.153 24.057 24.057 159 2HD LYS 28 HD1 LYS 28 11.989 24.327 24.327 160 1HE LYS 28 HE2 LYS 28 11.321 26.879 26.879 161 2HE LYS 28 HE1 LYS 28 9.876 25.871 25.871 162 1HZ LYS 28 HZ3 LYS 28 11.109 25.400 25.400 163 2HZ LYS 28 HZ2 LYS 28 11.080 27.084 27.084 164 3HZ LYS 28 HZ1 LYS 28 9.635 26.195 26.195 165 H GLY 29 HN GLY 29 15.435 25.419 25.419 166 1HA GLY 29 HA2 GLY 29 15.225 28.038 28.038 167 2HA GLY 29 HA1 GLY 29 16.605 27.838 27.838 168 H GLU 30 HN GLU 30 17.542 25.523 25.523 169 HA GLU 30 HA GLU 30 19.279 27.069 27.069 170 1HB GLU 30 HB2 GLU 30 20.073 24.963 24.963 171 2HB GLU 30 HB1 GLU 30 18.724 24.094 24.094 172 1HG GLU 30 HG2 GLU 30 19.746 24.002 24.002 173 2HG GLU 30 HG1 GLU 30 20.242 25.693 25.693 174 H ARG 31 HN ARG 31 19.109 27.477 27.477 175 HA ARG 31 HA ARG 31 16.546 26.636 26.636 176 1HB ARG 31 HB2 ARG 31 18.399 28.912 28.912 177 2HB ARG 31 HB1 ARG 31 16.811 28.575 28.575 178 1HG ARG 31 HG2 ARG 31 15.732 29.544 29.544 179 2HG ARG 31 HG1 ARG 31 16.779 28.769 28.769 180 1HD ARG 31 HD2 ARG 31 16.915 31.331 31.331 181 2HD ARG 31 HD1 ARG 31 18.445 30.455 30.455 182 HE ARG 31 HE ARG 31 17.629 30.734 30.734 183 1HH1 ARG 31 HH21 ARG 31 18.358 32.741 32.741 184 2HH1 ARG 31 HH22 ARG 31 18.931 34.059 34.059 185 1HH2 ARG 31 HH11 ARG 31 18.376 32.447 32.447 186 2HH2 ARG 31 HH12 ARG 31 18.941 33.893 33.893 187 H LEU 32 HN LEU 32 16.623 25.846 25.846 188 HA LEU 32 HA LEU 32 19.299 25.288 25.288 189 1HB LEU 32 HB2 LEU 32 17.252 23.112 23.112 190 2HB LEU 32 HB1 LEU 32 18.803 22.901 22.901 191 HG LEU 32 HG LEU 32 19.693 24.048 24.048 192 1HD1 LEU 32 HD13 LEU 32 16.945 23.590 23.590 193 2HD1 LEU 32 HD12 LEU 32 17.853 22.405 22.405 194 3HD1 LEU 32 HD11 LEU 32 18.189 24.126 24.126 195 1HD2 LEU 32 HD23 LEU 32 19.560 21.435 21.435 196 2HD2 LEU 32 HD22 LEU 32 20.678 22.028 22.028 197 3HD2 LEU 32 HD21 LEU 32 19.155 21.282 21.282 198 H GLN 33 HN GLN 33 19.244 25.221 25.221 199 HA GLN 33 HA GLN 33 16.766 26.126 26.126 200 1HB GLN 33 HB2 GLN 33 19.500 25.454 25.454 201 2HB GLN 33 HB1 GLN 33 18.167 26.091 26.091 202 1HG GLN 33 HG2 GLN 33 18.066 28.067 28.067 203 2HG GLN 33 HG1 GLN 33 19.479 27.445 27.445 204 1HE2 GLN 33 HE22 GLN 33 19.982 29.463 29.463 205 2HE2 GLN 33 HE21 GLN 33 18.469 29.326 29.326 206 H ILE 34 HN ILE 34 15.278 24.805 24.805 207 HA ILE 34 HA ILE 34 15.594 21.933 21.933 208 HB ILE 34 HB ILE 34 13.543 23.596 23.596 209 1HG1 ILE 34 HG12 ILE 34 13.465 24.179 24.179 210 2HG1 ILE 34 HG11 ILE 34 12.136 23.060 23.060 211 1HG2 ILE 34 HG23 ILE 34 13.908 21.067 21.067 212 2HG2 ILE 34 HG22 ILE 34 13.193 20.798 20.798 213 3HG2 ILE 34 HG21 ILE 34 12.268 21.623 21.623 214 1HD1 ILE 34 HD11 ILE 34 14.182 21.334 21.334 215 2HD1 ILE 34 HD13 ILE 34 14.554 22.705 22.705 216 3HD1 ILE 34 HD12 ILE 34 12.986 21.907 21.907 217 H VAL 35 HN VAL 35 16.222 20.543 20.543 218 HA VAL 35 HA VAL 35 17.291 21.814 21.814 219 HB VAL 35 HB VAL 35 17.705 19.076 19.076 220 1HG1 VAL 35 HG13 VAL 35 18.424 20.210 20.210 221 2HG1 VAL 35 HG12 VAL 35 19.547 19.099 19.099 222 3HG1 VAL 35 HG11 VAL 35 17.904 18.577 18.577 223 1HG2 VAL 35 HG22 VAL 35 18.841 21.385 21.385 224 2HG2 VAL 35 HG21 VAL 35 19.742 19.869 19.869 225 3HG2 VAL 35 HG23 VAL 35 19.896 21.010 21.010 226 H ASN 36 HN ASN 36 15.379 18.944 18.944 227 HA ASN 36 HA ASN 36 13.548 19.401 19.401 228 1HB ASN 36 HB2 ASN 36 15.747 18.074 18.074 229 2HB ASN 36 HB1 ASN 36 14.848 16.715 16.715 230 1HD2 ASN 36 HD22 ASN 36 12.849 16.462 16.462 231 2HD2 ASN 36 HD21 ASN 36 13.583 15.694 15.694 232 H ASN 37 HN ASN 37 12.657 16.629 16.629 233 HA ASN 37 HA ASN 37 11.199 15.221 15.221 234 1HB ASN 37 HB2 ASN 37 12.883 16.198 16.198 235 2HB ASN 37 HB1 ASN 37 11.695 14.900 14.900 236 1HD2 ASN 37 HD22 ASN 37 13.989 12.515 12.515 237 2HD2 ASN 37 HD21 ASN 37 12.602 12.862 12.862 238 H THR 38 HN THR 38 9.300 16.425 16.425 239 HA THR 38 HA THR 38 8.613 18.637 18.637 240 HB THR 38 HB THR 38 8.057 18.796 18.796 241 HG1 THR 38 HG1 THR 38 5.693 19.104 19.104 242 1HG2 THR 38 HG23 THR 38 7.147 16.127 16.127 243 2HG2 THR 38 HG22 THR 38 5.766 17.094 17.094 244 3HG2 THR 38 HG21 THR 38 7.214 17.012 17.012 245 H GLU 39 HN GLU 39 8.110 15.244 15.244 246 HA GLU 39 HA GLU 39 6.272 15.357 15.357 247 1HB GLU 39 HB2 GLU 39 5.488 14.618 14.618 248 2HB GLU 39 HB1 GLU 39 5.483 13.161 13.161 249 1HG GLU 39 HG2 GLU 39 3.699 13.865 13.865 250 2HG GLU 39 HG1 GLU 39 4.347 15.498 15.498 251 H GLY 40 HN GLY 40 5.873 12.510 12.510 252 1HA GLY 40 HA2 GLY 40 7.064 10.470 10.470 253 2HA GLY 40 HA1 GLY 40 8.572 11.318 11.318 254 H ASP 41 HN ASP 41 9.820 11.237 11.237 255 HA ASP 41 HA ASP 41 8.816 12.413 12.413 256 1HB ASP 41 HB2 ASP 41 8.692 9.557 9.557 257 2HB ASP 41 HB1 ASP 41 9.851 9.940 9.940 258 H TRP 42 HN TRP 42 11.114 12.505 12.505 259 HA TRP 42 HA TRP 42 13.191 13.060 13.060 260 1HB TRP 42 HB2 TRP 42 13.330 10.655 10.655 261 2HB TRP 42 HB1 TRP 42 14.814 11.509 11.509 262 HD1 TRP 42 HD1 TRP 42 12.352 9.007 9.007 263 HE1 TRP 42 HE1 TRP 42 12.974 8.596 8.596 264 HE3 TRP 42 HE3 TRP 42 15.632 12.668 12.668 265 HZ2 TRP 42 HZ2 TRP 42 14.757 9.763 9.763 266 HZ3 TRP 42 HZ3 TRP 42 16.807 13.064 13.064 267 HH2 TRP 42 HH2 TRP 42 16.372 11.610 11.610 268 H TRP 43 HN TRP 43 13.689 15.061 15.061 269 HA TRP 43 HA TRP 43 14.126 15.370 15.370 270 1HB TRP 43 HB2 TRP 43 13.688 17.589 17.589 271 2HB TRP 43 HB1 TRP 43 13.612 17.700 17.700 272 HD1 TRP 43 HD1 TRP 43 11.872 14.763 14.763 273 HE1 TRP 43 HE1 TRP 43 9.403 15.100 15.100 274 HE3 TRP 43 HE3 TRP 43 12.070 19.183 19.183 275 HZ2 TRP 43 HZ2 TRP 43 7.641 17.103 17.103 276 HZ3 TRP 43 HZ3 TRP 43 10.068 20.320 20.320 277 HH2 TRP 43 HH2 TRP 43 7.853 19.284 19.284 278 H LEU 44 HN LEU 44 15.929 16.875 16.875 279 HA LEU 44 HA LEU 44 18.161 16.658 16.658 280 1HB LEU 44 HB2 LEU 44 18.597 15.339 15.339 281 2HB LEU 44 HB1 LEU 44 18.241 16.730 16.730 282 HG LEU 44 HG LEU 44 20.123 17.900 17.900 283 1HD1 LEU 44 HD13 LEU 44 20.121 15.550 15.550 284 2HD1 LEU 44 HD12 LEU 44 21.354 15.204 15.204 285 3HD1 LEU 44 HD11 LEU 44 21.542 16.584 16.584 286 1HD2 LEU 44 HD22 LEU 44 20.046 16.937 16.937 287 2HD2 LEU 44 HD21 LEU 44 21.554 17.519 17.519 288 3HD2 LEU 44 HD23 LEU 44 21.208 15.790 15.790 289 H ALA 45 HN ALA 45 18.801 18.597 18.597 290 HA ALA 45 HA ALA 45 18.308 21.027 21.027 291 1HB ALA 45 HB2 ALA 45 16.866 20.823 20.823 292 2HB ALA 45 HB1 ALA 45 18.343 20.928 20.928 293 3HB ALA 45 HB3 ALA 45 17.856 22.281 22.281 294 H HIS 46 HN HIS 46 19.876 22.770 22.770 295 HA HIS 46 HA HIS 46 22.550 21.721 21.721 296 1HB HIS 46 HB2 HIS 46 22.875 22.236 22.236 297 2HB HIS 46 HB1 HIS 46 21.623 23.472 23.472 298 HD1 HIS 46 HD1 HIS 46 25.179 23.152 23.152 299 HD2 HIS 46 HD2 HIS 46 22.467 25.958 25.958 300 HE1 HIS 46 HE1 HIS 46 26.472 25.185 25.185 301 H SER 47 HN SER 47 23.206 22.557 22.557 302 HA SER 47 HA SER 47 21.929 24.702 24.702 303 1HB SER 47 HB2 SER 47 24.724 23.566 23.566 304 2HB SER 47 HB1 SER 47 23.992 24.706 24.706 305 HG SER 47 HG SER 47 22.366 23.205 23.205 306 H LEU 48 HN LEU 48 22.674 26.884 26.884 307 HA LEU 48 HA LEU 48 24.225 27.956 27.956 308 1HB LEU 48 HB2 LEU 48 22.432 29.401 29.401 309 2HB LEU 48 HB1 LEU 48 23.199 30.120 30.120 310 HG LEU 48 HG LEU 48 21.263 27.788 27.788 311 1HD1 LEU 48 HD11 LEU 48 20.492 30.239 30.239 312 2HD1 LEU 48 HD13 LEU 48 20.587 30.518 30.518 313 3HD1 LEU 48 HD12 LEU 48 19.523 29.263 29.263 314 1HD2 LEU 48 HD22 LEU 48 23.140 28.733 28.733 315 2HD2 LEU 48 HD21 LEU 48 21.768 27.681 27.681 316 3HD2 LEU 48 HD23 LEU 48 21.610 29.427 29.427 317 H THR 49 HN THR 49 25.173 26.752 26.752 318 HA THR 49 HA THR 49 26.683 29.107 29.107 319 HB THR 49 HB THR 49 27.236 26.670 26.670 320 HG1 THR 49 HG1 THR 49 25.259 25.945 25.945 321 1HG2 THR 49 HG23 THR 49 26.207 29.405 29.405 322 2HG2 THR 49 HG22 THR 49 25.727 28.196 28.196 323 3HG2 THR 49 HG21 THR 49 27.437 28.496 28.496 324 H THR 50 HN THR 50 27.660 25.687 25.687 325 HA THR 50 HA THR 50 30.326 26.491 26.491 326 HB THR 50 HB THR 50 30.821 24.052 24.052 327 HG1 THR 50 HG1 THR 50 28.435 23.659 23.659 328 1HG2 THR 50 HG23 THR 50 29.374 25.317 25.317 329 2HG2 THR 50 HG22 THR 50 30.374 23.869 23.869 330 3HG2 THR 50 HG21 THR 50 31.100 25.405 25.405 331 H GLY 51 HN GLY 51 27.384 25.672 25.672 332 1HA GLY 51 HA2 GLY 51 26.874 25.479 25.479 333 2HA GLY 51 HA1 GLY 51 28.583 25.734 25.734 334 H GLN 52 HN GLN 52 26.900 23.211 23.211 335 HA GLN 52 HA GLN 52 28.224 21.193 21.193 336 1HB GLN 52 HB2 GLN 52 27.596 21.090 21.090 337 2HB GLN 52 HB1 GLN 52 28.085 19.678 19.678 338 1HG GLN 52 HG2 GLN 52 29.842 21.966 21.966 339 2HG GLN 52 HG1 GLN 52 29.799 21.493 21.493 340 1HE2 GLN 52 HE22 GLN 52 31.239 18.254 18.254 341 2HE2 GLN 52 HE21 GLN 52 30.209 19.099 19.099 342 H THR 53 HN THR 53 26.931 18.952 18.952 343 HA THR 53 HA THR 53 24.148 19.563 19.563 344 HB THR 53 HB THR 53 25.392 16.816 16.816 345 HG1 THR 53 HG1 THR 53 25.448 18.298 18.298 346 1HG2 THR 53 HG21 THR 53 22.924 17.968 17.968 347 2HG2 THR 53 HG23 THR 53 23.788 17.179 17.179 348 3HG2 THR 53 HG22 THR 53 23.378 16.268 16.268 349 H GLY 54 HN GLY 54 22.350 18.365 18.365 350 1HA GLY 54 HA2 GLY 54 22.846 17.031 17.031 351 2HA GLY 54 HA1 GLY 54 22.115 18.626 18.626 352 H TYR 55 HN TYR 55 21.621 15.367 15.367 353 HA TYR 55 HA TYR 55 19.100 15.656 15.656 354 1HB TYR 55 HB2 TYR 55 20.359 13.404 13.404 355 2HB TYR 55 HB1 TYR 55 18.756 13.250 13.250 356 HD1 TYR 55 HD1 TYR 55 18.479 13.406 13.406 357 HD2 TYR 55 HD2 TYR 55 22.334 13.408 13.408 358 HE1 TYR 55 HE1 TYR 55 19.492 12.896 12.896 359 HE2 TYR 55 HE2 TYR 55 23.347 12.903 12.903 360 HH TYR 55 HH TYR 55 22.705 11.882 11.882 361 H ILE 56 HN ILE 56 17.672 17.036 17.036 362 HA ILE 56 HA ILE 56 17.148 16.577 16.577 363 HB ILE 56 HB ILE 56 15.717 18.561 18.561 364 1HG1 ILE 56 HG12 ILE 56 16.102 19.599 19.599 365 2HG1 ILE 56 HG11 ILE 56 15.872 17.883 17.883 366 1HG2 ILE 56 HG22 ILE 56 18.520 18.475 18.475 367 2HG2 ILE 56 HG21 ILE 56 17.701 19.892 19.892 368 3HG2 ILE 56 HG23 ILE 56 17.703 19.602 19.602 369 1HD1 ILE 56 HD12 ILE 56 14.018 19.563 19.563 370 2HD1 ILE 56 HD11 ILE 56 13.723 19.160 19.160 371 3HD1 ILE 56 HD13 ILE 56 13.771 17.883 17.883 372 HA PRO 57 HA PRO 57 13.890 13.705 13.705 373 1HB PRO 57 HB2 PRO 57 12.679 14.319 14.319 374 2HB PRO 57 HB1 PRO 57 13.577 12.870 12.870 375 1HG PRO 57 HG2 PRO 57 14.456 14.983 14.983 376 2HG PRO 57 HG1 PRO 57 15.385 13.576 13.576 377 1HD PRO 57 HD1 PRO 57 15.709 16.334 16.334 378 2HD PRO 57 HD2 PRO 57 16.667 14.927 14.927 379 H SER 58 HN SER 58 11.917 14.047 14.047 380 HA SER 58 HA SER 58 10.856 16.560 16.560 381 1HB SER 58 HB2 SER 58 9.059 15.448 15.448 382 2HB SER 58 HB1 SER 58 10.132 14.065 14.065 383 HG SER 58 HG SER 58 7.765 14.547 14.547 384 H ASN 59 HN ASN 59 10.425 14.554 14.554 385 HA ASN 59 HA ASN 59 8.544 16.531 16.531 386 1HB ASN 59 HB2 ASN 59 8.897 13.695 13.695 387 2HB ASN 59 HB1 ASN 59 9.160 14.429 14.429 388 1HD2 ASN 59 HD22 ASN 59 5.435 14.522 14.522 389 2HD2 ASN 59 HD21 ASN 59 6.770 14.003 14.003 390 H TYR 60 HN TYR 60 9.144 17.824 17.824 391 HA TYR 60 HA TYR 60 10.498 18.308 18.308 392 1HB TYR 60 HB2 TYR 60 12.774 17.274 17.274 393 2HB TYR 60 HB1 TYR 60 12.974 18.054 18.054 394 HD1 TYR 60 HD1 TYR 60 10.104 16.602 16.602 395 HD2 TYR 60 HD2 TYR 60 13.998 15.326 15.326 396 HE1 TYR 60 HE1 TYR 60 9.739 14.471 14.471 397 HE2 TYR 60 HE2 TYR 60 13.621 13.178 13.178 398 HH TYR 60 HH TYR 60 11.374 12.666 12.666 399 H VAL 61 HN VAL 61 10.130 19.244 19.244 400 HA VAL 61 HA VAL 61 11.296 21.913 21.913 401 HB VAL 61 HB VAL 61 12.978 21.063 21.063 402 1HG1 VAL 61 HG12 VAL 61 10.889 19.309 19.309 403 2HG1 VAL 61 HG11 VAL 61 11.584 20.076 20.076 404 3HG1 VAL 61 HG13 VAL 61 12.619 19.178 19.178 405 1HG2 VAL 61 HG21 VAL 61 12.086 23.212 23.212 406 2HG2 VAL 61 HG23 VAL 61 12.690 22.216 22.216 407 3HG2 VAL 61 HG22 VAL 61 10.956 22.338 22.338 408 H ALA 62 HN ALA 62 10.386 23.559 23.559 409 HA ALA 62 HA ALA 62 7.919 22.861 22.861 410 1HB ALA 62 HB3 ALA 62 7.796 24.513 24.513 411 2HB ALA 62 HB2 ALA 62 6.466 24.328 24.328 412 3HB ALA 62 HB1 ALA 62 7.063 22.929 22.929 413 HA PRO 63 HA PRO 63 9.334 26.353 26.353 414 1HB PRO 63 HB2 PRO 63 6.712 26.880 26.880 415 2HB PRO 63 HB1 PRO 63 8.052 26.051 26.051 416 1HG PRO 63 HG2 PRO 63 5.616 24.892 24.892 417 2HG PRO 63 HG1 PRO 63 6.943 24.067 24.067 418 1HD PRO 63 HD1 PRO 63 6.273 23.969 23.969 419 2HD PRO 63 HD2 PRO 63 7.610 23.148 23.148 420 H SER 64 HN SER 64 9.664 28.325 28.325 421 HA SER 64 HA SER 64 7.429 30.048 30.048 422 1HB SER 64 HB2 SER 64 7.713 30.145 30.145 423 2HB SER 64 HB1 SER 64 7.697 28.423 28.423 424 HG SER 64 HG SER 64 9.826 30.077 30.077 425 1H ALA 71 HT3 ALA 71 1.373 15.835 15.835 426 2H ALA 71 HT2 ALA 71 1.833 17.324 17.324 427 3H ALA 71 HT1 ALA 71 2.637 16.729 16.729 428 HA ALA 71 HA ALA 71 4.023 16.395 16.395 429 1HB ALA 71 HB1 ALA 71 1.595 16.034 16.034 430 2HB ALA 71 HB3 ALA 71 2.291 14.414 14.414 431 3HB ALA 71 HB2 ALA 71 3.189 15.751 15.751 432 H PHE 72 HN PHE 72 4.785 13.994 13.994 433 HA PHE 72 HA PHE 72 5.588 11.936 11.936 434 1HB PHE 72 HB2 PHE 72 2.775 12.083 12.083 435 2HB PHE 72 HB1 PHE 72 3.742 11.056 11.056 436 HD1 PHE 72 HD1 PHE 72 5.323 9.342 9.342 437 HD2 PHE 72 HD2 PHE 72 2.026 11.225 11.225 438 HE1 PHE 72 HE1 PHE 72 5.311 7.577 7.577 439 HE2 PHE 72 HE2 PHE 72 2.018 9.458 9.458 440 HZ PHE 72 HZ PHE 72 3.660 7.633 7.633 441 H ALA 73 HN ALA 73 7.133 13.549 13.549 442 HA ALA 73 HA ALA 73 6.888 14.307 14.307 443 1HB ALA 73 HB3 ALA 73 8.782 14.813 14.813 444 2HB ALA 73 HB2 ALA 73 9.494 13.300 13.300 445 3HB ALA 73 HB1 ALA 73 9.231 14.623 14.623 446 HA PRO 74 HA PRO 74 6.685 10.417 10.417 447 1HB PRO 74 HB2 PRO 74 7.695 11.592 11.592 448 2HB PRO 74 HB1 PRO 74 6.020 11.194 11.194 449 1HG PRO 74 HG2 PRO 74 7.218 13.813 13.813 450 2HG PRO 74 HG1 PRO 74 5.546 13.414 13.414 451 1HD PRO 74 HD1 PRO 74 7.639 14.353 14.353 452 2HD PRO 74 HD2 PRO 74 5.951 13.989 13.989 453 HA PRO 75 HA PRO 75 11.085 9.557 9.557 454 1HB PRO 75 HB2 PRO 75 10.461 6.767 6.767 455 2HB PRO 75 HB1 PRO 75 10.856 7.621 7.621 456 1HG PRO 75 HG2 PRO 75 8.282 6.616 6.616 457 2HG PRO 75 HG1 PRO 75 8.675 7.492 7.492 458 1HD PRO 75 HD1 PRO 75 7.218 8.458 8.458 459 2HD PRO 75 HD2 PRO 75 7.583 9.324 9.324 460 H LEU 76 HN LEU 76 12.703 9.139 9.139 461 HA LEU 76 HA LEU 76 12.291 9.363 9.363 462 1HB LEU 76 HB2 LEU 76 14.405 7.646 7.646 463 2HB LEU 76 HB1 LEU 76 14.473 8.238 8.238 464 HG LEU 76 HG LEU 76 14.267 10.021 10.021 465 1HD1 LEU 76 HD12 LEU 76 16.457 8.581 8.581 466 2HD1 LEU 76 HD11 LEU 76 16.709 9.921 9.921 467 3HD1 LEU 76 HD13 LEU 76 16.559 10.232 10.232 468 1HD2 LEU 76 HD22 LEU 76 13.687 10.512 10.512 469 2HD2 LEU 76 HD21 LEU 76 14.001 11.729 11.729 470 3HD2 LEU 76 HD23 LEU 76 15.316 11.150 11.150 471 HA PRO 77 HA PRO 77 10.140 5.483 5.483 472 1HB PRO 77 HB2 PRO 77 9.500 6.245 6.245 473 2HB PRO 77 HB1 PRO 77 8.479 6.462 6.462 474 1HG PRO 77 HG2 PRO 77 9.898 8.495 8.495 475 2HG PRO 77 HG1 PRO 77 8.752 8.724 8.724 476 1HD PRO 77 HD1 PRO 77 11.636 8.990 8.990 477 2HD PRO 77 HD2 PRO 77 10.480 9.279 9.279 478 H ARG 78 HN ARG 78 12.936 5.363 5.363 479 HA ARG 78 HA ARG 78 14.727 4.519 4.519 480 1HB ARG 78 HB2 ARG 78 13.374 2.550 2.550 481 2HB ARG 78 HB1 ARG 78 12.569 2.526 2.526 482 1HG ARG 78 HG2 ARG 78 14.419 1.719 1.719 483 2HG ARG 78 HG1 ARG 78 15.537 2.621 2.621 484 1HD ARG 78 HD2 ARG 78 15.624 0.966 0.966 485 2HD ARG 78 HD1 ARG 78 13.971 0.435 0.435 486 HE ARG 78 HE ARG 78 14.824 -1.081 -1.081 487 1HH1 ARG 78 HH21 ARG 78 17.100 1.402 1.402 488 2HH1 ARG 78 HH22 ARG 78 18.383 0.686 0.686 489 1HH2 ARG 78 HH11 ARG 78 16.491 -2.022 -2.022 490 2HH2 ARG 78 HH12 ARG 78 18.040 -1.249 -1.249 491 H ARG 79 HN ARG 79 14.086 6.567 6.567 492 HA ARG 79 HA ARG 79 13.948 7.394 7.394 493 1HB ARG 79 HB2 ARG 79 14.821 4.555 4.555 494 2HB ARG 79 HB1 ARG 79 14.872 5.907 5.907 495 1HG ARG 79 HG2 ARG 79 16.312 5.868 5.868 496 2HG ARG 79 HG1 ARG 79 17.073 5.472 5.472 497 1HD ARG 79 HD2 ARG 79 16.210 7.766 7.766 498 2HD ARG 79 HD1 ARG 79 15.929 8.120 8.120 499 HE ARG 79 HE ARG 79 18.614 7.140 7.140 500 1HH1 ARG 79 HH21 ARG 79 16.514 9.861 9.861 501 2HH1 ARG 79 HH22 ARG 79 17.792 11.024 11.024 502 1HH2 ARG 79 HH11 ARG 79 20.286 8.649 8.649 503 2HH2 ARG 79 HH12 ARG 79 19.923 10.340 10.340 Start of MODEL 2 1 1H THR 9 HT1 THR 9 12.882 28.241 28.241 2 2H THR 9 HT3 THR 9 14.503 28.550 28.550 3 3H THR 9 HT2 THR 9 14.036 27.003 27.003 4 HA THR 9 HA THR 9 15.158 28.143 28.143 5 HB THR 9 HB THR 9 12.930 30.184 30.184 6 HG1 THR 9 HG1 THR 9 14.194 31.153 31.153 7 1HG2 THR 9 HG23 THR 9 14.404 29.487 29.487 8 2HG2 THR 9 HG22 THR 9 15.376 30.789 30.789 9 3HG2 THR 9 HG21 THR 9 13.687 31.076 31.076 10 H PHE 10 HN PHE 10 14.585 26.453 26.453 11 HA PHE 10 HA PHE 10 11.728 26.316 26.316 12 1HB PHE 10 HB2 PHE 10 13.763 24.218 24.218 13 2HB PHE 10 HB1 PHE 10 12.615 23.888 23.888 14 HD1 PHE 10 HD1 PHE 10 12.159 25.813 25.813 15 HD2 PHE 10 HD2 PHE 10 11.038 22.383 22.383 16 HE1 PHE 10 HE1 PHE 10 10.429 25.282 25.282 17 HE2 PHE 10 HE2 PHE 10 9.314 21.850 21.850 18 HZ PHE 10 HZ PHE 10 9.006 23.300 23.300 19 H VAL 11 HN VAL 11 11.433 25.606 25.606 20 HA VAL 11 HA VAL 11 13.744 26.444 26.444 21 HB VAL 11 HB VAL 11 10.781 26.795 26.795 22 1HG1 VAL 11 HG11 VAL 11 13.270 27.572 27.572 23 2HG1 VAL 11 HG13 VAL 11 11.654 28.172 28.172 24 3HG1 VAL 11 HG12 VAL 11 12.011 26.451 26.451 25 1HG2 VAL 11 HG23 VAL 11 11.832 28.285 28.285 26 2HG2 VAL 11 HG22 VAL 11 11.131 29.134 29.134 27 3HG2 VAL 11 HG21 VAL 11 12.878 28.919 28.919 28 H ALA 12 HN ALA 12 14.330 25.014 25.014 29 HA ALA 12 HA ALA 12 13.084 22.371 22.371 30 1HB ALA 12 HB1 ALA 12 15.520 23.609 23.609 31 2HB ALA 12 HB3 ALA 12 14.827 22.329 22.329 32 3HB ALA 12 HB2 ALA 12 15.283 21.997 21.997 33 H LEU 13 HN LEU 13 11.453 21.747 21.747 34 HA LEU 13 HA LEU 13 10.753 23.499 23.499 35 1HB LEU 13 HB2 LEU 13 9.025 21.328 21.328 36 2HB LEU 13 HB1 LEU 13 8.528 22.694 22.694 37 HG LEU 13 HG LEU 13 9.895 23.211 23.211 38 1HD1 LEU 13 HD13 LEU 13 7.400 21.793 21.793 39 2HD1 LEU 13 HD12 LEU 13 7.105 23.366 23.366 40 3HD1 LEU 13 HD11 LEU 13 8.235 22.237 22.237 41 1HD2 LEU 13 HD22 LEU 13 8.861 24.792 24.792 42 2HD2 LEU 13 HD21 LEU 13 9.216 25.334 25.334 43 3HD2 LEU 13 HD23 LEU 13 7.585 24.813 24.813 44 H TYR 14 HN TYR 14 12.183 20.494 20.494 45 HA TYR 14 HA TYR 14 11.773 19.657 19.657 46 1HB TYR 14 HB2 TYR 14 11.791 17.871 17.871 47 2HB TYR 14 HB1 TYR 14 11.762 17.297 17.297 48 HD1 TYR 14 HD2 TYR 14 9.989 19.801 19.801 49 HD2 TYR 14 HD1 TYR 14 9.646 16.864 16.864 50 HE1 TYR 14 HE2 TYR 14 7.588 20.240 20.240 51 HE2 TYR 14 HE1 TYR 14 7.225 17.255 17.255 52 HH TYR 14 HH TYR 14 5.692 19.475 19.475 53 H ASP 15 HN ASP 15 13.567 18.535 18.535 54 HA ASP 15 HA ASP 15 16.153 19.369 19.369 55 1HB ASP 15 HB2 ASP 15 15.587 17.588 17.588 56 2HB ASP 15 HB1 ASP 15 17.077 18.470 18.470 57 H TYR 16 HN TYR 16 16.536 18.174 18.174 58 HA TYR 16 HA TYR 16 16.232 15.256 15.256 59 1HB TYR 16 HB2 TYR 16 15.795 16.396 16.396 60 2HB TYR 16 HB1 TYR 16 17.362 17.201 17.201 61 HD1 TYR 16 HD1 TYR 16 16.922 13.692 13.692 62 HD2 TYR 16 HD2 TYR 16 18.147 16.274 16.274 63 HE1 TYR 16 HE1 TYR 16 17.925 11.785 11.785 64 HE2 TYR 16 HE2 TYR 16 19.131 14.366 14.366 65 HH TYR 16 HH TYR 16 19.494 12.187 12.187 66 H GLU 17 HN GLU 17 17.760 14.007 14.007 67 HA GLU 17 HA GLU 17 20.524 15.075 15.075 68 1HB GLU 17 HB2 GLU 17 18.837 13.558 13.558 69 2HB GLU 17 HB1 GLU 17 20.197 12.526 12.526 70 1HG GLU 17 HG2 GLU 17 21.764 13.951 13.951 71 2HG GLU 17 HG1 GLU 17 20.739 15.373 15.373 72 H SER 18 HN SER 18 21.218 14.669 14.669 73 HA SER 18 HA SER 18 20.912 12.237 12.237 74 1HB SER 18 HB2 SER 18 22.140 13.323 13.323 75 2HB SER 18 HB1 SER 18 22.210 14.674 14.674 76 HG SER 18 HG SER 18 24.231 14.268 14.268 77 H ARG 19 HN ARG 19 23.320 11.145 11.145 78 HA ARG 19 HA ARG 19 24.496 10.318 10.318 79 1HB ARG 19 HB2 ARG 19 24.135 8.299 8.299 80 2HB ARG 19 HB1 ARG 19 24.240 8.048 8.048 81 1HG ARG 19 HG2 ARG 19 22.005 9.345 9.345 82 2HG ARG 19 HG1 ARG 19 21.896 9.056 9.056 83 1HD ARG 19 HD2 ARG 19 21.858 7.067 7.067 84 2HD ARG 19 HD1 ARG 19 20.775 7.194 7.194 85 HE ARG 19 HE ARG 19 23.329 5.782 5.782 86 1HH1 ARG 19 HH21 ARG 19 20.984 7.470 7.470 87 2HH1 ARG 19 HH22 ARG 19 21.424 6.682 6.682 88 1HH2 ARG 19 HH11 ARG 19 23.907 4.747 4.747 89 2HH2 ARG 19 HH12 ARG 19 23.075 5.143 5.143 90 H THR 20 HN THR 20 24.863 10.590 10.590 91 HA THR 20 HA THR 20 27.819 10.665 10.665 92 HB THR 20 HB THR 20 27.144 8.502 8.502 93 HG1 THR 20 HG1 THR 20 29.120 9.200 9.200 94 1HG2 THR 20 HG22 THR 20 25.821 10.398 10.398 95 2HG2 THR 20 HG21 THR 20 26.413 8.847 8.847 96 3HG2 THR 20 HG23 THR 20 25.203 8.897 8.897 97 H GLU 21 HN GLU 21 28.835 11.602 11.602 98 HA GLU 21 HA GLU 21 27.894 14.279 14.279 99 1HB GLU 21 HB2 GLU 21 29.559 14.471 14.471 100 2HB GLU 21 HB1 GLU 21 30.234 13.537 13.537 101 1HG GLU 21 HG2 GLU 21 28.805 11.963 11.963 102 2HG GLU 21 HG1 GLU 21 30.302 12.726 12.726 103 H THR 22 HN THR 22 27.026 11.332 11.332 104 HA THR 22 HA THR 22 26.085 12.197 12.197 105 HB THR 22 HB THR 22 24.651 10.298 10.298 106 HG1 THR 22 HG1 THR 22 26.803 10.017 10.017 107 1HG2 THR 22 HG22 THR 22 24.357 11.024 11.024 108 2HG2 THR 22 HG21 THR 22 24.166 9.325 9.325 109 3HG2 THR 22 HG23 THR 22 23.126 10.546 10.546 110 H ASP 23 HN ASP 23 24.005 11.980 11.980 111 HA ASP 23 HA ASP 23 22.222 14.014 14.014 112 1HB ASP 23 HB2 ASP 23 21.776 12.689 12.689 113 2HB ASP 23 HB1 ASP 23 20.580 13.299 13.299 114 H LEU 24 HN LEU 24 22.014 16.080 16.080 115 HA LEU 24 HA LEU 24 24.043 16.907 16.907 116 1HB LEU 24 HB2 LEU 24 22.339 18.272 18.272 117 2HB LEU 24 HB1 LEU 24 22.789 19.207 19.207 118 HG LEU 24 HG LEU 24 24.734 17.724 17.724 119 1HD1 LEU 24 HD12 LEU 24 23.647 20.488 20.488 120 2HD1 LEU 24 HD11 LEU 24 25.391 20.343 20.343 121 3HD1 LEU 24 HD13 LEU 24 24.295 19.538 19.538 122 1HD2 LEU 24 HD22 LEU 24 25.010 19.379 19.379 123 2HD2 LEU 24 HD21 LEU 24 25.728 17.812 17.812 124 3HD2 LEU 24 HD23 LEU 24 26.339 19.270 19.270 125 H SER 25 HN SER 25 23.528 17.072 17.072 126 HA SER 25 HA SER 25 20.765 16.790 16.790 127 1HB SER 25 HB2 SER 25 22.878 17.651 17.651 128 2HB SER 25 HB1 SER 25 21.671 16.380 16.380 129 HG SER 25 HG SER 25 24.101 15.937 15.937 130 H PHE 26 HN PHE 26 19.540 18.393 18.393 131 HA PHE 26 HA PHE 26 20.637 21.115 21.115 132 1HB PHE 26 HB2 PHE 26 18.726 22.077 22.077 133 2HB PHE 26 HB1 PHE 26 19.891 21.176 21.176 134 HD1 PHE 26 HD2 PHE 26 16.547 21.045 21.045 135 HD2 PHE 26 HD1 PHE 26 19.248 19.107 19.107 136 HE1 PHE 26 HE2 PHE 26 14.729 19.591 19.591 137 HE2 PHE 26 HE1 PHE 26 17.430 17.659 17.659 138 HZ PHE 26 HZ PHE 26 15.168 17.894 17.894 139 H LYS 27 HN LYS 27 19.355 22.423 22.423 140 HA LYS 27 HA LYS 27 17.288 20.858 20.858 141 1HB LYS 27 HB2 LYS 27 18.184 23.236 23.236 142 2HB LYS 27 HB1 LYS 27 18.242 21.554 21.554 143 1HG LYS 27 HG2 LYS 27 20.336 21.223 21.223 144 2HG LYS 27 HG1 LYS 27 20.271 22.892 22.892 145 1HD LYS 27 HD2 LYS 27 19.979 22.803 22.803 146 2HD LYS 27 HD1 LYS 27 21.444 21.952 21.952 147 1HE LYS 27 HE2 LYS 27 21.578 24.149 24.149 148 2HE LYS 27 HE1 LYS 27 20.779 24.830 24.830 149 1HZ LYS 27 HZ2 LYS 27 23.075 23.086 23.086 150 2HZ LYS 27 HZ1 LYS 27 23.388 24.635 24.635 151 3HZ LYS 27 HZ3 LYS 27 22.571 24.463 24.463 152 H LYS 28 HN LYS 28 15.407 22.063 22.063 153 HA LYS 28 HA LYS 28 14.107 23.601 23.601 154 1HB LYS 28 HB2 LYS 28 12.789 22.693 22.693 155 2HB LYS 28 HB1 LYS 28 13.759 23.493 23.493 156 1HG LYS 28 HG2 LYS 28 12.982 25.699 25.699 157 2HG LYS 28 HG1 LYS 28 11.945 24.851 24.851 158 1HD LYS 28 HD2 LYS 28 10.362 24.641 24.641 159 2HD LYS 28 HD1 LYS 28 11.490 23.739 23.739 160 1HE LYS 28 HE2 LYS 28 12.444 25.985 25.985 161 2HE LYS 28 HE1 LYS 28 11.067 26.737 26.737 162 1HZ LYS 28 HZ2 LYS 28 9.859 24.853 24.853 163 2HZ LYS 28 HZ1 LYS 28 11.169 25.229 25.229 164 3HZ LYS 28 HZ3 LYS 28 10.093 26.450 26.450 165 H GLY 29 HN GLY 29 13.953 25.818 25.818 166 1HA GLY 29 HA2 GLY 29 14.322 28.157 28.157 167 2HA GLY 29 HA1 GLY 29 15.595 27.643 27.643 168 H GLU 30 HN GLU 30 16.695 25.743 25.743 169 HA GLU 30 HA GLU 30 18.416 27.666 27.666 170 1HB GLU 30 HB2 GLU 30 19.134 25.411 25.411 171 2HB GLU 30 HB1 GLU 30 18.419 24.673 24.673 172 1HG GLU 30 HG2 GLU 30 20.092 26.920 26.920 173 2HG GLU 30 HG1 GLU 30 21.004 25.760 25.760 174 H ARG 31 HN ARG 31 18.744 27.575 27.575 175 HA ARG 31 HA ARG 31 16.244 26.752 26.752 176 1HB ARG 31 HB2 ARG 31 18.124 28.985 28.985 177 2HB ARG 31 HB1 ARG 31 16.530 28.633 28.633 178 1HG ARG 31 HG2 ARG 31 15.549 29.881 29.881 179 2HG ARG 31 HG1 ARG 31 16.322 28.920 28.920 180 1HD ARG 31 HD2 ARG 31 18.077 30.851 30.851 181 2HD ARG 31 HD1 ARG 31 16.838 31.556 31.556 182 HE ARG 31 HE ARG 31 19.170 30.040 30.040 183 1HH1 ARG 31 HH21 ARG 31 15.933 31.058 31.058 184 2HH1 ARG 31 HH22 ARG 31 16.101 30.914 30.914 185 1HH2 ARG 31 HH11 ARG 31 19.395 29.845 29.845 186 2HH2 ARG 31 HH12 ARG 31 18.057 30.228 30.228 187 H LEU 32 HN LEU 32 16.562 26.019 26.019 188 HA LEU 32 HA LEU 32 19.351 25.238 25.238 189 1HB LEU 32 HB2 LEU 32 16.985 23.337 23.337 190 2HB LEU 32 HB1 LEU 32 18.611 22.953 22.953 191 HG LEU 32 HG LEU 32 18.772 24.090 24.090 192 1HD1 LEU 32 HD12 LEU 32 16.337 22.924 22.924 193 2HD1 LEU 32 HD11 LEU 32 17.308 21.509 21.509 194 3HD1 LEU 32 HD13 LEU 32 17.275 22.899 22.899 195 1HD2 LEU 32 HD23 LEU 32 19.604 21.679 21.679 196 2HD2 LEU 32 HD22 LEU 32 20.534 22.699 22.699 197 3HD2 LEU 32 HD21 LEU 32 19.460 21.458 21.458 198 H GLN 33 HN GLN 33 19.565 24.688 24.688 199 HA GLN 33 HA GLN 33 17.539 26.165 26.165 200 1HB GLN 33 HB2 GLN 33 19.873 26.911 26.911 201 2HB GLN 33 HB1 GLN 33 20.356 25.281 25.281 202 1HG GLN 33 HG2 GLN 33 19.980 25.990 25.990 203 2HG GLN 33 HG1 GLN 33 18.273 25.797 25.797 204 1HE2 GLN 33 HE22 GLN 33 18.375 29.483 29.483 205 2HE2 GLN 33 HE21 GLN 33 18.299 28.073 28.073 206 H ILE 34 HN ILE 34 16.002 24.397 24.397 207 HA ILE 34 HA ILE 34 16.350 21.743 21.743 208 HB ILE 34 HB ILE 34 14.268 23.564 23.564 209 1HG1 ILE 34 HG12 ILE 34 14.261 23.831 23.831 210 2HG1 ILE 34 HG11 ILE 34 12.896 22.803 22.803 211 1HG2 ILE 34 HG23 ILE 34 14.625 21.124 21.124 212 2HG2 ILE 34 HG22 ILE 34 13.943 20.654 20.654 213 3HG2 ILE 34 HG21 ILE 34 12.995 21.631 21.631 214 1HD1 ILE 34 HD13 ILE 34 14.907 20.958 20.958 215 2HD1 ILE 34 HD12 ILE 34 15.312 22.158 22.158 216 3HD1 ILE 34 HD11 ILE 34 13.727 21.384 21.384 217 H VAL 35 HN VAL 35 16.634 20.533 20.533 218 HA VAL 35 HA VAL 35 17.853 22.112 22.112 219 HB VAL 35 HB VAL 35 18.125 19.188 19.188 220 1HG1 VAL 35 HG12 VAL 35 18.506 20.527 20.527 221 2HG1 VAL 35 HG11 VAL 35 20.079 20.033 20.033 222 3HG1 VAL 35 HG13 VAL 35 18.805 18.835 18.835 223 1HG2 VAL 35 HG23 VAL 35 19.313 21.187 21.187 224 2HG2 VAL 35 HG22 VAL 35 20.220 19.733 19.733 225 3HG2 VAL 35 HG21 VAL 35 20.364 21.178 21.178 226 H ASN 36 HN ASN 36 16.038 19.033 19.033 227 HA ASN 36 HA ASN 36 14.612 19.879 19.879 228 1HB ASN 36 HB2 ASN 36 16.154 17.655 17.655 229 2HB ASN 36 HB1 ASN 36 14.568 17.014 17.014 230 1HD2 ASN 36 HD22 ASN 36 14.500 16.600 16.600 231 2HD2 ASN 36 HD21 ASN 36 15.031 15.816 15.816 232 H ASN 37 HN ASN 37 14.217 18.463 18.463 233 HA ASN 37 HA ASN 37 12.297 17.970 17.970 234 1HB ASN 37 HB2 ASN 37 10.416 19.794 19.794 235 2HB ASN 37 HB1 ASN 37 11.866 20.179 20.179 236 1HD2 ASN 37 HD22 ASN 37 11.169 22.126 22.126 237 2HD2 ASN 37 HD21 ASN 37 10.004 21.176 21.176 238 H THR 38 HN THR 38 10.447 19.320 19.320 239 HA THR 38 HA THR 38 8.338 18.323 18.323 240 HB THR 38 HB THR 38 9.453 18.686 18.686 241 HG1 THR 38 HG1 THR 38 8.079 16.787 16.787 242 1HG2 THR 38 HG21 THR 38 11.579 17.265 17.265 243 2HG2 THR 38 HG23 THR 38 11.408 16.691 16.691 244 3HG2 THR 38 HG22 THR 38 11.683 18.404 18.404 245 H GLU 39 HN GLU 39 10.653 15.668 15.668 246 HA GLU 39 HA GLU 39 8.628 13.919 13.919 247 1HB GLU 39 HB2 GLU 39 9.860 13.674 13.674 248 2HB GLU 39 HB1 GLU 39 10.057 12.222 12.222 249 1HG GLU 39 HG2 GLU 39 7.386 13.611 13.611 250 2HG GLU 39 HG1 GLU 39 7.906 12.406 12.406 251 H GLY 40 HN GLY 40 10.052 11.599 11.599 252 1HA GLY 40 HA2 GLY 40 11.896 10.548 10.548 253 2HA GLY 40 HA1 GLY 40 12.741 12.096 12.096 254 H ASP 41 HN ASP 41 10.992 9.891 9.891 255 HA ASP 41 HA ASP 41 9.714 11.361 11.361 256 1HB ASP 41 HB2 ASP 41 10.778 8.766 8.766 257 2HB ASP 41 HB1 ASP 41 11.509 9.462 9.462 258 H TRP 42 HN TRP 42 13.230 10.738 10.738 259 HA TRP 42 HA TRP 42 13.628 12.880 12.880 260 1HB TRP 42 HB2 TRP 42 15.307 10.610 10.610 261 2HB TRP 42 HB1 TRP 42 16.094 12.004 12.004 262 HD1 TRP 42 HD1 TRP 42 13.340 9.363 9.363 263 HE1 TRP 42 HE1 TRP 42 13.390 9.159 9.159 264 HE3 TRP 42 HE3 TRP 42 16.725 12.840 12.840 265 HZ2 TRP 42 HZ2 TRP 42 14.785 10.402 10.402 266 HZ3 TRP 42 HZ3 TRP 42 17.446 13.364 13.364 267 HH2 TRP 42 HH2 TRP 42 16.475 12.144 12.144 268 H TRP 43 HN TRP 43 13.983 14.884 14.884 269 HA TRP 43 HA TRP 43 14.744 15.245 15.245 270 1HB TRP 43 HB2 TRP 43 14.240 17.215 17.215 271 2HB TRP 43 HB1 TRP 43 14.600 17.681 17.681 272 HD1 TRP 43 HD1 TRP 43 12.772 15.143 15.143 273 HE1 TRP 43 HE1 TRP 43 10.283 15.599 15.599 274 HE3 TRP 43 HE3 TRP 43 12.665 18.754 18.754 275 HZ2 TRP 43 HZ2 TRP 43 8.376 17.376 17.376 276 HZ3 TRP 43 HZ3 TRP 43 10.575 19.849 19.849 277 HH2 TRP 43 HH2 TRP 43 8.432 19.159 19.159 278 H LEU 44 HN LEU 44 16.392 17.295 17.295 279 HA LEU 44 HA LEU 44 18.767 16.759 16.759 280 1HB LEU 44 HB2 LEU 44 18.969 15.408 15.408 281 2HB LEU 44 HB1 LEU 44 18.866 16.908 16.908 282 HG LEU 44 HG LEU 44 20.835 17.701 17.701 283 1HD1 LEU 44 HD11 LEU 44 20.421 15.405 15.405 284 2HD1 LEU 44 HD13 LEU 44 21.570 14.813 14.813 285 3HD1 LEU 44 HD12 LEU 44 22.022 16.135 16.135 286 1HD2 LEU 44 HD21 LEU 44 20.754 16.826 16.826 287 2HD2 LEU 44 HD23 LEU 44 22.294 17.130 17.130 288 3HD2 LEU 44 HD22 LEU 44 21.672 15.484 15.484 289 H ALA 45 HN ALA 45 19.361 18.729 18.729 290 HA ALA 45 HA ALA 45 18.850 21.109 21.109 291 1HB ALA 45 HB3 ALA 45 17.459 20.966 20.966 292 2HB ALA 45 HB2 ALA 45 18.957 21.085 21.085 293 3HB ALA 45 HB1 ALA 45 18.454 22.417 22.417 294 H HIS 46 HN HIS 46 20.343 22.995 22.995 295 HA HIS 46 HA HIS 46 23.091 21.913 21.913 296 1HB HIS 46 HB2 HIS 46 23.463 22.807 22.807 297 2HB HIS 46 HB1 HIS 46 21.953 23.710 23.710 298 HD1 HIS 46 HD1 HIS 46 25.513 24.109 24.109 299 HD2 HIS 46 HD2 HIS 46 22.130 26.358 26.358 300 HE1 HIS 46 HE1 HIS 46 26.271 26.395 26.395 301 H SER 47 HN SER 47 24.161 22.708 22.708 302 HA SER 47 HA SER 47 22.927 24.249 24.249 303 1HB SER 47 HB2 SER 47 25.887 24.034 24.034 304 2HB SER 47 HB1 SER 47 25.214 24.624 24.624 305 HG SER 47 HG SER 47 25.801 22.350 22.350 306 H LEU 48 HN LEU 48 24.091 26.468 26.468 307 HA LEU 48 HA LEU 48 24.111 28.247 28.247 308 1HB LEU 48 HB2 LEU 48 23.098 29.014 29.014 309 2HB LEU 48 HB1 LEU 48 22.929 29.927 29.927 310 HG LEU 48 HG LEU 48 21.707 27.201 27.201 311 1HD1 LEU 48 HD12 LEU 48 20.489 29.975 29.975 312 2HD1 LEU 48 HD11 LEU 48 19.562 28.477 28.477 313 3HD1 LEU 48 HD13 LEU 48 20.590 28.958 28.958 314 1HD2 LEU 48 HD23 LEU 48 22.312 28.561 28.561 315 2HD2 LEU 48 HD22 LEU 48 21.393 27.070 27.070 316 3HD2 LEU 48 HD21 LEU 48 20.564 28.626 28.626 317 H THR 49 HN THR 49 25.667 27.305 27.305 318 HA THR 49 HA THR 49 27.176 29.635 29.635 319 HB THR 49 HB THR 49 27.942 26.717 26.717 320 HG1 THR 49 HG1 THR 49 26.297 27.005 27.005 321 1HG2 THR 49 HG23 THR 49 29.324 29.252 29.252 322 2HG2 THR 49 HG22 THR 49 29.276 28.057 28.057 323 3HG2 THR 49 HG21 THR 49 29.990 27.640 27.640 324 H THR 50 HN THR 50 29.284 27.055 27.055 325 HA THR 50 HA THR 50 30.512 28.865 28.865 326 HB THR 50 HB THR 50 31.998 27.741 27.741 327 HG1 THR 50 HG1 THR 50 32.479 27.975 27.975 328 1HG2 THR 50 HG23 THR 50 30.786 25.220 25.220 329 2HG2 THR 50 HG22 THR 50 32.230 25.243 25.243 330 3HG2 THR 50 HG21 THR 50 30.684 25.775 25.775 331 H GLY 51 HN GLY 51 28.541 26.007 26.007 332 1HA GLY 51 HA2 GLY 51 27.291 25.673 25.673 333 2HA GLY 51 HA1 GLY 51 28.889 25.660 25.660 334 H GLN 52 HN GLN 52 26.696 23.539 23.539 335 HA GLN 52 HA GLN 52 28.384 21.265 21.265 336 1HB GLN 52 HB2 GLN 52 27.315 22.295 22.295 337 2HB GLN 52 HB1 GLN 52 27.052 20.572 20.572 338 1HG GLN 52 HG2 GLN 52 29.743 21.398 21.398 339 2HG GLN 52 HG1 GLN 52 29.407 21.747 21.747 340 1HE2 GLN 52 HE22 GLN 52 30.096 18.377 18.377 341 2HE2 GLN 52 HE21 GLN 52 30.386 20.014 20.014 342 H THR 53 HN THR 53 26.770 19.255 19.255 343 HA THR 53 HA THR 53 24.058 19.756 19.756 344 HB THR 53 HB THR 53 26.166 18.681 18.681 345 HG1 THR 53 HG1 THR 53 23.371 18.960 18.960 346 1HG2 THR 53 HG22 THR 53 25.482 16.494 16.494 347 2HG2 THR 53 HG21 THR 53 23.925 16.676 16.676 348 3HG2 THR 53 HG23 THR 53 25.400 16.510 16.510 349 H GLY 54 HN GLY 54 22.539 18.259 18.259 350 1HA GLY 54 HA2 GLY 54 23.312 15.777 15.777 351 2HA GLY 54 HA1 GLY 54 22.994 17.027 17.027 352 H TYR 55 HN TYR 55 21.530 14.478 14.478 353 HA TYR 55 HA TYR 55 19.013 15.456 15.456 354 1HB TYR 55 HB2 TYR 55 19.726 12.826 12.826 355 2HB TYR 55 HB1 TYR 55 18.230 13.152 13.152 356 HD1 TYR 55 HD1 TYR 55 18.422 13.881 13.881 357 HD2 TYR 55 HD2 TYR 55 21.662 12.151 12.151 358 HE1 TYR 55 HE1 TYR 55 19.524 13.320 13.320 359 HE2 TYR 55 HE2 TYR 55 22.764 11.589 11.589 360 HH TYR 55 HH TYR 55 22.592 12.682 12.682 361 H ILE 56 HN ILE 56 17.135 15.960 15.960 362 HA ILE 56 HA ILE 56 17.261 15.764 15.764 363 HB ILE 56 HB ILE 56 16.164 17.930 17.930 364 1HG1 ILE 56 HG12 ILE 56 14.918 17.598 17.598 365 2HG1 ILE 56 HG11 ILE 56 15.480 19.231 19.231 366 1HG2 ILE 56 HG21 ILE 56 18.763 17.538 17.538 367 2HG2 ILE 56 HG23 ILE 56 18.062 19.078 19.078 368 3HG2 ILE 56 HG22 ILE 56 18.277 18.719 18.719 369 1HD1 ILE 56 HD13 ILE 56 17.574 17.779 17.779 370 2HD1 ILE 56 HD12 ILE 56 16.086 17.655 17.655 371 3HD1 ILE 56 HD11 ILE 56 16.739 19.240 19.240 372 HA PRO 57 HA PRO 57 13.447 13.630 13.630 373 1HB PRO 57 HB2 PRO 57 12.413 14.814 14.814 374 2HB PRO 57 HB1 PRO 57 13.097 13.199 13.199 375 1HG PRO 57 HG2 PRO 57 14.296 15.458 15.458 376 2HG PRO 57 HG1 PRO 57 14.984 13.846 13.846 377 1HD PRO 57 HD1 PRO 57 15.751 16.296 16.296 378 2HD PRO 57 HD2 PRO 57 16.438 14.677 14.677 379 H SER 58 HN SER 58 11.759 14.233 14.233 380 HA SER 58 HA SER 58 11.077 16.984 16.984 381 1HB SER 58 HB2 SER 58 9.792 16.158 16.158 382 2HB SER 58 HB1 SER 58 10.646 14.655 14.655 383 HG SER 58 HG SER 58 8.493 14.191 14.191 384 H ASN 59 HN ASN 59 10.299 14.970 14.970 385 HA ASN 59 HA ASN 59 7.717 16.381 16.381 386 1HB ASN 59 HB2 ASN 59 8.514 13.706 13.706 387 2HB ASN 59 HB1 ASN 59 8.400 14.403 14.403 388 1HD2 ASN 59 HD22 ASN 59 4.906 13.999 13.999 389 2HD2 ASN 59 HD21 ASN 59 6.355 13.811 13.811 390 H TYR 60 HN TYR 60 10.995 16.513 16.513 391 HA TYR 60 HA TYR 60 10.444 17.694 17.694 392 1HB TYR 60 HB2 TYR 60 12.955 16.781 16.781 393 2HB TYR 60 HB1 TYR 60 13.032 17.800 17.800 394 HD1 TYR 60 HD1 TYR 60 10.157 15.631 15.631 395 HD2 TYR 60 HD2 TYR 60 14.244 15.782 15.782 396 HE1 TYR 60 HE1 TYR 60 9.824 13.659 13.659 397 HE2 TYR 60 HE2 TYR 60 13.909 13.809 13.809 398 HH TYR 60 HH TYR 60 11.507 11.737 11.737 399 H VAL 61 HN VAL 61 10.007 18.888 18.888 400 HA VAL 61 HA VAL 61 11.032 21.561 21.561 401 HB VAL 61 HB VAL 61 12.846 20.968 20.968 402 1HG1 VAL 61 HG13 VAL 61 10.957 19.072 19.072 403 2HG1 VAL 61 HG12 VAL 61 11.742 19.915 19.915 404 3HG1 VAL 61 HG11 VAL 61 12.716 19.063 19.063 405 1HG2 VAL 61 HG22 VAL 61 10.791 22.110 22.110 406 2HG2 VAL 61 HG21 VAL 61 11.808 23.046 23.046 407 3HG2 VAL 61 HG23 VAL 61 12.538 22.145 22.145 408 H ALA 62 HN ALA 62 10.076 23.232 23.232 409 HA ALA 62 HA ALA 62 7.537 22.307 22.307 410 1HB ALA 62 HB2 ALA 62 7.850 24.229 24.229 411 2HB ALA 62 HB1 ALA 62 6.592 24.547 24.547 412 3HB ALA 62 HB3 ALA 62 6.586 23.034 23.034 413 HA PRO 63 HA PRO 63 8.950 24.989 24.989 414 1HB PRO 63 HB2 PRO 63 6.319 25.336 25.336 415 2HB PRO 63 HB1 PRO 63 7.562 24.208 24.208 416 1HG PRO 63 HG2 PRO 63 5.117 23.606 23.606 417 2HG PRO 63 HG1 PRO 63 6.324 22.473 22.473 418 1HD PRO 63 HD1 PRO 63 5.851 23.237 23.237 419 2HD PRO 63 HD2 PRO 63 7.063 22.099 22.099 420 H SER 64 HN SER 64 9.327 26.754 26.754 421 HA SER 64 HA SER 64 8.010 29.167 29.167 422 1HB SER 64 HB2 SER 64 6.268 29.402 29.402 423 2HB SER 64 HB1 SER 64 6.306 27.641 27.641 424 HG SER 64 HG SER 64 6.459 28.235 28.235 425 1H ALA 71 HT3 ALA 71 15.270 14.471 14.471 426 2H ALA 71 HT2 ALA 71 16.455 15.516 15.516 427 3H ALA 71 HT1 ALA 71 15.211 16.129 16.129 428 HA ALA 71 HA ALA 71 14.515 16.720 16.720 429 1HB ALA 71 HB2 ALA 71 15.709 14.059 14.059 430 2HB ALA 71 HB1 ALA 71 14.539 14.841 14.841 431 3HB ALA 71 HB3 ALA 71 16.054 15.653 15.653 432 H PHE 72 HN PHE 72 13.992 13.330 13.330 433 HA PHE 72 HA PHE 72 11.981 12.105 12.105 434 1HB PHE 72 HB2 PHE 72 10.904 14.727 14.727 435 2HB PHE 72 HB1 PHE 72 10.375 13.098 13.098 436 HD1 PHE 72 HD1 PHE 72 12.989 11.719 11.719 437 HD2 PHE 72 HD2 PHE 72 11.761 15.580 15.580 438 HE1 PHE 72 HE1 PHE 72 14.653 11.638 11.638 439 HE2 PHE 72 HE2 PHE 72 13.427 15.495 15.495 440 HZ PHE 72 HZ PHE 72 14.874 13.526 13.526 441 H ALA 73 HN ALA 73 12.360 13.092 13.092 442 HA ALA 73 HA ALA 73 9.833 14.378 14.378 443 1HB ALA 73 HB3 ALA 73 12.510 14.100 14.100 444 2HB ALA 73 HB2 ALA 73 11.295 13.617 13.617 445 3HB ALA 73 HB1 ALA 73 11.233 15.224 15.224 446 HA PRO 74 HA PRO 74 7.698 10.788 10.788 447 1HB PRO 74 HB2 PRO 74 7.213 11.578 11.578 448 2HB PRO 74 HB1 PRO 74 6.107 11.684 11.684 449 1HG PRO 74 HG2 PRO 74 7.481 13.846 13.846 450 2HG PRO 74 HG1 PRO 74 6.366 13.951 13.951 451 1HD PRO 74 HD1 PRO 74 9.231 14.309 14.309 452 2HD PRO 74 HD2 PRO 74 8.112 14.411 14.411 453 HA PRO 75 HA PRO 75 10.351 7.994 7.994 454 1HB PRO 75 HB2 PRO 75 8.322 6.756 6.756 455 2HB PRO 75 HB1 PRO 75 9.035 6.151 6.151 456 1HG PRO 75 HG2 PRO 75 6.386 7.235 7.235 457 2HG PRO 75 HG1 PRO 75 7.096 6.625 6.625 458 1HD PRO 75 HD1 PRO 75 6.549 9.366 9.366 459 2HD PRO 75 HD2 PRO 75 7.282 8.756 8.756 460 H LEU 76 HN LEU 76 11.689 8.862 8.862 461 HA LEU 76 HA LEU 76 11.086 10.582 10.582 462 1HB LEU 76 HB2 LEU 76 13.146 8.357 8.357 463 2HB LEU 76 HB1 LEU 76 13.096 9.610 9.610 464 HG LEU 76 HG LEU 76 12.982 10.587 10.587 465 1HD1 LEU 76 HD11 LEU 76 15.232 8.938 8.938 466 2HD1 LEU 76 HD13 LEU 76 15.644 10.385 10.385 467 3HD1 LEU 76 HD12 LEU 76 14.664 9.120 9.120 468 1HD2 LEU 76 HD22 LEU 76 13.758 11.467 11.467 469 2HD2 LEU 76 HD21 LEU 76 13.430 12.433 12.433 470 3HD2 LEU 76 HD23 LEU 76 15.047 11.785 11.785 471 HA PRO 77 HA PRO 77 8.555 8.439 8.439 472 1HB PRO 77 HB2 PRO 77 9.790 9.676 9.676 473 2HB PRO 77 HB1 PRO 77 8.259 10.102 10.102 474 1HG PRO 77 HG2 PRO 77 10.744 11.566 11.566 475 2HG PRO 77 HG1 PRO 77 9.217 11.983 11.983 476 1HD PRO 77 HD1 PRO 77 11.639 10.998 10.998 477 2HD PRO 77 HD2 PRO 77 10.115 11.441 11.441 478 H ARG 78 HN ARG 78 8.874 6.353 6.353 479 HA ARG 78 HA ARG 78 11.288 5.007 5.007 480 1HB ARG 78 HB2 ARG 78 8.768 4.204 4.204 481 2HB ARG 78 HB1 ARG 78 9.163 4.314 4.314 482 1HG ARG 78 HG2 ARG 78 9.628 2.049 2.049 483 2HG ARG 78 HG1 ARG 78 11.101 2.839 2.839 484 1HD ARG 78 HD2 ARG 78 11.099 1.666 1.666 485 2HD ARG 78 HD1 ARG 78 11.873 3.243 3.243 486 HE ARG 78 HE ARG 78 10.182 4.161 4.161 487 1HH1 ARG 78 HH21 ARG 78 9.323 1.042 1.042 488 2HH1 ARG 78 HH22 ARG 78 7.891 0.920 0.920 489 1HH2 ARG 78 HH11 ARG 78 8.315 4.011 4.011 490 2HH2 ARG 78 HH12 ARG 78 7.322 2.596 2.596 491 H ARG 79 HN ARG 79 12.989 5.140 5.140 492 HA ARG 79 HA ARG 79 12.918 6.988 6.988 493 1HB ARG 79 HB2 ARG 79 15.015 4.927 4.927 494 2HB ARG 79 HB1 ARG 79 15.236 6.249 6.249 495 1HG ARG 79 HG2 ARG 79 14.358 7.671 7.671 496 2HG ARG 79 HG1 ARG 79 15.089 6.322 6.322 497 1HD ARG 79 HD2 ARG 79 17.152 6.685 6.685 498 2HD ARG 79 HD1 ARG 79 16.414 8.218 8.218 499 HE ARG 79 HE ARG 79 16.514 7.922 7.922 500 1HH1 ARG 79 HH21 ARG 79 18.317 8.684 8.684 501 2HH1 ARG 79 HH22 ARG 79 19.449 9.694 9.694 502 1HH2 ARG 79 HH11 ARG 79 17.987 9.237 9.237 503 2HH2 ARG 79 HH12 ARG 79 19.263 10.008 10.008 Start of MODEL 3 1 1H THR 9 HT2 THR 9 13.477 29.594 29.594 2 2H THR 9 HT1 THR 9 15.058 29.645 29.645 3 3H THR 9 HT3 THR 9 14.239 28.162 28.162 4 HA THR 9 HA THR 9 15.713 28.155 28.155 5 HB THR 9 HB THR 9 14.736 30.986 30.986 6 HG1 THR 9 HG1 THR 9 16.568 31.557 31.557 7 1HG2 THR 9 HG23 THR 9 15.273 29.402 29.402 8 2HG2 THR 9 HG22 THR 9 16.948 29.636 29.636 9 3HG2 THR 9 HG21 THR 9 15.965 31.024 31.024 10 H PHE 10 HN PHE 10 14.382 26.533 26.533 11 HA PHE 10 HA PHE 10 11.745 27.165 27.165 12 1HB PHE 10 HB2 PHE 10 13.423 24.659 24.659 13 2HB PHE 10 HB1 PHE 10 11.933 24.715 24.715 14 HD1 PHE 10 HD2 PHE 10 12.162 26.813 26.813 15 HD2 PHE 10 HD1 PHE 10 10.948 22.992 22.992 16 HE1 PHE 10 HE2 PHE 10 10.853 26.453 26.453 17 HE2 PHE 10 HE1 PHE 10 9.638 22.639 22.639 18 HZ PHE 10 HZ PHE 10 9.591 24.363 24.363 19 H VAL 11 HN VAL 11 11.586 25.726 25.726 20 HA VAL 11 HA VAL 11 13.660 26.939 26.939 21 HB VAL 11 HB VAL 11 10.664 26.822 26.822 22 1HG1 VAL 11 HG13 VAL 11 12.916 27.850 27.850 23 2HG1 VAL 11 HG12 VAL 11 11.196 28.016 28.016 24 3HG1 VAL 11 HG11 VAL 11 11.936 26.417 26.417 25 1HG2 VAL 11 HG21 VAL 11 12.577 29.147 29.147 26 2HG2 VAL 11 HG23 VAL 11 11.351 28.613 28.613 27 3HG2 VAL 11 HG22 VAL 11 10.865 29.295 29.295 28 H ALA 12 HN ALA 12 13.986 25.741 25.741 29 HA ALA 12 HA ALA 12 13.505 22.850 22.850 30 1HB ALA 12 HB1 ALA 12 15.237 24.477 24.477 31 2HB ALA 12 HB3 ALA 12 14.956 22.759 22.759 32 3HB ALA 12 HB2 ALA 12 15.730 23.289 23.289 33 H LEU 13 HN LEU 13 11.276 22.662 22.662 34 HA LEU 13 HA LEU 13 10.080 23.765 23.765 35 1HB LEU 13 HB2 LEU 13 9.259 21.438 21.438 36 2HB LEU 13 HB1 LEU 13 8.258 22.112 22.112 37 HG LEU 13 HG LEU 13 9.315 23.666 23.666 38 1HD1 LEU 13 HD12 LEU 13 6.668 22.356 22.356 39 2HD1 LEU 13 HD11 LEU 13 6.769 23.731 23.731 40 3HD1 LEU 13 HD13 LEU 13 7.636 22.240 22.240 41 1HD2 LEU 13 HD21 LEU 13 7.398 24.401 24.401 42 2HD2 LEU 13 HD23 LEU 13 9.016 25.059 25.059 43 3HD2 LEU 13 HD22 LEU 13 7.740 25.408 25.408 44 H TYR 14 HN TYR 14 11.766 20.755 20.755 45 HA TYR 14 HA TYR 14 11.518 20.056 20.056 46 1HB TYR 14 HB2 TYR 14 11.486 18.216 18.216 47 2HB TYR 14 HB1 TYR 14 11.636 17.656 17.656 48 HD1 TYR 14 HD2 TYR 14 9.520 20.092 20.092 49 HD2 TYR 14 HD1 TYR 14 9.630 16.983 16.983 50 HE1 TYR 14 HE2 TYR 14 7.105 20.316 20.316 51 HE2 TYR 14 HE1 TYR 14 7.199 17.163 17.163 52 HH TYR 14 HH TYR 14 5.197 18.216 18.216 53 H ASP 15 HN ASP 15 13.431 19.394 19.394 54 HA ASP 15 HA ASP 15 15.917 20.140 20.140 55 1HB ASP 15 HB2 ASP 15 16.930 19.204 19.204 56 2HB ASP 15 HB1 ASP 15 15.576 20.261 20.261 57 H TYR 16 HN TYR 16 15.926 18.815 18.815 58 HA TYR 16 HA TYR 16 15.729 15.967 15.967 59 1HB TYR 16 HB2 TYR 16 15.580 17.224 17.224 60 2HB TYR 16 HB1 TYR 16 17.222 17.833 17.833 61 HD1 TYR 16 HD1 TYR 16 16.128 14.377 14.377 62 HD2 TYR 16 HD2 TYR 16 18.222 16.862 16.862 63 HE1 TYR 16 HE1 TYR 16 17.007 12.388 12.388 64 HE2 TYR 16 HE2 TYR 16 19.096 14.872 14.872 65 HH TYR 16 HH TYR 16 17.890 11.741 11.741 66 H GLU 17 HN GLU 17 17.088 14.534 14.534 67 HA GLU 17 HA GLU 17 19.936 15.357 15.357 68 1HB GLU 17 HB2 GLU 17 18.783 15.085 15.085 69 2HB GLU 17 HB1 GLU 17 18.206 13.490 13.490 70 1HG GLU 17 HG2 GLU 17 20.150 13.191 13.191 71 2HG GLU 17 HG1 GLU 17 20.604 12.768 12.768 72 H SER 18 HN SER 18 20.383 14.479 14.479 73 HA SER 18 HA SER 18 19.811 11.874 11.874 74 1HB SER 18 HB2 SER 18 21.328 12.286 12.286 75 2HB SER 18 HB1 SER 18 21.210 13.931 13.931 76 HG SER 18 HG SER 18 23.200 11.993 11.993 77 H ARG 19 HN ARG 19 21.403 10.015 10.015 78 HA ARG 19 HA ARG 19 22.891 9.770 9.770 79 1HB ARG 19 HB2 ARG 19 20.919 8.022 8.022 80 2HB ARG 19 HB1 ARG 19 22.385 7.182 7.182 81 1HG ARG 19 HG2 ARG 19 21.672 7.225 7.225 82 2HG ARG 19 HG1 ARG 19 21.641 8.988 8.988 83 1HD ARG 19 HD2 ARG 19 19.389 8.999 8.999 84 2HD ARG 19 HD1 ARG 19 19.382 7.911 7.911 85 HE ARG 19 HE ARG 19 18.889 7.144 7.144 86 1HH1 ARG 19 HH21 ARG 19 20.286 6.180 6.180 87 2HH1 ARG 19 HH22 ARG 19 20.073 4.488 4.488 88 1HH2 ARG 19 HH11 ARG 19 18.609 4.939 4.939 89 2HH2 ARG 19 HH12 ARG 19 19.126 3.786 3.786 90 H THR 20 HN THR 20 23.255 10.013 10.013 91 HA THR 20 HA THR 20 25.859 8.551 8.551 92 HB THR 20 HB THR 20 24.577 7.201 7.201 93 HG1 THR 20 HG1 THR 20 26.435 7.692 7.692 94 1HG2 THR 20 HG22 THR 20 23.326 9.807 9.807 95 2HG2 THR 20 HG21 THR 20 23.348 8.537 8.537 96 3HG2 THR 20 HG23 THR 20 22.566 8.251 8.251 97 H GLU 21 HN GLU 21 27.291 9.390 9.390 98 HA GLU 21 HA GLU 21 27.486 12.287 12.287 99 1HB GLU 21 HB2 GLU 21 29.129 10.170 10.170 100 2HB GLU 21 HB1 GLU 21 29.424 11.871 11.871 101 1HG GLU 21 HG2 GLU 21 29.148 11.552 11.552 102 2HG GLU 21 HG1 GLU 21 30.319 10.373 10.373 103 H THR 22 HN THR 22 25.965 10.164 10.164 104 HA THR 22 HA THR 22 26.156 11.593 11.593 105 HB THR 22 HB THR 22 23.675 10.178 10.178 106 HG1 THR 22 HG1 THR 22 25.379 8.785 8.785 107 1HG2 THR 22 HG21 THR 22 24.797 10.718 10.718 108 2HG2 THR 22 HG23 THR 22 23.415 9.670 9.670 109 3HG2 THR 22 HG22 THR 22 23.321 11.392 11.392 110 H ASP 23 HN ASP 23 23.189 11.684 11.684 111 HA ASP 23 HA ASP 23 22.717 14.450 14.450 112 1HB ASP 23 HB2 ASP 23 20.935 13.067 13.067 113 2HB ASP 23 HB1 ASP 23 20.507 14.140 14.140 114 H LEU 24 HN LEU 24 22.968 16.245 16.245 115 HA LEU 24 HA LEU 24 24.373 15.838 15.838 116 1HB LEU 24 HB2 LEU 24 23.331 18.511 18.511 117 2HB LEU 24 HB1 LEU 24 24.783 18.145 18.145 118 HG LEU 24 HG LEU 24 25.741 18.595 18.595 119 1HD1 LEU 24 HD12 LEU 24 25.738 15.950 15.950 120 2HD1 LEU 24 HD11 LEU 24 25.068 15.885 15.885 121 3HD1 LEU 24 HD13 LEU 24 26.645 16.626 16.626 122 1HD2 LEU 24 HD23 LEU 24 23.032 18.079 18.079 123 2HD2 LEU 24 HD22 LEU 24 24.260 19.148 19.148 124 3HD2 LEU 24 HD21 LEU 24 24.235 17.441 17.441 125 H SER 25 HN SER 25 23.367 17.898 17.898 126 HA SER 25 HA SER 25 20.540 17.099 17.099 127 1HB SER 25 HB2 SER 25 21.810 17.770 17.770 128 2HB SER 25 HB1 SER 25 21.175 16.210 16.210 129 HG SER 25 HG SER 25 23.156 15.586 15.586 130 H PHE 26 HN PHE 26 19.191 18.801 18.801 131 HA PHE 26 HA PHE 26 20.488 21.455 21.455 132 1HB PHE 26 HB2 PHE 26 18.705 22.497 22.497 133 2HB PHE 26 HB1 PHE 26 19.678 21.377 21.377 134 HD1 PHE 26 HD2 PHE 26 16.474 21.764 21.764 135 HD2 PHE 26 HD1 PHE 26 18.672 19.418 19.418 136 HE1 PHE 26 HE2 PHE 26 14.426 20.534 20.534 137 HE2 PHE 26 HE1 PHE 26 16.625 18.185 18.185 138 HZ PHE 26 HZ PHE 26 14.499 18.746 18.746 139 H LYS 27 HN LYS 27 19.697 22.481 22.481 140 HA LYS 27 HA LYS 27 17.572 21.181 21.181 141 1HB LYS 27 HB2 LYS 27 18.825 23.845 23.845 142 2HB LYS 27 HB1 LYS 27 18.176 22.631 22.631 143 1HG LYS 27 HG2 LYS 27 20.665 22.330 22.330 144 2HG LYS 27 HG1 LYS 27 20.634 22.586 22.586 145 1HD LYS 27 HD2 LYS 27 19.001 20.435 20.435 146 2HD LYS 27 HD1 LYS 27 20.035 20.132 20.132 147 1HE LYS 27 HE2 LYS 27 22.020 20.182 20.182 148 2HE LYS 27 HE1 LYS 27 21.126 20.790 20.790 149 1HZ LYS 27 HZ3 LYS 27 20.332 18.240 18.240 150 2HZ LYS 27 HZ2 LYS 27 21.677 18.279 18.279 151 3HZ LYS 27 HZ1 LYS 27 20.154 18.766 18.766 152 H LYS 28 HN LYS 28 15.847 22.726 22.726 153 HA LYS 28 HA LYS 28 14.295 23.805 23.805 154 1HB LYS 28 HB2 LYS 28 13.093 22.864 22.864 155 2HB LYS 28 HB1 LYS 28 13.951 23.880 23.880 156 1HG LYS 28 HG2 LYS 28 12.896 25.880 25.880 157 2HG LYS 28 HG1 LYS 28 12.132 24.938 24.938 158 1HD LYS 28 HD2 LYS 28 10.368 24.782 24.782 159 2HD LYS 28 HD1 LYS 28 11.345 23.588 23.588 160 1HE LYS 28 HE2 LYS 28 11.313 24.945 24.945 161 2HE LYS 28 HE1 LYS 28 12.274 26.102 26.102 162 1HZ LYS 28 HZ3 LYS 28 9.507 26.157 26.157 163 2HZ LYS 28 HZ2 LYS 28 9.743 26.498 26.498 164 3HZ LYS 28 HZ1 LYS 28 10.529 27.431 27.431 165 H GLY 29 HN GLY 29 14.025 25.950 25.950 166 1HA GLY 29 HA2 GLY 29 14.143 28.352 28.352 167 2HA GLY 29 HA1 GLY 29 15.463 28.014 28.014 168 H GLU 30 HN GLU 30 16.612 26.079 26.079 169 HA GLU 30 HA GLU 30 18.190 28.096 28.096 170 1HB GLU 30 HB2 GLU 30 19.435 26.269 26.269 171 2HB GLU 30 HB1 GLU 30 18.371 25.079 25.079 172 1HG GLU 30 HG2 GLU 30 19.268 25.418 25.418 173 2HG GLU 30 HG1 GLU 30 19.808 27.054 27.054 174 H ARG 31 HN ARG 31 18.003 28.527 28.527 175 HA ARG 31 HA ARG 31 15.777 27.181 27.181 176 1HB ARG 31 HB2 ARG 31 17.406 29.637 29.637 177 2HB ARG 31 HB1 ARG 31 16.016 29.030 29.030 178 1HG ARG 31 HG2 ARG 31 14.663 30.205 30.205 179 2HG ARG 31 HG1 ARG 31 15.213 29.214 29.214 180 1HD ARG 31 HD2 ARG 31 17.086 30.735 30.735 181 2HD ARG 31 HD1 ARG 31 16.637 31.693 31.693 182 HE ARG 31 HE ARG 31 14.484 31.462 31.462 183 1HH1 ARG 31 HH21 ARG 31 17.352 33.123 33.123 184 2HH1 ARG 31 HH22 ARG 31 16.926 34.595 34.595 185 1HH2 ARG 31 HH11 ARG 31 13.922 33.376 33.376 186 2HH2 ARG 31 HH12 ARG 31 14.988 34.739 34.739 187 H LEU 32 HN LEU 32 16.176 26.624 26.624 188 HA LEU 32 HA LEU 32 19.008 26.023 26.023 189 1HB LEU 32 HB2 LEU 32 16.817 23.932 23.932 190 2HB LEU 32 HB1 LEU 32 18.386 23.663 23.663 191 HG LEU 32 HG LEU 32 19.119 24.718 24.718 192 1HD1 LEU 32 HD11 LEU 32 16.541 24.419 24.419 193 2HD1 LEU 32 HD13 LEU 32 16.990 22.728 22.728 194 3HD1 LEU 32 HD12 LEU 32 17.732 23.976 23.976 195 1HD2 LEU 32 HD22 LEU 32 19.471 22.375 22.375 196 2HD2 LEU 32 HD21 LEU 32 20.216 22.741 22.741 197 3HD2 LEU 32 HD23 LEU 32 18.720 21.809 21.809 198 H GLN 33 HN GLN 33 19.150 25.176 25.176 199 HA GLN 33 HA GLN 33 17.078 26.576 26.576 200 1HB GLN 33 HB2 GLN 33 19.887 26.678 26.678 201 2HB GLN 33 HB1 GLN 33 19.429 25.733 25.733 202 1HG GLN 33 HG2 GLN 33 17.848 27.512 27.512 203 2HG GLN 33 HG1 GLN 33 18.319 28.458 28.458 204 1HE2 GLN 33 HE21 GLN 33 19.533 27.160 27.160 205 2HE2 GLN 33 HE22 GLN 33 20.854 28.220 28.220 206 H ILE 34 HN ILE 34 15.539 25.040 25.040 207 HA ILE 34 HA ILE 34 15.986 22.257 22.257 208 HB ILE 34 HB ILE 34 13.882 24.030 24.030 209 1HG1 ILE 34 HG12 ILE 34 13.849 24.057 24.057 210 2HG1 ILE 34 HG11 ILE 34 12.471 23.139 23.139 211 1HG2 ILE 34 HG23 ILE 34 14.225 21.031 21.031 212 2HG2 ILE 34 HG22 ILE 34 12.633 21.766 21.766 213 3HG2 ILE 34 HG21 ILE 34 13.875 22.029 22.029 214 1HD1 ILE 34 HD13 ILE 34 14.015 21.068 21.068 215 2HD1 ILE 34 HD12 ILE 34 15.017 22.103 22.103 216 3HD1 ILE 34 HD11 ILE 34 13.350 21.761 21.761 217 H VAL 35 HN VAL 35 16.017 20.989 20.989 218 HA VAL 35 HA VAL 35 17.349 22.491 22.491 219 HB VAL 35 HB VAL 35 17.751 19.620 19.620 220 1HG1 VAL 35 HG13 VAL 35 18.644 21.183 21.183 221 2HG1 VAL 35 HG12 VAL 35 19.710 19.947 19.947 222 3HG1 VAL 35 HG11 VAL 35 18.099 19.509 19.509 223 1HG2 VAL 35 HG21 VAL 35 19.229 22.192 22.192 224 2HG2 VAL 35 HG23 VAL 35 19.028 20.839 20.839 225 3HG2 VAL 35 HG22 VAL 35 20.175 20.720 20.720 226 H ASN 36 HN ASN 36 15.114 19.872 19.872 227 HA ASN 36 HA ASN 36 13.380 20.402 20.402 228 1HB ASN 36 HB2 ASN 36 15.373 19.487 19.487 229 2HB ASN 36 HB1 ASN 36 15.114 17.954 17.954 230 1HD2 ASN 36 HD22 ASN 36 12.871 18.832 18.832 231 2HD2 ASN 36 HD21 ASN 36 14.239 19.732 19.732 232 H ASN 37 HN ASN 37 11.449 19.386 19.386 233 HA ASN 37 HA ASN 37 11.455 17.385 17.385 234 1HB ASN 37 HB2 ASN 37 9.371 19.263 19.263 235 2HB ASN 37 HB1 ASN 37 8.916 17.901 17.901 236 1HD2 ASN 37 HD22 ASN 37 11.610 20.172 20.172 237 2HD2 ASN 37 HD21 ASN 37 12.044 19.344 19.344 238 H THR 38 HN THR 38 11.877 15.451 15.451 239 HA THR 38 HA THR 38 10.003 14.770 14.770 240 HB THR 38 HB THR 38 12.003 14.249 14.249 241 HG1 THR 38 HG1 THR 38 12.530 12.083 12.083 242 1HG2 THR 38 HG22 THR 38 13.039 14.032 14.032 243 2HG2 THR 38 HG21 THR 38 14.010 13.516 13.516 244 3HG2 THR 38 HG23 THR 38 13.488 15.195 15.195 245 H GLU 39 HN GLU 39 11.661 13.124 13.124 246 HA GLU 39 HA GLU 39 9.857 10.919 10.919 247 1HB GLU 39 HB2 GLU 39 11.723 12.152 12.152 248 2HB GLU 39 HB1 GLU 39 10.750 10.733 10.733 249 1HG GLU 39 HG2 GLU 39 12.046 9.368 9.368 250 2HG GLU 39 HG1 GLU 39 12.178 10.560 10.560 251 H GLY 40 HN GLY 40 8.894 10.771 10.771 252 1HA GLY 40 HA2 GLY 40 6.960 13.054 13.054 253 2HA GLY 40 HA1 GLY 40 6.509 11.397 11.397 254 H ASP 41 HN ASP 41 9.562 11.769 11.769 255 HA ASP 41 HA ASP 41 8.905 13.242 13.242 256 1HB ASP 41 HB2 ASP 41 9.552 10.300 10.300 257 2HB ASP 41 HB1 ASP 41 9.010 11.414 11.414 258 H TRP 42 HN TRP 42 11.009 12.942 12.942 259 HA TRP 42 HA TRP 42 13.295 13.416 13.416 260 1HB TRP 42 HB2 TRP 42 13.062 10.914 10.914 261 2HB TRP 42 HB1 TRP 42 14.645 11.625 11.625 262 HD1 TRP 42 HD1 TRP 42 12.285 9.211 9.211 263 HE1 TRP 42 HE1 TRP 42 12.873 8.929 8.929 264 HE3 TRP 42 HE3 TRP 42 15.289 13.111 13.111 265 HZ2 TRP 42 HZ2 TRP 42 14.501 10.303 10.303 266 HZ3 TRP 42 HZ3 TRP 42 16.361 13.677 13.677 267 HH2 TRP 42 HH2 TRP 42 15.968 12.272 12.272 268 H TRP 43 HN TRP 43 14.172 15.184 15.184 269 HA TRP 43 HA TRP 43 14.442 15.236 15.236 270 1HB TRP 43 HB2 TRP 43 13.852 17.621 17.621 271 2HB TRP 43 HB1 TRP 43 13.998 17.637 17.637 272 HD1 TRP 43 HD1 TRP 43 12.260 14.867 14.867 273 HE1 TRP 43 HE1 TRP 43 9.761 15.117 15.117 274 HE3 TRP 43 HE3 TRP 43 12.212 19.039 19.039 275 HZ2 TRP 43 HZ2 TRP 43 7.873 16.982 16.982 276 HZ3 TRP 43 HZ3 TRP 43 10.128 20.086 20.086 277 HH2 TRP 43 HH2 TRP 43 7.958 19.056 19.056 278 H LEU 44 HN LEU 44 16.228 16.806 16.806 279 HA LEU 44 HA LEU 44 18.502 16.486 16.486 280 1HB LEU 44 HB2 LEU 44 18.726 15.684 15.684 281 2HB LEU 44 HB1 LEU 44 18.547 17.357 17.357 282 HG LEU 44 HG LEU 44 20.642 16.559 16.559 283 1HD1 LEU 44 HD11 LEU 44 20.542 15.956 15.956 284 2HD1 LEU 44 HD13 LEU 44 21.934 16.953 16.953 285 3HD1 LEU 44 HD12 LEU 44 21.688 15.402 15.402 286 1HD2 LEU 44 HD22 LEU 44 20.008 18.939 18.939 287 2HD2 LEU 44 HD21 LEU 44 20.482 18.880 18.880 288 3HD2 LEU 44 HD23 LEU 44 21.688 18.627 18.627 289 H ALA 45 HN ALA 45 19.221 18.254 18.254 290 HA ALA 45 HA ALA 45 18.429 20.936 20.936 291 1HB ALA 45 HB2 ALA 45 18.640 20.056 20.056 292 2HB ALA 45 HB1 ALA 45 18.280 21.696 21.696 293 3HB ALA 45 HB3 ALA 45 17.145 20.388 20.388 294 H HIS 46 HN HIS 46 19.905 22.685 22.685 295 HA HIS 46 HA HIS 46 22.678 21.755 21.755 296 1HB HIS 46 HB2 HIS 46 22.978 22.213 22.213 297 2HB HIS 46 HB1 HIS 46 21.609 23.314 23.314 298 HD1 HIS 46 HD1 HIS 46 25.200 23.300 23.300 299 HD2 HIS 46 HD2 HIS 46 22.183 26.014 26.014 300 HE1 HIS 46 HE1 HIS 46 26.282 25.487 25.487 301 H SER 47 HN SER 47 23.564 22.854 22.854 302 HA SER 47 HA SER 47 22.088 24.921 24.921 303 1HB SER 47 HB2 SER 47 24.764 23.617 23.617 304 2HB SER 47 HB1 SER 47 24.460 25.133 25.133 305 HG SER 47 HG SER 47 23.744 23.592 23.592 306 H LEU 48 HN LEU 48 23.881 26.860 26.860 307 HA LEU 48 HA LEU 48 24.639 28.110 28.110 308 1HB LEU 48 HB2 LEU 48 23.627 29.601 29.601 309 2HB LEU 48 HB1 LEU 48 23.883 30.244 30.244 310 HG LEU 48 HG LEU 48 21.863 28.107 28.107 311 1HD1 LEU 48 HD11 LEU 48 21.697 31.073 31.073 312 2HD1 LEU 48 HD13 LEU 48 20.316 30.044 30.044 313 3HD1 LEU 48 HD12 LEU 48 20.942 30.107 30.107 314 1HD2 LEU 48 HD22 LEU 48 22.969 29.078 29.078 315 2HD2 LEU 48 HD21 LEU 48 22.082 27.594 27.594 316 3HD2 LEU 48 HD23 LEU 48 21.206 29.098 29.098 317 H THR 49 HN THR 49 25.675 27.095 27.095 318 HA THR 49 HA THR 49 27.768 29.092 29.092 319 HB THR 49 HB THR 49 28.350 26.627 26.627 320 HG1 THR 49 HG1 THR 49 26.252 26.023 26.023 321 1HG2 THR 49 HG22 THR 49 27.625 29.447 29.447 322 2HG2 THR 49 HG21 THR 49 27.447 28.261 28.261 323 3HG2 THR 49 HG23 THR 49 29.016 28.500 28.500 324 H THR 50 HN THR 50 28.338 25.588 25.588 325 HA THR 50 HA THR 50 30.752 26.131 26.131 326 HB THR 50 HB THR 50 30.228 23.323 23.323 327 HG1 THR 50 HG1 THR 50 30.543 23.784 23.784 328 1HG2 THR 50 HG23 THR 50 32.395 24.887 24.887 329 2HG2 THR 50 HG22 THR 50 32.279 24.847 24.847 330 3HG2 THR 50 HG21 THR 50 32.440 23.344 23.344 331 H GLY 51 HN GLY 51 27.567 24.692 24.692 332 1HA GLY 51 HA2 GLY 51 26.455 24.546 24.546 333 2HA GLY 51 HA1 GLY 51 28.032 24.494 24.494 334 H GLN 52 HN GLN 52 27.568 22.547 22.547 335 HA GLN 52 HA GLN 52 28.176 20.123 20.123 336 1HB GLN 52 HB2 GLN 52 27.783 20.934 20.934 337 2HB GLN 52 HB1 GLN 52 26.944 19.416 19.416 338 1HG GLN 52 HG2 GLN 52 28.896 18.277 18.277 339 2HG GLN 52 HG1 GLN 52 29.713 19.721 19.721 340 1HE2 GLN 52 HE22 GLN 52 30.404 20.861 20.861 341 2HE2 GLN 52 HE21 GLN 52 29.743 21.503 21.503 342 H THR 53 HN THR 53 26.813 18.736 18.736 343 HA THR 53 HA THR 53 23.950 19.394 19.394 344 HB THR 53 HB THR 53 25.681 17.329 17.329 345 HG1 THR 53 HG1 THR 53 24.398 19.736 19.736 346 1HG2 THR 53 HG22 THR 53 22.686 17.706 17.706 347 2HG2 THR 53 HG21 THR 53 23.549 16.952 16.952 348 3HG2 THR 53 HG23 THR 53 23.596 16.218 16.218 349 H GLY 54 HN GLY 54 22.289 18.087 18.087 350 1HA GLY 54 HA2 GLY 54 22.908 15.505 15.505 351 2HA GLY 54 HA1 GLY 54 22.511 16.776 16.776 352 H TYR 55 HN TYR 55 21.122 14.243 14.243 353 HA TYR 55 HA TYR 55 18.697 15.309 15.309 354 1HB TYR 55 HB2 TYR 55 19.273 12.609 12.609 355 2HB TYR 55 HB1 TYR 55 17.851 12.997 12.997 356 HD1 TYR 55 HD2 TYR 55 18.933 14.623 14.623 357 HD2 TYR 55 HD1 TYR 55 20.590 11.158 11.158 358 HE1 TYR 55 HE2 TYR 55 20.186 14.139 14.139 359 HE2 TYR 55 HE1 TYR 55 21.843 10.675 10.675 360 HH TYR 55 HH TYR 55 21.454 11.295 11.295 361 H ILE 56 HN ILE 56 17.467 16.656 16.656 362 HA ILE 56 HA ILE 56 17.151 16.030 16.030 363 HB ILE 56 HB ILE 56 15.814 18.191 18.191 364 1HG1 ILE 56 HG12 ILE 56 16.993 18.957 18.957 365 2HG1 ILE 56 HG11 ILE 56 15.713 17.750 17.750 366 1HG2 ILE 56 HG21 ILE 56 18.553 17.735 17.735 367 2HG2 ILE 56 HG23 ILE 56 18.363 19.013 19.013 368 3HG2 ILE 56 HG22 ILE 56 17.766 19.250 19.250 369 1HD1 ILE 56 HD11 ILE 56 14.834 19.670 19.670 370 2HD1 ILE 56 HD13 ILE 56 15.477 20.574 20.574 371 3HD1 ILE 56 HD12 ILE 56 14.194 19.389 19.389 372 HA PRO 57 HA PRO 57 13.358 13.881 13.881 373 1HB PRO 57 HB2 PRO 57 12.314 14.772 14.772 374 2HB PRO 57 HB1 PRO 57 13.052 13.212 13.212 375 1HG PRO 57 HG2 PRO 57 14.173 15.370 15.370 376 2HG PRO 57 HG1 PRO 57 14.907 13.805 13.805 377 1HD PRO 57 HD1 PRO 57 15.602 16.392 16.392 378 2HD PRO 57 HD2 PRO 57 16.351 14.824 14.824 379 H SER 58 HN SER 58 11.214 14.397 14.397 380 HA SER 58 HA SER 58 10.699 17.236 17.236 381 1HB SER 58 HB2 SER 58 9.343 16.469 16.469 382 2HB SER 58 HB1 SER 58 9.995 14.873 14.873 383 HG SER 58 HG SER 58 8.298 14.596 14.596 384 H ASN 59 HN ASN 59 9.819 14.884 14.884 385 HA ASN 59 HA ASN 59 7.457 16.402 16.402 386 1HB ASN 59 HB2 ASN 59 8.735 13.803 13.803 387 2HB ASN 59 HB1 ASN 59 7.860 14.612 14.612 388 1HD2 ASN 59 HD22 ASN 59 5.760 12.658 12.658 389 2HD2 ASN 59 HD21 ASN 59 7.424 12.442 12.442 390 H TYR 60 HN TYR 60 10.402 17.383 17.383 391 HA TYR 60 HA TYR 60 10.304 18.244 18.244 392 1HB TYR 60 HB2 TYR 60 12.686 17.413 17.413 393 2HB TYR 60 HB1 TYR 60 12.855 18.366 18.366 394 HD1 TYR 60 HD2 TYR 60 10.937 15.334 15.334 395 HD2 TYR 60 HD1 TYR 60 13.298 17.134 17.134 396 HE1 TYR 60 HE2 TYR 60 10.761 13.291 13.291 397 HE2 TYR 60 HE1 TYR 60 13.124 15.091 15.091 398 HH TYR 60 HH TYR 60 11.215 13.067 13.067 399 H VAL 61 HN VAL 61 11.079 19.056 19.056 400 HA VAL 61 HA VAL 61 11.532 21.884 21.884 401 HB VAL 61 HB VAL 61 13.225 20.989 20.989 402 1HG1 VAL 61 HG11 VAL 61 10.931 20.358 20.358 403 2HG1 VAL 61 HG13 VAL 61 12.641 20.153 20.153 404 3HG1 VAL 61 HG12 VAL 61 11.892 19.167 19.167 405 1HG2 VAL 61 HG21 VAL 61 12.455 23.337 23.337 406 2HG2 VAL 61 HG23 VAL 61 13.136 22.600 22.600 407 3HG2 VAL 61 HG22 VAL 61 11.388 22.750 22.750 408 H ALA 62 HN ALA 62 10.525 23.522 23.522 409 HA ALA 62 HA ALA 62 7.986 22.667 22.667 410 1HB ALA 62 HB1 ALA 62 8.190 24.188 24.188 411 2HB ALA 62 HB3 ALA 62 6.987 24.745 24.745 412 3HB ALA 62 HB2 ALA 62 6.927 23.090 23.090 413 HA PRO 63 HA PRO 63 9.129 25.825 25.825 414 1HB PRO 63 HB2 PRO 63 6.415 26.415 26.415 415 2HB PRO 63 HB1 PRO 63 7.563 25.393 25.393 416 1HG PRO 63 HG2 PRO 63 5.253 24.564 24.564 417 2HG PRO 63 HG1 PRO 63 6.376 23.547 23.547 418 1HD PRO 63 HD1 PRO 63 6.163 23.820 23.820 419 2HD PRO 63 HD2 PRO 63 7.297 22.807 22.807 420 H SER 64 HN SER 64 9.778 27.759 27.759 421 HA SER 64 HA SER 64 9.666 29.761 29.761 422 1HB SER 64 HB2 SER 64 7.734 31.204 31.204 423 2HB SER 64 HB1 SER 64 8.628 30.504 30.504 424 HG SER 64 HG SER 64 6.063 30.271 30.271 425 1H ALA 71 HT3 ALA 71 9.473 18.704 18.704 426 2H ALA 71 HT2 ALA 71 8.201 19.723 19.723 427 3H ALA 71 HT1 ALA 71 8.135 18.926 18.926 428 HA ALA 71 HA ALA 71 7.101 17.221 17.221 429 1HB ALA 71 HB3 ALA 71 7.571 18.785 18.785 430 2HB ALA 71 HB2 ALA 71 6.567 17.338 17.338 431 3HB ALA 71 HB1 ALA 71 6.114 18.781 18.781 432 H PHE 72 HN PHE 72 7.439 15.249 15.249 433 HA PHE 72 HA PHE 72 10.351 14.709 14.709 434 1HB PHE 72 HB2 PHE 72 8.299 13.234 13.234 435 2HB PHE 72 HB1 PHE 72 8.487 12.484 12.484 436 HD1 PHE 72 HD2 PHE 72 10.804 11.693 11.693 437 HD2 PHE 72 HD1 PHE 72 9.933 12.885 12.885 438 HE1 PHE 72 HE2 PHE 72 12.816 10.527 10.527 439 HE2 PHE 72 HE1 PHE 72 11.946 11.717 11.717 440 HZ PHE 72 HZ PHE 72 13.390 10.539 10.539 441 H ALA 73 HN ALA 73 11.264 14.102 14.102 442 HA ALA 73 HA ALA 73 9.752 14.832 14.832 443 1HB ALA 73 HB3 ALA 73 12.361 15.017 15.017 444 2HB ALA 73 HB2 ALA 73 12.378 13.425 13.425 445 3HB ALA 73 HB1 ALA 73 11.784 14.824 14.824 446 HA PRO 74 HA PRO 74 8.077 10.833 10.833 447 1HB PRO 74 HB2 PRO 74 8.063 11.341 11.341 448 2HB PRO 74 HB1 PRO 74 6.699 11.380 11.380 449 1HG PRO 74 HG2 PRO 74 7.989 13.621 13.621 450 2HG PRO 74 HG1 PRO 74 6.675 13.662 13.662 451 1HD PRO 74 HD1 PRO 74 9.459 14.367 14.367 452 2HD PRO 74 HD2 PRO 74 8.125 14.481 14.481 453 HA PRO 75 HA PRO 75 11.464 8.282 8.282 454 1HB PRO 75 HB2 PRO 75 9.843 6.375 6.375 455 2HB PRO 75 HB1 PRO 75 10.492 6.245 6.245 456 1HG PRO 75 HG2 PRO 75 7.752 6.705 6.705 457 2HG PRO 75 HG1 PRO 75 8.404 6.586 6.586 458 1HD PRO 75 HD1 PRO 75 7.480 8.953 8.953 459 2HD PRO 75 HD2 PRO 75 8.131 8.831 8.831 460 H LEU 76 HN LEU 76 12.884 8.382 8.382 461 HA LEU 76 HA LEU 76 12.154 9.686 9.686 462 1HB LEU 76 HB2 LEU 76 14.598 7.981 7.981 463 2HB LEU 76 HB1 LEU 76 14.430 9.188 9.188 464 HG LEU 76 HG LEU 76 14.408 9.685 9.685 465 1HD1 LEU 76 HD12 LEU 76 16.305 10.339 10.339 466 2HD1 LEU 76 HD11 LEU 76 16.348 11.208 11.208 467 3HD1 LEU 76 HD13 LEU 76 16.653 9.471 9.471 468 1HD2 LEU 76 HD21 LEU 76 13.972 11.611 11.611 469 2HD2 LEU 76 HD23 LEU 76 12.750 11.111 11.111 470 3HD2 LEU 76 HD22 LEU 76 14.134 12.068 12.068 471 HA PRO 77 HA PRO 77 10.298 5.990 5.990 472 1HB PRO 77 HB2 PRO 77 9.948 7.434 7.434 473 2HB PRO 77 HB1 PRO 77 8.719 7.020 7.020 474 1HG PRO 77 HG2 PRO 77 9.862 9.618 9.618 475 2HG PRO 77 HG1 PRO 77 8.623 9.206 9.206 476 1HD PRO 77 HD1 PRO 77 11.386 9.891 9.891 477 2HD PRO 77 HD2 PRO 77 10.143 9.478 9.478 478 H ARG 78 HN ARG 78 11.702 4.429 4.429 479 HA ARG 78 HA ARG 78 14.235 4.743 4.743 480 1HB ARG 78 HB2 ARG 78 12.701 2.585 2.585 481 2HB ARG 78 HB1 ARG 78 12.648 2.532 2.532 482 1HG ARG 78 HG2 ARG 78 14.592 1.330 1.330 483 2HG ARG 78 HG1 ARG 78 15.264 2.957 2.957 484 1HD ARG 78 HD2 ARG 78 14.641 2.901 2.901 485 2HD ARG 78 HD1 ARG 78 14.950 1.185 1.185 486 HE ARG 78 HE ARG 78 17.062 2.727 2.727 487 1HH1 ARG 78 HH21 ARG 78 15.706 1.741 1.741 488 2HH1 ARG 78 HH22 ARG 78 17.215 1.806 1.806 489 1HH2 ARG 78 HH11 ARG 78 19.035 2.816 2.816 490 2HH2 ARG 78 HH12 ARG 78 19.098 2.415 2.415 491 H ARG 79 HN ARG 79 15.073 4.744 4.744 492 HA ARG 79 HA ARG 79 13.595 6.378 6.378 493 1HB ARG 79 HB2 ARG 79 15.984 4.622 4.622 494 2HB ARG 79 HB1 ARG 79 15.462 6.062 6.062 495 1HG ARG 79 HG2 ARG 79 15.715 6.917 6.917 496 2HG ARG 79 HG1 ARG 79 17.103 5.857 5.857 497 1HD ARG 79 HD2 ARG 79 17.029 7.307 7.307 498 2HD ARG 79 HD1 ARG 79 16.536 8.502 8.502 499 HE ARG 79 HE ARG 79 19.191 7.358 7.358 500 1HH1 ARG 79 HH21 ARG 79 16.824 8.639 8.639 501 2HH1 ARG 79 HH22 ARG 79 17.990 9.157 9.157 502 1HH2 ARG 79 HH11 ARG 79 20.719 8.032 8.032 503 2HH2 ARG 79 HH12 ARG 79 20.191 8.813 8.813 Start of MODEL 4 1 1H THR 9 HT2 THR 9 14.084 27.121 27.121 2 2H THR 9 HT1 THR 9 13.459 28.430 28.430 3 3H THR 9 HT3 THR 9 15.134 28.297 28.297 4 HA THR 9 HA THR 9 15.040 29.010 29.010 5 HB THR 9 HB THR 9 12.461 30.326 30.326 6 HG1 THR 9 HG1 THR 9 14.835 30.601 30.601 7 1HG2 THR 9 HG22 THR 9 15.216 31.200 31.200 8 2HG2 THR 9 HG21 THR 9 13.923 32.337 32.337 9 3HG2 THR 9 HG23 THR 9 13.729 31.198 31.198 10 H PHE 10 HN PHE 10 14.361 26.700 26.700 11 HA PHE 10 HA PHE 10 11.587 26.722 26.722 12 1HB PHE 10 HB2 PHE 10 13.597 24.542 24.542 13 2HB PHE 10 HB1 PHE 10 12.258 24.270 24.270 14 HD1 PHE 10 HD2 PHE 10 12.311 26.323 26.323 15 HD2 PHE 10 HD1 PHE 10 10.809 22.813 22.813 16 HE1 PHE 10 HE2 PHE 10 10.803 25.944 25.944 17 HE2 PHE 10 HE1 PHE 10 9.294 22.446 22.446 18 HZ PHE 10 HZ PHE 10 9.295 24.004 24.004 19 H VAL 11 HN VAL 11 11.569 25.491 25.491 20 HA VAL 11 HA VAL 11 13.831 26.535 26.535 21 HB VAL 11 HB VAL 11 11.011 26.514 26.514 22 1HG1 VAL 11 HG12 VAL 11 12.967 26.866 26.866 23 2HG1 VAL 11 HG11 VAL 11 13.418 28.276 28.276 24 3HG1 VAL 11 HG13 VAL 11 11.900 28.270 28.270 25 1HG2 VAL 11 HG22 VAL 11 12.308 28.722 28.722 26 2HG2 VAL 11 HG21 VAL 11 10.902 27.773 27.773 27 3HG2 VAL 11 HG23 VAL 11 10.796 28.876 28.876 28 H ALA 12 HN ALA 12 14.204 25.314 25.314 29 HA ALA 12 HA ALA 12 13.419 22.480 22.480 30 1HB ALA 12 HB1 ALA 12 15.496 23.972 23.972 31 2HB ALA 12 HB3 ALA 12 15.004 22.372 22.372 32 3HB ALA 12 HB2 ALA 12 15.686 22.576 22.576 33 H LEU 13 HN LEU 13 11.267 22.389 22.389 34 HA LEU 13 HA LEU 13 10.276 23.711 23.711 35 1HB LEU 13 HB2 LEU 13 9.324 21.326 21.326 36 2HB LEU 13 HB1 LEU 13 8.462 21.895 21.895 37 HG LEU 13 HG LEU 13 9.053 23.479 23.479 38 1HD1 LEU 13 HD13 LEU 13 6.467 22.579 22.579 39 2HD1 LEU 13 HD12 LEU 13 6.581 23.581 23.581 40 3HD1 LEU 13 HD11 LEU 13 7.159 21.915 21.915 41 1HD2 LEU 13 HD22 LEU 13 8.350 24.298 24.298 42 2HD2 LEU 13 HD21 LEU 13 9.130 25.222 25.222 43 3HD2 LEU 13 HD23 LEU 13 7.377 25.032 25.032 44 H TYR 14 HN TYR 14 11.600 20.451 20.451 45 HA TYR 14 HA TYR 14 11.775 20.189 20.189 46 1HB TYR 14 HB2 TYR 14 11.185 18.069 18.069 47 2HB TYR 14 HB1 TYR 14 11.590 17.703 17.703 48 HD1 TYR 14 HD1 TYR 14 9.375 20.136 20.136 49 HD2 TYR 14 HD2 TYR 14 9.732 17.322 17.322 50 HE1 TYR 14 HE1 TYR 14 7.078 20.624 20.624 51 HE2 TYR 14 HE2 TYR 14 7.415 17.774 17.774 52 HH TYR 14 HH TYR 14 5.358 18.653 18.653 53 H ASP 15 HN ASP 15 13.774 19.562 19.562 54 HA ASP 15 HA ASP 15 16.131 19.997 19.997 55 1HB ASP 15 HB2 ASP 15 15.950 17.875 17.875 56 2HB ASP 15 HB1 ASP 15 17.296 18.959 18.959 57 H TYR 16 HN TYR 16 17.827 18.038 18.038 58 HA TYR 16 HA TYR 16 16.571 15.613 15.613 59 1HB TYR 16 HB2 TYR 16 16.350 17.115 17.115 60 2HB TYR 16 HB1 TYR 16 18.052 17.562 17.562 61 HD1 TYR 16 HD1 TYR 16 15.932 14.480 14.480 62 HD2 TYR 16 HD2 TYR 16 19.570 16.394 16.394 63 HE1 TYR 16 HE1 TYR 16 16.532 12.550 12.550 64 HE2 TYR 16 HE2 TYR 16 20.172 14.461 14.461 65 HH TYR 16 HH TYR 16 18.476 12.483 12.483 66 H GLU 17 HN GLU 17 17.884 14.012 14.012 67 HA GLU 17 HA GLU 17 20.795 14.612 14.612 68 1HB GLU 17 HB2 GLU 17 20.555 12.358 12.358 69 2HB GLU 17 HB1 GLU 17 20.153 13.920 13.920 70 1HG GLU 17 HG2 GLU 17 18.052 12.345 12.345 71 2HG GLU 17 HG1 GLU 17 18.430 11.964 11.964 72 H SER 18 HN SER 18 21.252 14.143 14.143 73 HA SER 18 HA SER 18 20.493 12.000 12.000 74 1HB SER 18 HB2 SER 18 23.420 12.454 12.454 75 2HB SER 18 HB1 SER 18 22.284 12.524 12.524 76 HG SER 18 HG SER 18 23.185 14.510 14.510 77 H ARG 19 HN ARG 19 21.724 9.934 9.934 78 HA ARG 19 HA ARG 19 22.748 8.731 8.731 79 1HB ARG 19 HB2 ARG 19 20.503 7.961 7.961 80 2HB ARG 19 HB1 ARG 19 21.727 6.695 6.695 81 1HG ARG 19 HG2 ARG 19 21.879 7.042 7.042 82 2HG ARG 19 HG1 ARG 19 20.269 7.734 7.734 83 1HD ARG 19 HD2 ARG 19 21.176 4.948 4.948 84 2HD ARG 19 HD1 ARG 19 19.987 5.382 5.382 85 HE ARG 19 HE ARG 19 18.927 6.464 6.464 86 1HH1 ARG 19 HH21 ARG 19 20.169 3.374 3.374 87 2HH1 ARG 19 HH22 ARG 19 19.125 2.496 2.496 88 1HH2 ARG 19 HH11 ARG 19 17.565 5.328 5.328 89 2HH2 ARG 19 HH12 ARG 19 17.653 3.600 3.600 90 H THR 20 HN THR 20 22.978 8.880 8.880 91 HA THR 20 HA THR 20 25.429 7.192 7.192 92 HB THR 20 HB THR 20 24.693 8.107 8.107 93 HG1 THR 20 HG1 THR 20 22.729 6.668 6.668 94 1HG2 THR 20 HG23 THR 20 25.852 5.912 5.912 95 2HG2 THR 20 HG22 THR 20 24.252 5.295 5.295 96 3HG2 THR 20 HG21 THR 20 25.280 5.973 5.973 97 H GLU 21 HN GLU 21 27.071 8.076 8.076 98 HA GLU 21 HA GLU 21 27.799 10.786 10.786 99 1HB GLU 21 HB2 GLU 21 29.221 8.466 8.466 100 2HB GLU 21 HB1 GLU 21 29.637 9.846 9.846 101 1HG GLU 21 HG2 GLU 21 30.605 11.010 11.010 102 2HG GLU 21 HG1 GLU 21 29.537 10.300 10.300 103 H THR 22 HN THR 22 25.496 10.833 10.833 104 HA THR 22 HA THR 22 26.528 12.148 12.148 105 HB THR 22 HB THR 22 23.921 10.617 10.617 106 HG1 THR 22 HG1 THR 22 26.232 9.744 9.744 107 1HG2 THR 22 HG21 THR 22 24.604 12.532 12.532 108 2HG2 THR 22 HG23 THR 22 25.392 11.160 11.160 109 3HG2 THR 22 HG22 THR 22 23.656 11.121 11.121 110 H ASP 23 HN ASP 23 23.387 11.783 11.783 111 HA ASP 23 HA ASP 23 22.672 14.541 14.541 112 1HB ASP 23 HB2 ASP 23 21.305 13.001 13.001 113 2HB ASP 23 HB1 ASP 23 20.611 14.026 14.026 114 H LEU 24 HN LEU 24 22.873 16.316 16.316 115 HA LEU 24 HA LEU 24 24.615 15.989 15.989 116 1HB LEU 24 HB2 LEU 24 23.467 18.576 18.576 117 2HB LEU 24 HB1 LEU 24 24.918 18.353 18.353 118 HG LEU 24 HG LEU 24 25.042 16.779 16.779 119 1HD1 LEU 24 HD11 LEU 24 24.757 19.787 19.787 120 2HD1 LEU 24 HD13 LEU 24 25.244 18.680 18.680 121 3HD1 LEU 24 HD12 LEU 24 23.616 18.590 18.590 122 1HD2 LEU 24 HD23 LEU 24 26.897 17.517 17.517 123 2HD2 LEU 24 HD22 LEU 24 27.230 17.735 17.735 124 3HD2 LEU 24 HD21 LEU 24 26.756 19.116 19.116 125 H SER 25 HN SER 25 23.976 17.271 17.271 126 HA SER 25 HA SER 25 21.098 16.761 16.761 127 1HB SER 25 HB2 SER 25 22.532 17.562 17.562 128 2HB SER 25 HB1 SER 25 21.874 15.972 15.972 129 HG SER 25 HG SER 25 24.406 16.687 16.687 130 H PHE 26 HN PHE 26 19.738 18.433 18.433 131 HA PHE 26 HA PHE 26 20.953 21.131 21.131 132 1HB PHE 26 HB2 PHE 26 19.255 22.132 22.132 133 2HB PHE 26 HB1 PHE 26 20.204 20.942 20.942 134 HD1 PHE 26 HD2 PHE 26 16.958 21.573 21.573 135 HD2 PHE 26 HD1 PHE 26 19.173 18.903 18.903 136 HE1 PHE 26 HE2 PHE 26 14.888 20.362 20.362 137 HE2 PHE 26 HE1 PHE 26 17.103 17.702 17.702 138 HZ PHE 26 HZ PHE 26 14.961 18.431 18.431 139 H LYS 27 HN LYS 27 20.075 22.200 22.200 140 HA LYS 27 HA LYS 27 17.950 20.905 20.905 141 1HB LYS 27 HB2 LYS 27 19.353 23.560 23.560 142 2HB LYS 27 HB1 LYS 27 18.318 22.738 22.738 143 1HG LYS 27 HG2 LYS 27 20.074 20.743 20.743 144 2HG LYS 27 HG1 LYS 27 21.111 22.162 22.162 145 1HD LYS 27 HD2 LYS 27 20.799 22.786 22.786 146 2HD LYS 27 HD1 LYS 27 19.316 21.845 21.845 147 1HE LYS 27 HE2 LYS 27 22.163 20.836 20.836 148 2HE LYS 27 HE1 LYS 27 20.964 20.585 20.585 149 1HZ LYS 27 HZ3 LYS 27 19.669 19.535 19.535 150 2HZ LYS 27 HZ2 LYS 27 21.254 19.251 19.251 151 3HZ LYS 27 HZ1 LYS 27 20.742 18.628 18.628 152 H LYS 28 HN LYS 28 16.407 22.888 22.888 153 HA LYS 28 HA LYS 28 14.692 23.552 23.552 154 1HB LYS 28 HB2 LYS 28 13.571 22.869 22.869 155 2HB LYS 28 HB1 LYS 28 14.474 24.029 24.029 156 1HG LYS 28 HG2 LYS 28 13.411 25.871 25.871 157 2HG LYS 28 HG1 LYS 28 12.385 24.642 24.642 158 1HD LYS 28 HD2 LYS 28 11.650 23.981 23.981 159 2HD LYS 28 HD1 LYS 28 12.520 25.391 25.391 160 1HE LYS 28 HE2 LYS 28 10.314 26.183 26.183 161 2HE LYS 28 HE1 LYS 28 11.138 26.727 26.727 162 1HZ LYS 28 HZ2 LYS 28 9.602 24.197 24.197 163 2HZ LYS 28 HZ1 LYS 28 8.965 25.648 25.648 164 3HZ LYS 28 HZ3 LYS 28 10.258 24.890 24.890 165 H GLY 29 HN GLY 29 14.279 25.636 25.636 166 1HA GLY 29 HA2 GLY 29 14.449 28.049 28.049 167 2HA GLY 29 HA1 GLY 29 15.741 27.905 27.905 168 H GLU 30 HN GLU 30 16.809 25.637 25.637 169 HA GLU 30 HA GLU 30 18.636 27.373 27.373 170 1HB GLU 30 HB2 GLU 30 19.386 25.229 25.229 171 2HB GLU 30 HB1 GLU 30 18.322 24.356 24.356 172 1HG GLU 30 HG2 GLU 30 19.638 24.808 24.808 173 2HG GLU 30 HG1 GLU 30 20.252 26.317 26.317 174 H ARG 31 HN ARG 31 18.356 28.071 28.071 175 HA ARG 31 HA ARG 31 16.022 27.099 27.099 176 1HB ARG 31 HB2 ARG 31 18.040 29.166 29.166 177 2HB ARG 31 HB1 ARG 31 16.368 28.979 28.979 178 1HG ARG 31 HG2 ARG 31 15.605 29.543 29.543 179 2HG ARG 31 HG1 ARG 31 17.283 29.791 29.791 180 1HD ARG 31 HD2 ARG 31 16.926 31.949 31.949 181 2HD ARG 31 HD1 ARG 31 17.112 31.341 31.341 182 HE ARG 31 HE ARG 31 14.382 31.072 31.072 183 1HH1 ARG 31 HH21 ARG 31 16.761 33.223 33.223 184 2HH1 ARG 31 HH22 ARG 31 15.598 34.277 34.277 185 1HH2 ARG 31 HH11 ARG 31 12.858 32.442 32.442 186 2HH2 ARG 31 HH12 ARG 31 13.393 33.837 33.837 187 H LEU 32 HN LEU 32 16.220 26.224 26.224 188 HA LEU 32 HA LEU 32 18.950 25.346 25.346 189 1HB LEU 32 HB2 LEU 32 16.529 23.531 23.531 190 2HB LEU 32 HB1 LEU 32 18.082 23.067 23.067 191 HG LEU 32 HG LEU 32 18.621 24.238 24.238 192 1HD1 LEU 32 HD12 LEU 32 16.309 22.288 22.288 193 2HD1 LEU 32 HD11 LEU 32 17.332 22.516 22.516 194 3HD1 LEU 32 HD13 LEU 32 16.390 23.865 23.865 195 1HD2 LEU 32 HD22 LEU 32 19.823 22.400 22.400 196 2HD2 LEU 32 HD21 LEU 32 19.632 22.107 22.107 197 3HD2 LEU 32 HD23 LEU 32 18.573 21.296 21.296 198 H GLN 33 HN GLN 33 19.049 24.742 24.742 199 HA GLN 33 HA GLN 33 16.879 26.076 26.076 200 1HB GLN 33 HB2 GLN 33 19.267 26.973 26.973 201 2HB GLN 33 HB1 GLN 33 19.681 25.477 25.477 202 1HG GLN 33 HG2 GLN 33 17.602 26.092 26.092 203 2HG GLN 33 HG1 GLN 33 17.900 27.722 27.722 204 1HE2 GLN 33 HE22 GLN 33 21.272 27.749 27.749 205 2HE2 GLN 33 HE21 GLN 33 20.568 28.072 28.072 206 H ILE 34 HN ILE 34 15.491 24.366 24.366 207 HA ILE 34 HA ILE 34 15.996 21.687 21.687 208 HB ILE 34 HB ILE 34 14.133 23.344 23.344 209 1HG1 ILE 34 HG12 ILE 34 13.637 23.878 23.878 210 2HG1 ILE 34 HG11 ILE 34 12.453 22.667 22.667 211 1HG2 ILE 34 HG22 ILE 34 14.337 20.416 20.416 212 2HG2 ILE 34 HG21 ILE 34 12.811 21.125 21.125 213 3HG2 ILE 34 HG23 ILE 34 14.214 21.147 21.147 214 1HD1 ILE 34 HD12 ILE 34 14.432 21.046 21.046 215 2HD1 ILE 34 HD11 ILE 34 14.692 22.447 22.447 216 3HD1 ILE 34 HD13 ILE 34 13.127 21.633 21.633 217 H VAL 35 HN VAL 35 16.522 20.384 20.384 218 HA VAL 35 HA VAL 35 18.179 21.848 21.848 219 HB VAL 35 HB VAL 35 18.174 18.949 18.949 220 1HG1 VAL 35 HG13 VAL 35 19.384 20.334 20.334 221 2HG1 VAL 35 HG12 VAL 35 20.360 19.118 19.118 222 3HG1 VAL 35 HG11 VAL 35 18.793 18.679 18.679 223 1HG2 VAL 35 HG23 VAL 35 19.360 21.151 21.151 224 2HG2 VAL 35 HG22 VAL 35 19.951 19.497 19.497 225 3HG2 VAL 35 HG21 VAL 35 20.636 20.563 20.563 226 H ASN 36 HN ASN 36 15.727 19.279 19.279 227 HA ASN 36 HA ASN 36 14.492 20.130 20.130 228 1HB ASN 36 HB2 ASN 36 16.682 18.404 18.404 229 2HB ASN 36 HB1 ASN 36 15.269 17.360 17.360 230 1HD2 ASN 36 HD22 ASN 36 16.238 19.715 19.715 231 2HD2 ASN 36 HD21 ASN 36 17.281 19.399 19.399 232 H ASN 37 HN ASN 37 14.909 16.991 16.991 233 HA ASN 37 HA ASN 37 12.353 15.979 15.979 234 1HB ASN 37 HB2 ASN 37 14.274 15.914 15.914 235 2HB ASN 37 HB1 ASN 37 12.736 15.056 15.056 236 1HD2 ASN 37 HD22 ASN 37 14.811 13.765 13.765 237 2HD2 ASN 37 HD21 ASN 37 14.254 15.363 15.363 238 H THR 38 HN THR 38 10.376 16.765 16.765 239 HA THR 38 HA THR 38 10.095 18.505 18.505 240 HB THR 38 HB THR 38 10.221 20.092 20.092 241 HG1 THR 38 HG1 THR 38 7.784 20.560 20.560 242 1HG2 THR 38 HG23 THR 38 9.294 17.972 17.972 243 2HG2 THR 38 HG22 THR 38 7.968 19.134 19.134 244 3HG2 THR 38 HG21 THR 38 9.581 19.620 19.620 245 H GLU 39 HN GLU 39 9.241 15.714 15.714 246 HA GLU 39 HA GLU 39 6.412 15.648 15.648 247 1HB GLU 39 HB2 GLU 39 8.579 13.722 13.722 248 2HB GLU 39 HB1 GLU 39 7.206 13.201 13.201 249 1HG GLU 39 HG2 GLU 39 5.747 13.787 13.787 250 2HG GLU 39 HG1 GLU 39 7.253 13.871 13.871 251 H GLY 40 HN GLY 40 7.992 13.946 13.946 252 1HA GLY 40 HA2 GLY 40 7.292 15.550 15.550 253 2HA GLY 40 HA1 GLY 40 5.846 14.612 14.612 254 H ASP 41 HN ASP 41 9.171 13.484 13.484 255 HA ASP 41 HA ASP 41 8.728 11.596 11.596 256 1HB ASP 41 HB2 ASP 41 10.289 10.710 10.710 257 2HB ASP 41 HB1 ASP 41 9.358 9.747 9.747 258 H TRP 42 HN TRP 42 11.426 12.175 12.175 259 HA TRP 42 HA TRP 42 13.049 13.197 13.197 260 1HB TRP 42 HB2 TRP 42 13.638 10.732 10.732 261 2HB TRP 42 HB1 TRP 42 14.935 11.649 11.649 262 HD1 TRP 42 HD1 TRP 42 12.048 9.268 9.268 263 HE1 TRP 42 HE1 TRP 42 12.170 8.810 8.810 264 HE3 TRP 42 HE3 TRP 42 15.517 12.585 12.585 265 HZ2 TRP 42 HZ2 TRP 42 13.652 9.802 9.802 266 HZ3 TRP 42 HZ3 TRP 42 16.316 12.865 12.865 267 HH2 TRP 42 HH2 TRP 42 15.382 11.472 11.472 268 H TRP 43 HN TRP 43 13.628 15.156 15.156 269 HA TRP 43 HA TRP 43 14.403 15.313 15.313 270 1HB TRP 43 HB2 TRP 43 13.749 17.598 17.598 271 2HB TRP 43 HB1 TRP 43 13.900 17.666 17.666 272 HD1 TRP 43 HD1 TRP 43 12.227 14.663 14.663 273 HE1 TRP 43 HE1 TRP 43 9.721 14.958 14.958 274 HE3 TRP 43 HE3 TRP 43 12.045 19.239 19.239 275 HZ2 TRP 43 HZ2 TRP 43 7.769 16.994 16.994 276 HZ3 TRP 43 HZ3 TRP 43 9.922 20.380 20.380 277 HH2 TRP 43 HH2 TRP 43 7.784 19.258 19.258 278 H LEU 44 HN LEU 44 16.225 16.813 16.813 279 HA LEU 44 HA LEU 44 18.315 16.638 16.638 280 1HB LEU 44 HB2 LEU 44 18.760 15.305 15.305 281 2HB LEU 44 HB1 LEU 44 18.679 16.792 16.792 282 HG LEU 44 HG LEU 44 20.477 17.622 17.622 283 1HD1 LEU 44 HD11 LEU 44 20.108 15.161 15.161 284 2HD1 LEU 44 HD13 LEU 44 21.400 14.796 14.796 285 3HD1 LEU 44 HD12 LEU 44 21.647 16.013 16.013 286 1HD2 LEU 44 HD21 LEU 44 20.617 16.202 16.202 287 2HD2 LEU 44 HD23 LEU 44 21.464 17.659 17.659 288 3HD2 LEU 44 HD22 LEU 44 22.107 16.070 16.070 289 H ALA 45 HN ALA 45 18.734 18.602 18.602 290 HA ALA 45 HA ALA 45 18.389 21.011 21.011 291 1HB ALA 45 HB2 ALA 45 17.141 20.454 20.454 292 2HB ALA 45 HB1 ALA 45 18.482 21.494 21.494 293 3HB ALA 45 HB3 ALA 45 17.314 22.057 22.057 294 H HIS 46 HN HIS 46 19.861 22.858 22.858 295 HA HIS 46 HA HIS 46 22.548 21.766 21.766 296 1HB HIS 46 HB2 HIS 46 22.846 22.582 22.582 297 2HB HIS 46 HB1 HIS 46 21.623 23.833 23.833 298 HD1 HIS 46 HD1 HIS 46 25.147 23.167 23.167 299 HD2 HIS 46 HD2 HIS 46 22.553 26.299 26.299 300 HE1 HIS 46 HE1 HIS 46 26.493 25.139 25.139 301 H SER 47 HN SER 47 23.301 22.438 22.438 302 HA SER 47 HA SER 47 21.896 24.378 24.378 303 1HB SER 47 HB2 SER 47 24.677 23.210 23.210 304 2HB SER 47 HB1 SER 47 23.796 24.107 24.107 305 HG SER 47 HG SER 47 22.740 21.811 21.811 306 H LEU 48 HN LEU 48 22.475 26.528 26.528 307 HA LEU 48 HA LEU 48 24.316 27.775 27.775 308 1HB LEU 48 HB2 LEU 48 22.268 29.017 29.017 309 2HB LEU 48 HB1 LEU 48 23.239 29.900 29.900 310 HG LEU 48 HG LEU 48 21.579 27.555 27.555 311 1HD1 LEU 48 HD13 LEU 48 20.617 30.161 30.161 312 2HD1 LEU 48 HD12 LEU 48 20.016 29.725 29.725 313 3HD1 LEU 48 HD11 LEU 48 19.738 28.650 28.650 314 1HD2 LEU 48 HD23 LEU 48 23.024 29.855 29.855 315 2HD2 LEU 48 HD22 LEU 48 22.740 28.243 28.243 316 3HD2 LEU 48 HD21 LEU 48 21.473 29.467 29.467 317 H THR 49 HN THR 49 24.315 26.722 26.722 318 HA THR 49 HA THR 49 25.846 28.830 28.830 319 HB THR 49 HB THR 49 25.655 25.880 25.880 320 HG1 THR 49 HG1 THR 49 23.803 26.465 26.465 321 1HG2 THR 49 HG22 THR 49 27.527 27.718 27.718 322 2HG2 THR 49 HG21 THR 49 26.272 27.768 27.768 323 3HG2 THR 49 HG23 THR 49 27.051 26.238 26.238 324 H THR 50 HN THR 50 27.052 25.532 25.532 325 HA THR 50 HA THR 50 29.749 26.660 26.660 326 HB THR 50 HB THR 50 29.874 23.934 23.934 327 HG1 THR 50 HG1 THR 50 28.103 24.371 24.371 328 1HG2 THR 50 HG21 THR 50 30.183 25.459 25.459 329 2HG2 THR 50 HG23 THR 50 30.747 23.807 23.807 330 3HG2 THR 50 HG22 THR 50 31.443 25.125 25.125 331 H GLY 51 HN GLY 51 27.891 24.222 24.222 332 1HA GLY 51 HA2 GLY 51 27.401 25.174 25.174 333 2HA GLY 51 HA1 GLY 51 29.158 25.312 25.312 334 H GLN 52 HN GLN 52 26.656 22.873 22.873 335 HA GLN 52 HA GLN 52 28.156 20.926 20.926 336 1HB GLN 52 HB2 GLN 52 27.168 20.223 20.223 337 2HB GLN 52 HB1 GLN 52 28.160 19.233 19.233 338 1HG GLN 52 HG2 GLN 52 29.687 21.485 21.485 339 2HG GLN 52 HG1 GLN 52 28.945 21.477 21.477 340 1HE2 GLN 52 HE22 GLN 52 31.468 19.201 19.201 341 2HE2 GLN 52 HE21 GLN 52 30.742 20.715 20.715 342 H THR 53 HN THR 53 26.733 18.807 18.807 343 HA THR 53 HA THR 53 23.901 19.696 19.696 344 HB THR 53 HB THR 53 25.519 17.556 17.556 345 HG1 THR 53 HG1 THR 53 24.138 19.686 19.686 346 1HG2 THR 53 HG23 THR 53 22.609 17.975 17.975 347 2HG2 THR 53 HG22 THR 53 23.175 17.765 17.765 348 3HG2 THR 53 HG21 THR 53 23.500 16.520 16.520 349 H GLY 54 HN GLY 54 22.235 18.228 18.228 350 1HA GLY 54 HA2 GLY 54 22.977 15.739 15.739 351 2HA GLY 54 HA1 GLY 54 22.440 17.011 17.011 352 H TYR 55 HN TYR 55 21.212 14.365 14.365 353 HA TYR 55 HA TYR 55 18.773 15.223 15.223 354 1HB TYR 55 HB2 TYR 55 19.908 12.634 12.634 355 2HB TYR 55 HB1 TYR 55 18.164 12.735 12.735 356 HD1 TYR 55 HD2 TYR 55 17.251 13.335 13.335 357 HD2 TYR 55 HD1 TYR 55 21.403 12.628 12.628 358 HE1 TYR 55 HE2 TYR 55 17.559 13.100 13.100 359 HE2 TYR 55 HE1 TYR 55 21.710 12.388 12.388 360 HH TYR 55 HH TYR 55 20.143 11.707 11.707 361 H ILE 56 HN ILE 56 17.678 16.643 16.643 362 HA ILE 56 HA ILE 56 17.201 15.822 15.822 363 HB ILE 56 HB ILE 56 16.124 17.994 17.994 364 1HG1 ILE 56 HG12 ILE 56 16.290 19.423 19.423 365 2HG1 ILE 56 HG11 ILE 56 16.104 17.830 17.830 366 1HG2 ILE 56 HG21 ILE 56 18.704 17.718 17.718 367 2HG2 ILE 56 HG23 ILE 56 18.483 18.492 18.492 368 3HG2 ILE 56 HG22 ILE 56 18.028 19.345 19.345 369 1HD1 ILE 56 HD13 ILE 56 14.258 18.223 18.223 370 2HD1 ILE 56 HD12 ILE 56 14.045 19.444 19.444 371 3HD1 ILE 56 HD11 ILE 56 13.919 17.732 17.732 372 HA PRO 57 HA PRO 57 13.404 13.777 13.777 373 1HB PRO 57 HB2 PRO 57 12.222 14.613 14.613 374 2HB PRO 57 HB1 PRO 57 12.986 13.063 13.063 375 1HG PRO 57 HG2 PRO 57 14.011 15.211 15.211 376 2HG PRO 57 HG1 PRO 57 14.746 13.635 13.635 377 1HD PRO 57 HD1 PRO 57 15.572 16.199 16.199 378 2HD PRO 57 HD2 PRO 57 16.289 14.611 14.611 379 H SER 58 HN SER 58 11.113 14.304 14.304 380 HA SER 58 HA SER 58 10.755 17.161 17.161 381 1HB SER 58 HB2 SER 58 8.447 16.007 16.007 382 2HB SER 58 HB1 SER 58 9.910 16.001 16.001 383 HG SER 58 HG SER 58 8.715 13.956 13.956 384 H ASN 59 HN ASN 59 9.973 15.040 15.040 385 HA ASN 59 HA ASN 59 7.521 16.478 16.478 386 1HB ASN 59 HB2 ASN 59 7.635 14.913 14.913 387 2HB ASN 59 HB1 ASN 59 7.539 14.103 14.103 388 1HD2 ASN 59 HD21 ASN 59 8.625 12.205 12.205 389 2HD2 ASN 59 HD22 ASN 59 10.303 12.234 12.234 390 H TYR 60 HN TYR 60 10.843 16.940 16.940 391 HA TYR 60 HA TYR 60 10.470 18.404 18.404 392 1HB TYR 60 HB2 TYR 60 12.963 17.365 17.365 393 2HB TYR 60 HB1 TYR 60 12.997 18.396 18.396 394 HD1 TYR 60 HD2 TYR 60 10.090 16.626 16.626 395 HD2 TYR 60 HD1 TYR 60 14.291 15.953 15.953 396 HE1 TYR 60 HE2 TYR 60 9.768 14.658 14.658 397 HE2 TYR 60 HE1 TYR 60 13.965 13.985 13.985 398 HH TYR 60 HH TYR 60 10.938 13.269 13.269 399 H VAL 61 HN VAL 61 9.979 19.209 19.209 400 HA VAL 61 HA VAL 61 11.292 21.865 21.865 401 HB VAL 61 HB VAL 61 12.708 20.746 20.746 402 1HG1 VAL 61 HG13 VAL 61 10.351 19.330 19.330 403 2HG1 VAL 61 HG12 VAL 61 10.827 20.180 20.180 404 3HG1 VAL 61 HG11 VAL 61 11.959 19.081 19.081 405 1HG2 VAL 61 HG22 VAL 61 12.005 23.075 23.075 406 2HG2 VAL 61 HG21 VAL 61 12.431 22.115 22.115 407 3HG2 VAL 61 HG23 VAL 61 10.738 22.399 22.399 408 H ALA 62 HN ALA 62 10.278 23.495 23.495 409 HA ALA 62 HA ALA 62 7.724 22.982 22.982 410 1HB ALA 62 HB2 ALA 62 7.669 24.296 24.296 411 2HB ALA 62 HB1 ALA 62 6.294 24.171 24.171 412 3HB ALA 62 HB3 ALA 62 7.000 22.714 22.714 413 HA PRO 63 HA PRO 63 8.905 26.798 26.798 414 1HB PRO 63 HB2 PRO 63 6.190 27.453 27.453 415 2HB PRO 63 HB1 PRO 63 7.450 26.790 26.790 416 1HG PRO 63 HG2 PRO 63 5.128 25.432 25.432 417 2HG PRO 63 HG1 PRO 63 6.397 24.763 24.763 418 1HD PRO 63 HD1 PRO 63 5.941 24.256 24.256 419 2HD PRO 63 HD2 PRO 63 7.196 23.563 23.563 420 H SER 64 HN SER 64 9.174 28.822 28.822 421 HA SER 64 HA SER 64 7.092 30.319 30.319 422 1HB SER 64 HB2 SER 64 7.896 28.325 28.325 423 2HB SER 64 HB1 SER 64 9.064 29.573 29.573 424 HG SER 64 HG SER 64 6.343 30.213 30.213 425 1H ALA 71 HT3 ALA 71 15.849 17.183 17.183 426 2H ALA 71 HT2 ALA 71 15.517 18.846 18.846 427 3H ALA 71 HT1 ALA 71 15.462 17.883 17.883 428 HA ALA 71 HA ALA 71 13.296 17.645 17.645 429 1HB ALA 71 HB3 ALA 71 13.851 18.769 18.769 430 2HB ALA 71 HB2 ALA 71 12.238 18.464 18.464 431 3HB ALA 71 HB1 ALA 71 13.277 19.667 19.667 432 H PHE 72 HN PHE 72 11.998 15.890 15.890 433 HA PHE 72 HA PHE 72 13.386 13.749 13.749 434 1HB PHE 72 HB2 PHE 72 12.314 13.015 13.015 435 2HB PHE 72 HB1 PHE 72 10.822 13.866 13.866 436 HD1 PHE 72 HD1 PHE 72 12.905 10.918 10.918 437 HD2 PHE 72 HD2 PHE 72 9.269 12.947 12.947 438 HE1 PHE 72 HE1 PHE 72 12.074 8.920 8.920 439 HE2 PHE 72 HE2 PHE 72 8.445 10.948 10.948 440 HZ PHE 72 HZ PHE 72 9.846 8.933 8.933 441 H ALA 73 HN ALA 73 13.181 13.800 13.800 442 HA ALA 73 HA ALA 73 10.767 14.982 14.982 443 1HB ALA 73 HB3 ALA 73 13.491 14.664 14.664 444 2HB ALA 73 HB2 ALA 73 12.505 13.767 13.767 445 3HB ALA 73 HB1 ALA 73 12.202 15.483 15.483 446 HA PRO 74 HA PRO 74 8.574 11.286 11.286 447 1HB PRO 74 HB2 PRO 74 8.084 11.857 11.857 448 2HB PRO 74 HB1 PRO 74 6.968 12.009 12.009 449 1HG PRO 74 HG2 PRO 74 8.228 14.138 14.138 450 2HG PRO 74 HG1 PRO 74 7.192 14.283 14.283 451 1HD PRO 74 HD1 PRO 74 10.058 14.670 14.670 452 2HD PRO 74 HD2 PRO 74 9.005 14.888 14.888 453 HA PRO 75 HA PRO 75 11.267 8.324 8.324 454 1HB PRO 75 HB2 PRO 75 9.217 6.774 6.774 455 2HB PRO 75 HB1 PRO 75 10.015 6.450 6.450 456 1HG PRO 75 HG2 PRO 75 7.312 7.392 7.392 457 2HG PRO 75 HG1 PRO 75 8.090 7.013 7.013 458 1HD PRO 75 HD1 PRO 75 7.435 9.613 9.613 459 2HD PRO 75 HD2 PRO 75 8.271 9.235 9.235 460 H LEU 76 HN LEU 76 12.485 8.845 8.845 461 HA LEU 76 HA LEU 76 11.468 10.160 10.160 462 1HB LEU 76 HB2 LEU 76 14.032 8.694 8.694 463 2HB LEU 76 HB1 LEU 76 13.715 9.322 9.322 464 HG LEU 76 HG LEU 76 13.648 10.964 10.964 465 1HD1 LEU 76 HD12 LEU 76 15.719 10.603 10.603 466 2HD1 LEU 76 HD11 LEU 76 15.678 12.045 12.045 467 3HD1 LEU 76 HD13 LEU 76 15.930 10.460 10.460 468 1HD2 LEU 76 HD21 LEU 76 13.049 11.514 11.514 469 2HD2 LEU 76 HD23 LEU 76 12.220 12.099 12.099 470 3HD2 LEU 76 HD22 LEU 76 13.774 12.793 12.793 471 HA PRO 77 HA PRO 77 9.597 6.795 6.795 472 1HB PRO 77 HB2 PRO 77 10.099 7.999 7.999 473 2HB PRO 77 HB1 PRO 77 8.592 8.009 8.009 474 1HG PRO 77 HG2 PRO 77 10.416 10.208 10.208 475 2HG PRO 77 HG1 PRO 77 8.899 10.224 10.224 476 1HD PRO 77 HD1 PRO 77 11.588 10.326 10.326 477 2HD PRO 77 HD2 PRO 77 10.064 10.352 10.352 478 H ARG 78 HN ARG 78 10.208 5.336 5.336 479 HA ARG 78 HA ARG 78 13.054 4.657 4.657 480 1HB ARG 78 HB2 ARG 78 12.448 2.551 2.551 481 2HB ARG 78 HB1 ARG 78 10.819 3.112 3.112 482 1HG ARG 78 HG2 ARG 78 10.689 3.870 3.870 483 2HG ARG 78 HG1 ARG 78 12.179 2.963 2.963 484 1HD ARG 78 HD2 ARG 78 10.418 1.265 1.265 485 2HD ARG 78 HD1 ARG 78 9.484 1.974 1.974 486 HE ARG 78 HE ARG 78 10.820 0.773 0.773 487 1HH1 ARG 78 HH21 ARG 78 12.175 0.780 0.780 488 2HH1 ARG 78 HH22 ARG 78 13.382 -0.403 -0.403 489 1HH2 ARG 78 HH11 ARG 78 12.394 -0.765 -0.765 490 2HH2 ARG 78 HH12 ARG 78 13.508 -1.273 -1.273 491 H ARG 79 HN ARG 79 14.608 4.955 4.955 492 HA ARG 79 HA ARG 79 14.394 6.996 6.996 493 1HB ARG 79 HB2 ARG 79 16.305 4.964 4.964 494 2HB ARG 79 HB1 ARG 79 16.130 5.020 5.020 495 1HG ARG 79 HG2 ARG 79 16.180 7.687 7.687 496 2HG ARG 79 HG1 ARG 79 17.259 7.032 7.032 497 1HD ARG 79 HD2 ARG 79 18.736 6.129 6.129 498 2HD ARG 79 HD1 ARG 79 17.529 6.214 6.214 499 HE ARG 79 HE ARG 79 18.215 8.430 8.430 500 1HH1 ARG 79 HH21 ARG 79 19.095 7.367 7.367 501 2HH1 ARG 79 HH22 ARG 79 19.968 8.812 8.812 502 1HH2 ARG 79 HH11 ARG 79 19.356 10.316 10.316 503 2HH2 ARG 79 HH12 ARG 79 20.115 10.478 10.478 Start of MODEL 5 1 1H THR 9 HT2 THR 9 11.077 29.335 29.335 2 2H THR 9 HT1 THR 9 11.929 30.793 30.793 3 3H THR 9 HT3 THR 9 12.268 29.480 29.480 4 HA THR 9 HA THR 9 13.831 28.796 28.796 5 HB THR 9 HB THR 9 12.839 30.803 30.803 6 HG1 THR 9 HG1 THR 9 14.691 31.958 31.958 7 1HG2 THR 9 HG23 THR 9 14.588 29.201 29.201 8 2HG2 THR 9 HG22 THR 9 15.594 29.715 29.715 9 3HG2 THR 9 HG21 THR 9 15.203 30.853 30.853 10 H PHE 10 HN PHE 10 14.111 27.300 27.300 11 HA PHE 10 HA PHE 10 11.535 26.438 26.438 12 1HB PHE 10 HB2 PHE 10 13.912 24.936 24.936 13 2HB PHE 10 HB1 PHE 10 12.981 24.240 24.240 14 HD1 PHE 10 HD1 PHE 10 11.946 26.245 26.245 15 HD2 PHE 10 HD2 PHE 10 11.586 22.564 22.564 16 HE1 PHE 10 HE1 PHE 10 10.239 25.492 25.492 17 HE2 PHE 10 HE2 PHE 10 9.880 21.816 21.816 18 HZ PHE 10 HZ PHE 10 9.205 23.277 23.277 19 H VAL 11 HN VAL 11 11.585 25.843 25.843 20 HA VAL 11 HA VAL 11 14.073 26.632 26.632 21 HB VAL 11 HB VAL 11 11.221 27.262 27.262 22 1HG1 VAL 11 HG12 VAL 11 12.779 26.812 26.812 23 2HG1 VAL 11 HG11 VAL 11 13.881 28.031 28.031 24 3HG1 VAL 11 HG13 VAL 11 12.288 28.505 28.505 25 1HG2 VAL 11 HG21 VAL 11 13.411 28.857 28.857 26 2HG2 VAL 11 HG23 VAL 11 11.689 28.815 28.815 27 3HG2 VAL 11 HG22 VAL 11 12.252 29.661 29.661 28 H ALA 12 HN ALA 12 14.644 25.243 25.243 29 HA ALA 12 HA ALA 12 13.289 22.671 22.671 30 1HB ALA 12 HB3 ALA 12 15.642 23.898 23.898 31 2HB ALA 12 HB2 ALA 12 14.983 22.341 22.341 32 3HB ALA 12 HB1 ALA 12 15.624 22.541 22.541 33 H LEU 13 HN LEU 13 11.273 22.751 22.751 34 HA LEU 13 HA LEU 13 10.540 24.489 24.489 35 1HB LEU 13 HB2 LEU 13 9.319 21.787 21.787 36 2HB LEU 13 HB1 LEU 13 8.547 23.145 23.145 37 HG LEU 13 HG LEU 13 9.531 23.177 23.177 38 1HD1 LEU 13 HD12 LEU 13 6.977 22.405 22.405 39 2HD1 LEU 13 HD11 LEU 13 6.824 23.524 23.524 40 3HD1 LEU 13 HD13 LEU 13 7.621 21.967 21.967 41 1HD2 LEU 13 HD22 LEU 13 7.922 25.171 25.171 42 2HD2 LEU 13 HD21 LEU 13 9.590 25.381 25.381 43 3HD2 LEU 13 HD23 LEU 13 8.286 25.319 25.319 44 H TYR 14 HN TYR 14 11.253 20.979 20.979 45 HA TYR 14 HA TYR 14 11.794 21.263 21.263 46 1HB TYR 14 HB2 TYR 14 11.660 18.597 18.597 47 2HB TYR 14 HB1 TYR 14 11.163 19.048 19.048 48 HD1 TYR 14 HD1 TYR 14 9.572 21.561 21.561 49 HD2 TYR 14 HD2 TYR 14 9.570 17.532 17.532 50 HE1 TYR 14 HE1 TYR 14 7.267 21.828 21.828 51 HE2 TYR 14 HE2 TYR 14 7.263 17.799 17.799 52 HH TYR 14 HH TYR 14 5.609 20.919 20.919 53 H ASP 15 HN ASP 15 13.676 20.004 20.004 54 HA ASP 15 HA ASP 15 16.035 20.535 20.535 55 1HB ASP 15 HB2 ASP 15 17.147 19.245 19.245 56 2HB ASP 15 HB1 ASP 15 16.332 20.753 20.753 57 H TYR 16 HN TYR 16 17.594 18.867 18.867 58 HA TYR 16 HA TYR 16 16.481 16.129 16.129 59 1HB TYR 16 HB2 TYR 16 15.849 17.127 17.127 60 2HB TYR 16 HB1 TYR 16 17.429 17.891 17.891 61 HD1 TYR 16 HD1 TYR 16 16.796 14.427 14.427 62 HD2 TYR 16 HD2 TYR 16 18.176 16.846 16.846 63 HE1 TYR 16 HE1 TYR 16 17.630 12.427 12.427 64 HE2 TYR 16 HE2 TYR 16 19.000 14.849 14.849 65 HH TYR 16 HH TYR 16 19.798 12.401 12.401 66 H GLU 17 HN GLU 17 18.140 15.673 15.673 67 HA GLU 17 HA GLU 17 20.946 16.101 16.101 68 1HB GLU 17 HB2 GLU 17 20.244 14.347 14.347 69 2HB GLU 17 HB1 GLU 17 21.442 15.631 15.631 70 1HG GLU 17 HG2 GLU 17 19.486 17.272 17.272 71 2HG GLU 17 HG1 GLU 17 18.461 15.916 15.916 72 H SER 18 HN SER 18 21.245 14.756 14.756 73 HA SER 18 HA SER 18 20.355 12.042 12.042 74 1HB SER 18 HB2 SER 18 21.394 12.046 12.046 75 2HB SER 18 HB1 SER 18 21.517 13.782 13.782 76 HG SER 18 HG SER 18 23.514 12.568 12.568 77 H ARG 19 HN ARG 19 22.043 10.177 10.177 78 HA ARG 19 HA ARG 19 24.104 10.492 10.492 79 1HB ARG 19 HB2 ARG 19 21.824 8.603 8.603 80 2HB ARG 19 HB1 ARG 19 23.372 7.892 7.892 81 1HG ARG 19 HG2 ARG 19 22.447 8.576 8.576 82 2HG ARG 19 HG1 ARG 19 23.553 9.888 9.888 83 1HD ARG 19 HD2 ARG 19 21.702 11.210 11.210 84 2HD ARG 19 HD1 ARG 19 20.581 9.880 9.880 85 HE ARG 19 HE ARG 19 21.581 11.743 11.743 86 1HH1 ARG 19 HH21 ARG 19 20.367 8.578 8.578 87 2HH1 ARG 19 HH22 ARG 19 19.769 8.330 8.330 88 1HH2 ARG 19 HH11 ARG 19 20.802 11.428 11.428 89 2HH2 ARG 19 HH12 ARG 19 20.015 9.939 9.939 90 H THR 20 HN THR 20 24.859 10.738 10.738 91 HA THR 20 HA THR 20 26.816 8.711 8.711 92 HB THR 20 HB THR 20 24.761 7.338 7.338 93 HG1 THR 20 HG1 THR 20 26.954 7.085 7.085 94 1HG2 THR 20 HG22 THR 20 23.483 9.156 9.156 95 2HG2 THR 20 HG21 THR 20 24.654 9.185 9.185 96 3HG2 THR 20 HG23 THR 20 23.646 7.760 7.760 97 H GLU 21 HN GLU 21 27.492 8.764 8.764 98 HA GLU 21 HA GLU 21 27.844 11.645 11.645 99 1HB GLU 21 HB2 GLU 21 29.665 9.740 9.740 100 2HB GLU 21 HB1 GLU 21 29.012 9.477 9.477 101 1HG GLU 21 HG2 GLU 21 29.289 12.005 12.005 102 2HG GLU 21 HG1 GLU 21 30.265 11.991 11.991 103 H THR 22 HN THR 22 25.231 11.098 11.098 104 HA THR 22 HA THR 22 25.108 11.009 11.009 105 HB THR 22 HB THR 22 24.195 8.923 8.923 106 HG1 THR 22 HG1 THR 22 22.491 8.871 8.871 107 1HG2 THR 22 HG23 THR 22 23.063 10.710 10.710 108 2HG2 THR 22 HG22 THR 22 21.696 10.238 10.238 109 3HG2 THR 22 HG21 THR 22 22.625 9.009 9.009 110 H ASP 23 HN ASP 23 22.057 11.486 11.486 111 HA ASP 23 HA ASP 23 21.595 14.024 14.024 112 1HB ASP 23 HB2 ASP 23 20.144 13.618 13.618 113 2HB ASP 23 HB1 ASP 23 19.520 13.785 13.785 114 H LEU 24 HN LEU 24 22.070 16.076 16.076 115 HA LEU 24 HA LEU 24 23.947 16.473 16.473 116 1HB LEU 24 HB2 LEU 24 22.496 18.282 18.282 117 2HB LEU 24 HB1 LEU 24 23.372 18.966 18.966 118 HG LEU 24 HG LEU 24 24.564 17.087 17.087 119 1HD1 LEU 24 HD12 LEU 24 24.038 19.332 19.332 120 2HD1 LEU 24 HD11 LEU 24 24.944 20.069 20.069 121 3HD1 LEU 24 HD13 LEU 24 25.778 19.077 19.077 122 1HD2 LEU 24 HD22 LEU 24 25.697 18.561 18.561 123 2HD2 LEU 24 HD21 LEU 24 25.710 16.823 16.823 124 3HD2 LEU 24 HD23 LEU 24 26.711 17.893 17.893 125 H SER 25 HN SER 25 23.439 16.764 16.764 126 HA SER 25 HA SER 25 20.690 16.876 16.876 127 1HB SER 25 HB2 SER 25 22.867 17.719 17.719 128 2HB SER 25 HB1 SER 25 21.562 16.564 16.564 129 HG SER 25 HG SER 25 23.121 15.180 15.180 130 H PHE 26 HN PHE 26 19.516 18.671 18.671 131 HA PHE 26 HA PHE 26 20.905 21.303 21.303 132 1HB PHE 26 HB2 PHE 26 18.978 22.293 22.293 133 2HB PHE 26 HB1 PHE 26 19.916 21.148 21.148 134 HD1 PHE 26 HD2 PHE 26 16.814 21.562 21.562 135 HD2 PHE 26 HD1 PHE 26 18.899 19.122 19.122 136 HE1 PHE 26 HE2 PHE 26 14.768 20.256 20.256 137 HE2 PHE 26 HE1 PHE 26 16.851 17.821 17.821 138 HZ PHE 26 HZ PHE 26 14.785 18.386 18.386 139 H LYS 27 HN LYS 27 20.376 22.437 22.437 140 HA LYS 27 HA LYS 27 18.388 21.417 21.417 141 1HB LYS 27 HB2 LYS 27 18.969 23.626 23.626 142 2HB LYS 27 HB1 LYS 27 20.261 22.443 22.443 143 1HG LYS 27 HG2 LYS 27 21.441 23.798 23.798 144 2HG LYS 27 HG1 LYS 27 19.998 24.287 24.287 145 1HD LYS 27 HD2 LYS 27 20.647 26.282 26.282 146 2HD LYS 27 HD1 LYS 27 19.432 25.646 25.646 147 1HE LYS 27 HE2 LYS 27 21.832 24.438 24.438 148 2HE LYS 27 HE1 LYS 27 22.268 26.110 26.110 149 1HZ LYS 27 HZ3 LYS 27 19.796 25.970 25.970 150 2HZ LYS 27 HZ2 LYS 27 21.015 25.169 25.169 151 3HZ LYS 27 HZ1 LYS 27 21.220 26.794 26.794 152 H LYS 28 HN LYS 28 16.973 23.438 23.438 153 HA LYS 28 HA LYS 28 15.077 24.057 24.057 154 1HB LYS 28 HB2 LYS 28 14.123 23.484 23.484 155 2HB LYS 28 HB1 LYS 28 15.130 24.661 24.661 156 1HG LYS 28 HG2 LYS 28 13.993 26.472 26.472 157 2HG LYS 28 HG1 LYS 28 12.894 25.244 25.244 158 1HD LYS 28 HD2 LYS 28 12.022 24.780 24.780 159 2HD LYS 28 HD1 LYS 28 13.302 25.709 25.709 160 1HE LYS 28 HE2 LYS 28 12.382 27.711 27.711 161 2HE LYS 28 HE1 LYS 28 10.941 26.714 26.714 162 1HZ LYS 28 HZ2 LYS 28 10.804 26.516 26.516 163 2HZ LYS 28 HZ1 LYS 28 12.171 27.509 27.509 164 3HZ LYS 28 HZ3 LYS 28 10.739 28.141 28.141 165 H GLY 29 HN GLY 29 14.552 26.167 26.167 166 1HA GLY 29 HA2 GLY 29 14.830 28.531 28.531 167 2HA GLY 29 HA1 GLY 29 16.123 28.451 28.451 168 H GLU 30 HN GLU 30 17.157 26.060 26.060 169 HA GLU 30 HA GLU 30 19.096 27.599 27.599 170 1HB GLU 30 HB2 GLU 30 19.530 25.319 25.319 171 2HB GLU 30 HB1 GLU 30 18.424 24.654 24.654 172 1HG GLU 30 HG2 GLU 30 20.188 24.530 24.530 173 2HG GLU 30 HG1 GLU 30 20.156 26.292 26.292 174 H ARG 31 HN ARG 31 19.213 27.976 27.976 175 HA ARG 31 HA ARG 31 16.642 27.647 27.647 176 1HB ARG 31 HB2 ARG 31 19.032 29.436 29.436 177 2HB ARG 31 HB1 ARG 31 17.999 29.144 29.144 178 1HG ARG 31 HG2 ARG 31 16.030 29.867 29.867 179 2HG ARG 31 HG1 ARG 31 17.072 30.175 30.175 180 1HD ARG 31 HD2 ARG 31 18.084 31.485 31.485 181 2HD ARG 31 HD1 ARG 31 16.435 31.987 31.987 182 HE ARG 31 HE ARG 31 17.200 32.974 32.974 183 1HH1 ARG 31 HH21 ARG 31 19.663 31.142 31.142 184 2HH1 ARG 31 HH22 ARG 31 20.937 31.758 31.758 185 1HH2 ARG 31 HH11 ARG 31 18.862 33.771 33.771 186 2HH2 ARG 31 HH12 ARG 31 20.488 33.240 33.240 187 H LEU 32 HN LEU 32 16.454 26.228 26.228 188 HA LEU 32 HA LEU 32 18.972 24.990 24.990 189 1HB LEU 32 HB2 LEU 32 16.379 23.721 23.721 190 2HB LEU 32 HB1 LEU 32 17.388 22.944 22.944 191 HG LEU 32 HG LEU 32 19.126 23.759 23.759 192 1HD1 LEU 32 HD12 LEU 32 16.623 23.567 23.567 193 2HD1 LEU 32 HD11 LEU 32 17.216 21.919 21.919 194 3HD1 LEU 32 HD13 LEU 32 18.120 23.270 23.270 195 1HD2 LEU 32 HD23 LEU 32 18.007 21.063 21.063 196 2HD2 LEU 32 HD22 LEU 32 19.486 21.818 21.818 197 3HD2 LEU 32 HD21 LEU 32 19.384 21.275 21.275 198 H GLN 33 HN GLN 33 19.028 24.639 24.639 199 HA GLN 33 HA GLN 33 16.795 25.920 25.920 200 1HB GLN 33 HB2 GLN 33 19.328 26.668 26.668 201 2HB GLN 33 HB1 GLN 33 19.460 25.299 25.299 202 1HG GLN 33 HG2 GLN 33 17.769 26.212 26.212 203 2HG GLN 33 HG1 GLN 33 17.363 27.468 27.468 204 1HE2 GLN 33 HE22 GLN 33 20.555 29.203 29.203 205 2HE2 GLN 33 HE21 GLN 33 19.660 28.660 28.660 206 H ILE 34 HN ILE 34 15.425 24.119 24.119 207 HA ILE 34 HA ILE 34 16.125 21.470 21.470 208 HB ILE 34 HB ILE 34 13.811 23.032 23.032 209 1HG1 ILE 34 HG12 ILE 34 13.793 23.171 23.171 210 2HG1 ILE 34 HG11 ILE 34 12.565 22.006 22.006 211 1HG2 ILE 34 HG23 ILE 34 14.586 20.147 20.147 212 2HG2 ILE 34 HG22 ILE 34 12.879 20.533 20.533 213 3HG2 ILE 34 HG21 ILE 34 13.723 21.062 21.062 214 1HD1 ILE 34 HD12 ILE 34 14.744 20.380 20.380 215 2HD1 ILE 34 HD11 ILE 34 15.090 21.574 21.574 216 3HD1 ILE 34 HD13 ILE 34 13.585 20.656 20.656 217 H VAL 35 HN VAL 35 16.339 20.291 20.291 218 HA VAL 35 HA VAL 35 17.385 22.000 22.000 219 HB VAL 35 HB VAL 35 18.080 19.174 19.174 220 1HG1 VAL 35 HG11 VAL 35 18.701 20.734 20.734 221 2HG1 VAL 35 HG13 VAL 35 19.780 19.462 19.462 222 3HG1 VAL 35 HG12 VAL 35 18.114 19.077 19.077 223 1HG2 VAL 35 HG23 VAL 35 19.098 21.180 21.180 224 2HG2 VAL 35 HG22 VAL 35 20.253 20.074 20.074 225 3HG2 VAL 35 HG21 VAL 35 19.860 21.599 21.599 226 H ASN 36 HN ASN 36 15.712 18.907 18.907 227 HA ASN 36 HA ASN 36 13.946 19.488 19.488 228 1HB ASN 36 HB2 ASN 36 16.133 17.616 17.616 229 2HB ASN 36 HB1 ASN 36 14.608 16.739 16.739 230 1HD2 ASN 36 HD22 ASN 36 14.572 17.568 17.568 231 2HD2 ASN 36 HD21 ASN 36 14.579 16.335 16.335 232 H ASN 37 HN ASN 37 11.897 19.063 19.063 233 HA ASN 37 HA ASN 37 11.527 17.106 17.106 234 1HB ASN 37 HB2 ASN 37 9.508 18.330 18.330 235 2HB ASN 37 HB1 ASN 37 10.837 19.482 19.482 236 1HD2 ASN 37 HD22 ASN 37 9.565 20.952 20.952 237 2HD2 ASN 37 HD21 ASN 37 11.002 20.636 20.636 238 H THR 38 HN THR 38 11.731 15.684 15.684 239 HA THR 38 HA THR 38 8.948 15.295 15.295 240 HB THR 38 HB THR 38 10.411 16.015 16.015 241 HG1 THR 38 HG1 THR 38 10.465 13.812 13.812 242 1HG2 THR 38 HG21 THR 38 12.269 14.162 14.162 243 2HG2 THR 38 HG23 THR 38 12.286 14.067 14.067 244 3HG2 THR 38 HG22 THR 38 12.611 15.603 15.603 245 H GLU 39 HN GLU 39 11.632 13.920 13.920 246 HA GLU 39 HA GLU 39 11.370 11.172 11.172 247 1HB GLU 39 HB2 GLU 39 12.366 12.803 12.803 248 2HB GLU 39 HB1 GLU 39 11.869 11.168 11.168 249 1HG GLU 39 HG2 GLU 39 13.413 11.248 11.248 250 2HG GLU 39 HG1 GLU 39 14.317 11.874 11.874 251 H GLY 40 HN GLY 40 9.575 13.148 13.148 252 1HA GLY 40 HA2 GLY 40 7.119 12.666 12.666 253 2HA GLY 40 HA1 GLY 40 7.540 10.956 10.956 254 H ASP 41 HN ASP 41 9.904 12.433 12.433 255 HA ASP 41 HA ASP 41 8.553 12.752 12.752 256 1HB ASP 41 HB2 ASP 41 9.860 10.632 10.632 257 2HB ASP 41 HB1 ASP 41 8.238 10.476 10.476 258 H TRP 42 HN TRP 42 11.667 11.144 11.144 259 HA TRP 42 HA TRP 42 13.055 13.129 13.129 260 1HB TRP 42 HB2 TRP 42 13.873 10.659 10.659 261 2HB TRP 42 HB1 TRP 42 15.099 11.779 11.779 262 HD1 TRP 42 HD1 TRP 42 12.472 9.251 9.251 263 HE1 TRP 42 HE1 TRP 42 12.907 8.953 8.953 264 HE3 TRP 42 HE3 TRP 42 15.841 12.827 12.827 265 HZ2 TRP 42 HZ2 TRP 42 14.581 10.167 10.167 266 HZ3 TRP 42 HZ3 TRP 42 16.876 13.294 13.294 267 HH2 TRP 42 HH2 TRP 42 16.248 11.963 11.963 268 H TRP 43 HN TRP 43 14.416 14.762 14.762 269 HA TRP 43 HA TRP 43 14.694 15.043 15.043 270 1HB TRP 43 HB2 TRP 43 14.016 17.321 17.321 271 2HB TRP 43 HB1 TRP 43 14.162 17.408 17.408 272 HD1 TRP 43 HD1 TRP 43 12.479 14.780 14.780 273 HE1 TRP 43 HE1 TRP 43 9.983 14.882 14.882 274 HE3 TRP 43 HE3 TRP 43 12.364 18.457 18.457 275 HZ2 TRP 43 HZ2 TRP 43 8.070 16.436 16.436 276 HZ3 TRP 43 HZ3 TRP 43 10.268 19.282 19.282 277 HH2 TRP 43 HH2 TRP 43 8.121 18.271 18.271 278 H LEU 44 HN LEU 44 16.453 16.635 16.635 279 HA LEU 44 HA LEU 44 18.648 16.424 16.424 280 1HB LEU 44 HB2 LEU 44 18.937 15.413 15.413 281 2HB LEU 44 HB1 LEU 44 18.914 17.060 17.060 282 HG LEU 44 HG LEU 44 20.749 17.460 17.460 283 1HD1 LEU 44 HD12 LEU 44 20.704 14.471 14.471 284 2HD1 LEU 44 HD11 LEU 44 22.189 15.306 15.306 285 3HD1 LEU 44 HD13 LEU 44 20.783 15.369 15.369 286 1HD2 LEU 44 HD22 LEU 44 20.767 16.922 16.922 287 2HD2 LEU 44 HD21 LEU 44 22.050 17.688 17.688 288 3HD2 LEU 44 HD23 LEU 44 22.069 15.944 15.944 289 H ALA 45 HN ALA 45 19.123 18.299 18.299 290 HA ALA 45 HA ALA 45 18.516 20.864 20.864 291 1HB ALA 45 HB3 ALA 45 17.197 20.085 20.085 292 2HB ALA 45 HB2 ALA 45 18.613 20.773 20.773 293 3HB ALA 45 HB1 ALA 45 17.625 21.776 21.776 294 H HIS 46 HN HIS 46 20.010 22.582 22.582 295 HA HIS 46 HA HIS 46 22.681 21.682 21.682 296 1HB HIS 46 HB2 HIS 46 22.838 22.209 22.209 297 2HB HIS 46 HB1 HIS 46 21.881 23.677 23.677 298 HD1 HIS 46 HD1 HIS 46 25.176 22.371 22.371 299 HD2 HIS 46 HD2 HIS 46 23.379 25.936 25.936 300 HE1 HIS 46 HE1 HIS 46 26.914 24.056 24.056 301 H SER 47 HN SER 47 23.728 22.976 22.976 302 HA SER 47 HA SER 47 22.069 25.169 25.169 303 1HB SER 47 HB2 SER 47 23.826 23.109 23.109 304 2HB SER 47 HB1 SER 47 24.180 24.717 24.717 305 HG SER 47 HG SER 47 22.450 23.375 23.375 306 H LEU 48 HN LEU 48 23.086 27.193 27.193 307 HA LEU 48 HA LEU 48 25.394 27.799 27.799 308 1HB LEU 48 HB2 LEU 48 23.742 29.804 29.804 309 2HB LEU 48 HB1 LEU 48 24.712 30.073 30.073 310 HG LEU 48 HG LEU 48 22.255 28.298 28.298 311 1HD1 LEU 48 HD12 LEU 48 22.614 31.205 31.205 312 2HD1 LEU 48 HD11 LEU 48 21.625 30.400 30.400 313 3HD1 LEU 48 HD13 LEU 48 21.177 30.306 30.306 314 1HD2 LEU 48 HD21 LEU 48 24.166 29.186 29.186 315 2HD2 LEU 48 HD23 LEU 48 23.591 27.557 27.557 316 3HD2 LEU 48 HD22 LEU 48 22.511 28.724 28.724 317 H THR 49 HN THR 49 24.416 27.773 27.773 318 HA THR 49 HA THR 49 26.439 29.317 29.317 319 HB THR 49 HB THR 49 25.151 26.744 26.744 320 HG1 THR 49 HG1 THR 49 23.644 28.119 28.119 321 1HG2 THR 49 HG21 THR 49 27.416 27.121 27.121 322 2HG2 THR 49 HG23 THR 49 26.826 28.669 28.669 323 3HG2 THR 49 HG22 THR 49 26.089 27.168 27.168 324 H THR 50 HN THR 50 26.674 25.748 25.748 325 HA THR 50 HA THR 50 29.615 26.012 26.012 326 HB THR 50 HB THR 50 28.887 24.395 24.395 327 HG1 THR 50 HG1 THR 50 30.308 23.076 23.076 328 1HG2 THR 50 HG23 THR 50 26.899 23.757 23.757 329 2HG2 THR 50 HG22 THR 50 27.426 22.425 22.425 330 3HG2 THR 50 HG21 THR 50 26.687 23.855 23.855 331 H GLY 51 HN GLY 51 26.928 25.014 25.014 332 1HA GLY 51 HA2 GLY 51 27.102 25.064 25.064 333 2HA GLY 51 HA1 GLY 51 28.837 24.789 24.789 334 H GLN 52 HN GLN 52 28.490 23.019 23.019 335 HA GLN 52 HA GLN 52 28.309 20.735 20.735 336 1HB GLN 52 HB2 GLN 52 28.220 20.596 20.596 337 2HB GLN 52 HB1 GLN 52 28.309 19.178 19.178 338 1HG GLN 52 HG2 GLN 52 30.292 21.260 21.260 339 2HG GLN 52 HG1 GLN 52 30.490 20.548 20.548 340 1HE2 GLN 52 HE22 GLN 52 32.347 18.075 18.075 341 2HE2 GLN 52 HE21 GLN 52 32.483 19.464 19.464 342 H THR 53 HN THR 53 26.668 19.055 19.055 343 HA THR 53 HA THR 53 23.966 20.118 20.118 344 HB THR 53 HB THR 53 25.108 18.746 18.746 345 HG1 THR 53 HG1 THR 53 22.430 19.474 19.474 346 1HG2 THR 53 HG21 THR 53 24.366 16.660 16.660 347 2HG2 THR 53 HG23 THR 53 22.713 17.261 17.261 348 3HG2 THR 53 HG22 THR 53 23.623 16.882 16.882 349 H GLY 54 HN GLY 54 22.333 18.202 18.202 350 1HA GLY 54 HA2 GLY 54 23.278 15.899 15.899 351 2HA GLY 54 HA1 GLY 54 22.887 17.180 17.180 352 H TYR 55 HN TYR 55 21.587 14.496 14.496 353 HA TYR 55 HA TYR 55 19.047 15.159 15.159 354 1HB TYR 55 HB2 TYR 55 19.391 12.890 12.890 355 2HB TYR 55 HB1 TYR 55 18.428 12.948 12.948 356 HD1 TYR 55 HD2 TYR 55 19.964 13.564 13.564 357 HD2 TYR 55 HD1 TYR 55 21.334 11.595 11.595 358 HE1 TYR 55 HE2 TYR 55 21.849 12.628 12.628 359 HE2 TYR 55 HE1 TYR 55 23.214 10.657 10.657 360 HH TYR 55 HH TYR 55 24.372 11.743 11.743 361 H ILE 56 HN ILE 56 16.934 15.025 15.025 362 HA ILE 56 HA ILE 56 17.077 15.701 15.701 363 HB ILE 56 HB ILE 56 15.794 17.809 17.809 364 1HG1 ILE 56 HG12 ILE 56 16.401 18.394 18.394 365 2HG1 ILE 56 HG11 ILE 56 15.633 16.806 16.806 366 1HG2 ILE 56 HG23 ILE 56 18.426 17.674 17.674 367 2HG2 ILE 56 HG22 ILE 56 17.691 19.149 19.149 368 3HG2 ILE 56 HG21 ILE 56 18.243 17.894 17.894 369 1HD1 ILE 56 HD13 ILE 56 14.293 18.627 18.627 370 2HD1 ILE 56 HD12 ILE 56 14.342 19.290 19.290 371 3HD1 ILE 56 HD11 ILE 56 13.621 17.707 17.707 372 HA PRO 57 HA PRO 57 13.373 13.327 13.327 373 1HB PRO 57 HB2 PRO 57 12.345 14.570 14.570 374 2HB PRO 57 HB1 PRO 57 13.149 13.003 13.003 375 1HG PRO 57 HG2 PRO 57 14.199 15.446 15.446 376 2HG PRO 57 HG1 PRO 57 14.985 13.866 13.866 377 1HD PRO 57 HD1 PRO 57 15.588 16.235 16.235 378 2HD PRO 57 HD2 PRO 57 16.361 14.642 14.642 379 H SER 58 HN SER 58 11.083 13.652 13.652 380 HA SER 58 HA SER 58 10.469 16.321 16.321 381 1HB SER 58 HB2 SER 58 9.105 15.181 15.181 382 2HB SER 58 HB1 SER 58 9.742 13.700 13.700 383 HG SER 58 HG SER 58 7.287 14.687 14.687 384 H ASN 59 HN ASN 59 10.058 14.669 14.669 385 HA ASN 59 HA ASN 59 7.724 16.377 16.377 386 1HB ASN 59 HB2 ASN 59 7.914 14.722 14.722 387 2HB ASN 59 HB1 ASN 59 7.043 14.266 14.266 388 1HD2 ASN 59 HD22 ASN 59 9.581 11.951 11.951 389 2HD2 ASN 59 HD21 ASN 59 8.352 12.973 12.973 390 H TYR 60 HN TYR 60 10.272 17.583 17.583 391 HA TYR 60 HA TYR 60 10.679 18.280 18.280 392 1HB TYR 60 HB2 TYR 60 12.750 17.258 17.258 393 2HB TYR 60 HB1 TYR 60 13.217 18.416 18.416 394 HD1 TYR 60 HD1 TYR 60 11.299 15.220 15.220 395 HD2 TYR 60 HD2 TYR 60 13.776 17.600 17.600 396 HE1 TYR 60 HE1 TYR 60 11.359 13.412 13.412 397 HE2 TYR 60 HE2 TYR 60 13.837 15.792 15.792 398 HH TYR 60 HH TYR 60 13.265 12.803 12.803 399 H VAL 61 HN VAL 61 11.247 19.081 19.081 400 HA VAL 61 HA VAL 61 11.693 21.921 21.921 401 HB VAL 61 HB VAL 61 13.346 21.225 21.225 402 1HG1 VAL 61 HG13 VAL 61 11.090 19.667 19.667 403 2HG1 VAL 61 HG12 VAL 61 12.385 20.173 20.173 404 3HG1 VAL 61 HG11 VAL 61 12.752 19.168 19.168 405 1HG2 VAL 61 HG22 VAL 61 12.276 23.352 23.352 406 2HG2 VAL 61 HG21 VAL 61 12.879 22.460 22.460 407 3HG2 VAL 61 HG23 VAL 61 11.156 22.453 22.453 408 H ALA 62 HN ALA 62 10.584 23.546 23.546 409 HA ALA 62 HA ALA 62 8.099 22.729 22.729 410 1HB ALA 62 HB3 ALA 62 8.087 24.059 24.059 411 2HB ALA 62 HB2 ALA 62 6.733 24.238 24.238 412 3HB ALA 62 HB1 ALA 62 7.184 22.638 22.638 413 HA PRO 63 HA PRO 63 9.328 26.409 26.409 414 1HB PRO 63 HB2 PRO 63 6.738 26.596 26.596 415 2HB PRO 63 HB1 PRO 63 8.241 26.001 26.001 416 1HG PRO 63 HG2 PRO 63 5.936 24.460 24.460 417 2HG PRO 63 HG1 PRO 63 7.442 23.865 23.865 418 1HD PRO 63 HD1 PRO 63 6.538 23.605 23.605 419 2HD PRO 63 HD2 PRO 63 8.040 22.988 22.988 420 H SER 64 HN SER 64 9.331 27.860 27.860 421 HA SER 64 HA SER 64 7.423 29.945 29.945 422 1HB SER 64 HB2 SER 64 6.206 27.801 27.801 423 2HB SER 64 HB1 SER 64 6.977 28.462 28.462 424 HG SER 64 HG SER 64 4.980 29.425 29.425 425 1H ALA 71 HT2 ALA 71 5.678 18.293 18.293 426 2H ALA 71 HT1 ALA 71 5.537 19.842 19.842 427 3H ALA 71 HT3 ALA 71 6.955 19.403 19.403 428 HA ALA 71 HA ALA 71 7.773 18.956 18.956 429 1HB ALA 71 HB2 ALA 71 5.160 19.697 19.697 430 2HB ALA 71 HB1 ALA 71 5.408 18.130 18.130 431 3HB ALA 71 HB3 ALA 71 6.518 19.461 19.461 432 H PHE 72 HN PHE 72 7.058 17.017 17.017 433 HA PHE 72 HA PHE 72 7.594 14.584 14.584 434 1HB PHE 72 HB2 PHE 72 5.484 13.951 13.951 435 2HB PHE 72 HB1 PHE 72 5.574 13.594 13.594 436 HD1 PHE 72 HD1 PHE 72 4.777 15.312 15.312 437 HD2 PHE 72 HD2 PHE 72 4.200 15.821 15.821 438 HE1 PHE 72 HE1 PHE 72 3.090 17.043 17.043 439 HE2 PHE 72 HE2 PHE 72 2.514 17.549 17.549 440 HZ PHE 72 HZ PHE 72 1.957 18.162 18.162 441 H ALA 73 HN ALA 73 9.425 15.632 15.632 442 HA ALA 73 HA ALA 73 9.492 15.342 15.342 443 1HB ALA 73 HB2 ALA 73 11.486 15.019 15.019 444 2HB ALA 73 HB1 ALA 73 11.909 14.247 14.247 445 3HB ALA 73 HB3 ALA 73 11.571 15.977 15.977 446 HA PRO 74 HA PRO 74 8.091 11.038 11.038 447 1HB PRO 74 HB2 PRO 74 8.074 11.317 11.317 448 2HB PRO 74 HB1 PRO 74 6.688 11.227 11.227 449 1HG PRO 74 HG2 PRO 74 7.687 13.545 13.545 450 2HG PRO 74 HG1 PRO 74 6.295 13.454 13.454 451 1HD PRO 74 HD1 PRO 74 8.847 14.688 14.688 452 2HD PRO 74 HD2 PRO 74 7.461 14.570 14.570 453 HA PRO 75 HA PRO 75 11.962 9.134 9.134 454 1HB PRO 75 HB2 PRO 75 10.761 6.745 6.745 455 2HB PRO 75 HB1 PRO 75 11.427 7.000 7.000 456 1HG PRO 75 HG2 PRO 75 8.649 6.774 6.774 457 2HG PRO 75 HG1 PRO 75 9.315 7.034 7.034 458 1HD PRO 75 HD1 PRO 75 7.924 8.935 8.935 459 2HD PRO 75 HD2 PRO 75 8.588 9.194 9.194 460 H LEU 76 HN LEU 76 13.202 8.174 8.174 461 HA LEU 76 HA LEU 76 12.347 9.438 9.438 462 1HB LEU 76 HB2 LEU 76 14.886 7.864 7.864 463 2HB LEU 76 HB1 LEU 76 14.580 9.237 9.237 464 HG LEU 76 HG LEU 76 14.636 9.366 9.366 465 1HD1 LEU 76 HD12 LEU 76 16.666 10.043 10.043 466 2HD1 LEU 76 HD11 LEU 76 16.717 10.788 10.788 467 3HD1 LEU 76 HD13 LEU 76 16.882 9.039 9.039 468 1HD2 LEU 76 HD22 LEU 76 13.326 11.027 11.027 469 2HD2 LEU 76 HD21 LEU 76 13.945 11.526 11.526 470 3HD2 LEU 76 HD23 LEU 76 14.901 11.810 11.810 471 HA PRO 77 HA PRO 77 10.608 5.509 5.509 472 1HB PRO 77 HB2 PRO 77 10.344 6.551 6.551 473 2HB PRO 77 HB1 PRO 77 9.073 6.314 6.314 474 1HG PRO 77 HG2 PRO 77 10.223 8.808 8.808 475 2HG PRO 77 HG1 PRO 77 8.946 8.572 8.572 476 1HD PRO 77 HD1 PRO 77 11.683 9.354 9.354 477 2HD PRO 77 HD2 PRO 77 10.404 9.106 9.106 478 H ARG 78 HN ARG 78 11.025 4.251 4.251 479 HA ARG 78 HA ARG 78 13.976 4.001 4.001 480 1HB ARG 78 HB2 ARG 78 12.594 1.964 1.964 481 2HB ARG 78 HB1 ARG 78 11.797 2.252 2.252 482 1HG ARG 78 HG2 ARG 78 13.733 0.591 0.591 483 2HG ARG 78 HG1 ARG 78 13.827 1.906 1.906 484 1HD ARG 78 HD2 ARG 78 15.349 3.141 3.141 485 2HD ARG 78 HD1 ARG 78 15.197 1.898 1.898 486 HE ARG 78 HE ARG 78 16.082 0.494 0.494 487 1HH1 ARG 78 HH21 ARG 78 17.088 3.323 3.323 488 2HH1 ARG 78 HH22 ARG 78 18.765 3.105 3.105 489 1HH2 ARG 78 HH11 ARG 78 18.268 0.202 0.202 490 2HH2 ARG 78 HH12 ARG 78 19.433 1.342 1.342 491 H ARG 79 HN ARG 79 13.359 6.316 6.316 492 HA ARG 79 HA ARG 79 13.250 7.496 7.496 493 1HB ARG 79 HB2 ARG 79 14.886 5.157 5.157 494 2HB ARG 79 HB1 ARG 79 14.964 6.837 6.837 495 1HG ARG 79 HG2 ARG 79 15.756 5.769 5.769 496 2HG ARG 79 HG1 ARG 79 16.848 6.377 6.377 497 1HD ARG 79 HD2 ARG 79 15.572 8.581 8.581 498 2HD ARG 79 HD1 ARG 79 14.791 7.937 7.937 499 HE ARG 79 HE ARG 79 16.815 8.255 8.255 500 1HH1 ARG 79 HH21 ARG 79 17.256 8.422 8.422 501 2HH1 ARG 79 HH22 ARG 79 18.895 8.970 8.970 502 1HH2 ARG 79 HH11 ARG 79 18.953 8.967 8.967 503 2HH2 ARG 79 HH12 ARG 79 19.854 9.279 9.279 Start of MODEL 6 1 1H THR 9 HT1 THR 9 12.265 30.042 30.042 2 2H THR 9 HT3 THR 9 12.847 30.951 30.951 3 3H THR 9 HT2 THR 9 13.717 30.911 30.911 4 HA THR 9 HA THR 9 14.183 28.570 28.570 5 HB THR 9 HB THR 9 14.976 29.452 29.452 6 HG1 THR 9 HG1 THR 9 15.592 31.421 31.421 7 1HG2 THR 9 HG22 THR 9 16.069 28.250 28.250 8 2HG2 THR 9 HG21 THR 9 17.113 29.563 29.563 9 3HG2 THR 9 HG23 THR 9 16.715 28.238 28.238 10 H PHE 10 HN PHE 10 14.339 26.893 26.893 11 HA PHE 10 HA PHE 10 11.591 26.640 26.640 12 1HB PHE 10 HB2 PHE 10 13.770 24.683 24.683 13 2HB PHE 10 HB1 PHE 10 12.517 24.234 24.234 14 HD1 PHE 10 HD2 PHE 10 12.317 26.353 26.353 15 HD2 PHE 10 HD1 PHE 10 11.065 22.763 22.763 16 HE1 PHE 10 HE2 PHE 10 10.770 25.897 25.897 17 HE2 PHE 10 HE1 PHE 10 9.517 22.314 22.314 18 HZ PHE 10 HZ PHE 10 9.369 23.879 23.879 19 H VAL 11 HN VAL 11 11.732 25.251 25.251 20 HA VAL 11 HA VAL 11 13.935 26.310 26.310 21 HB VAL 11 HB VAL 11 11.026 26.454 26.454 22 1HG1 VAL 11 HG11 VAL 11 13.659 27.069 27.069 23 2HG1 VAL 11 HG13 VAL 11 12.399 28.276 28.276 24 3HG1 VAL 11 HG12 VAL 11 12.142 26.608 26.608 25 1HG2 VAL 11 HG23 VAL 11 12.825 28.539 28.539 26 2HG2 VAL 11 HG22 VAL 11 11.241 28.004 28.004 27 3HG2 VAL 11 HG21 VAL 11 11.378 28.956 28.956 28 H ALA 12 HN ALA 12 14.493 24.914 24.914 29 HA ALA 12 HA ALA 12 13.605 22.162 22.162 30 1HB ALA 12 HB3 ALA 12 15.395 23.589 23.589 31 2HB ALA 12 HB2 ALA 12 15.047 21.863 21.863 32 3HB ALA 12 HB1 ALA 12 15.877 22.513 22.513 33 H LEU 13 HN LEU 13 11.359 22.161 22.161 34 HA LEU 13 HA LEU 13 10.033 23.407 23.407 35 1HB LEU 13 HB2 LEU 13 9.556 20.636 20.636 36 2HB LEU 13 HB1 LEU 13 8.418 21.506 21.506 37 HG LEU 13 HG LEU 13 9.438 22.404 22.404 38 1HD1 LEU 13 HD11 LEU 13 7.029 20.992 20.992 39 2HD1 LEU 13 HD13 LEU 13 6.711 22.341 22.341 40 3HD1 LEU 13 HD12 LEU 13 7.748 21.013 21.013 41 1HD2 LEU 13 HD22 LEU 13 7.923 23.778 23.778 42 2HD2 LEU 13 HD21 LEU 13 9.124 24.434 24.434 43 3HD2 LEU 13 HD23 LEU 13 7.480 24.129 24.129 44 H TYR 14 HN TYR 14 12.308 20.782 20.782 45 HA TYR 14 HA TYR 14 12.179 20.855 20.855 46 1HB TYR 14 HB2 TYR 14 11.916 18.226 18.226 47 2HB TYR 14 HB1 TYR 14 11.846 18.483 18.483 48 HD1 TYR 14 HD2 TYR 14 10.060 19.027 19.027 49 HD2 TYR 14 HD1 TYR 14 9.847 19.375 19.375 50 HE1 TYR 14 HE2 TYR 14 7.653 19.468 19.468 51 HE2 TYR 14 HE1 TYR 14 7.437 19.802 19.802 52 HH TYR 14 HH TYR 14 5.720 19.572 19.572 53 H ASP 15 HN ASP 15 14.001 19.399 19.399 54 HA ASP 15 HA ASP 15 16.440 20.025 20.025 55 1HB ASP 15 HB2 ASP 15 16.168 18.390 18.390 56 2HB ASP 15 HB1 ASP 15 17.609 19.222 19.222 57 H TYR 16 HN TYR 16 17.146 18.709 18.709 58 HA TYR 16 HA TYR 16 16.351 15.853 15.853 59 1HB TYR 16 HB2 TYR 16 16.030 16.964 16.964 60 2HB TYR 16 HB1 TYR 16 17.669 17.612 17.612 61 HD1 TYR 16 HD1 TYR 16 16.544 14.171 14.171 62 HD2 TYR 16 HD2 TYR 16 18.688 16.576 16.576 63 HE1 TYR 16 HE1 TYR 16 17.369 12.149 12.149 64 HE2 TYR 16 HE2 TYR 16 19.515 14.554 14.554 65 HH TYR 16 HH TYR 16 18.423 11.924 11.924 66 H GLU 17 HN GLU 17 17.713 14.556 14.556 67 HA GLU 17 HA GLU 17 20.607 15.222 15.222 68 1HB GLU 17 HB2 GLU 17 19.309 14.687 14.687 69 2HB GLU 17 HB1 GLU 17 19.145 13.038 13.038 70 1HG GLU 17 HG2 GLU 17 21.197 12.553 12.553 71 2HG GLU 17 HG1 GLU 17 21.886 13.793 13.793 72 H SER 18 HN SER 18 20.561 14.527 14.527 73 HA SER 18 HA SER 18 20.092 11.973 11.973 74 1HB SER 18 HB2 SER 18 21.427 12.545 12.545 75 2HB SER 18 HB1 SER 18 21.281 14.142 14.142 76 HG SER 18 HG SER 18 23.476 12.799 12.799 77 H ARG 19 HN ARG 19 21.073 9.966 9.966 78 HA ARG 19 HA ARG 19 23.113 9.720 9.720 79 1HB ARG 19 HB2 ARG 19 21.652 7.516 7.516 80 2HB ARG 19 HB1 ARG 19 22.557 7.366 7.366 81 1HG ARG 19 HG2 ARG 19 20.959 8.883 8.883 82 2HG ARG 19 HG1 ARG 19 20.051 9.031 9.031 83 1HD ARG 19 HD2 ARG 19 20.457 6.243 6.243 84 2HD ARG 19 HD1 ARG 19 19.775 7.035 7.035 85 HE ARG 19 HE ARG 19 18.253 7.968 7.968 86 1HH1 ARG 19 HH21 ARG 19 19.134 4.931 4.931 87 2HH1 ARG 19 HH22 ARG 19 17.665 4.144 4.144 88 1HH2 ARG 19 HH11 ARG 19 16.334 6.951 6.951 89 2HH2 ARG 19 HH12 ARG 19 16.081 5.286 5.286 90 H THR 20 HN THR 20 22.829 9.628 9.628 91 HA THR 20 HA THR 20 25.501 8.310 8.310 92 HB THR 20 HB THR 20 24.897 8.066 8.066 93 HG1 THR 20 HG1 THR 20 22.353 8.911 8.911 94 1HG2 THR 20 HG22 THR 20 23.034 6.893 6.893 95 2HG2 THR 20 HG21 THR 20 23.123 6.324 6.324 96 3HG2 THR 20 HG23 THR 20 24.528 6.183 6.183 97 H GLU 21 HN GLU 21 26.929 9.282 9.282 98 HA GLU 21 HA GLU 21 27.059 12.181 12.181 99 1HB GLU 21 HB2 GLU 21 28.809 10.081 10.081 100 2HB GLU 21 HB1 GLU 21 29.023 11.732 11.732 101 1HG GLU 21 HG2 GLU 21 30.402 11.889 11.889 102 2HG GLU 21 HG1 GLU 21 28.883 12.190 12.190 103 H THR 22 HN THR 22 25.944 9.980 9.980 104 HA THR 22 HA THR 22 26.077 11.510 11.510 105 HB THR 22 HB THR 22 23.443 10.249 10.249 106 HG1 THR 22 HG1 THR 22 24.491 8.155 8.155 107 1HG2 THR 22 HG21 THR 22 25.655 9.826 9.826 108 2HG2 THR 22 HG23 THR 22 24.032 9.145 9.145 109 3HG2 THR 22 HG22 THR 22 24.263 10.889 10.889 110 H ASP 23 HN ASP 23 23.476 11.636 11.636 111 HA ASP 23 HA ASP 23 22.537 14.178 14.178 112 1HB ASP 23 HB2 ASP 23 21.196 12.930 12.930 113 2HB ASP 23 HB1 ASP 23 20.483 13.785 13.785 114 H LEU 24 HN LEU 24 22.623 16.128 16.128 115 HA LEU 24 HA LEU 24 24.446 16.171 16.171 116 1HB LEU 24 HB2 LEU 24 23.159 18.518 18.518 117 2HB LEU 24 HB1 LEU 24 24.566 18.552 18.552 118 HG LEU 24 HG LEU 24 24.609 16.813 16.813 119 1HD1 LEU 24 HD11 LEU 24 24.911 19.814 19.814 120 2HD1 LEU 24 HD13 LEU 24 25.737 18.861 18.861 121 3HD1 LEU 24 HD12 LEU 24 23.976 18.852 18.852 122 1HD2 LEU 24 HD21 LEU 24 26.371 17.159 17.159 123 2HD2 LEU 24 HD23 LEU 24 26.871 16.769 16.769 124 3HD2 LEU 24 HD22 LEU 24 26.914 18.440 18.440 125 H SER 25 HN SER 25 23.837 16.995 16.995 126 HA SER 25 HA SER 25 20.926 16.877 16.877 127 1HB SER 25 HB2 SER 25 22.458 17.435 17.435 128 2HB SER 25 HB1 SER 25 21.597 15.954 15.954 129 HG SER 25 HG SER 25 23.452 15.360 15.360 130 H PHE 26 HN PHE 26 19.796 18.637 18.637 131 HA PHE 26 HA PHE 26 21.292 21.206 21.206 132 1HB PHE 26 HB2 PHE 26 19.294 22.313 22.313 133 2HB PHE 26 HB1 PHE 26 20.321 21.346 21.346 134 HD1 PHE 26 HD2 PHE 26 17.106 21.442 21.442 135 HD2 PHE 26 HD1 PHE 26 19.499 19.265 19.265 136 HE1 PHE 26 HE2 PHE 26 15.166 20.049 20.049 137 HE2 PHE 26 HE1 PHE 26 17.558 17.874 17.874 138 HZ PHE 26 HZ PHE 26 15.393 18.262 18.262 139 H LYS 27 HN LYS 27 20.042 22.850 22.850 140 HA LYS 27 HA LYS 27 18.537 21.518 21.518 141 1HB LYS 27 HB2 LYS 27 20.372 23.657 23.657 142 2HB LYS 27 HB1 LYS 27 18.820 24.379 24.379 143 1HG LYS 27 HG2 LYS 27 18.580 22.546 22.546 144 2HG LYS 27 HG1 LYS 27 20.260 22.125 22.125 145 1HD LYS 27 HD2 LYS 27 20.834 24.561 24.561 146 2HD LYS 27 HD1 LYS 27 19.184 24.747 24.747 147 1HE LYS 27 HE2 LYS 27 20.079 22.433 22.433 148 2HE LYS 27 HE1 LYS 27 21.490 23.491 23.491 149 1HZ LYS 27 HZ1 LYS 27 19.949 25.263 25.263 150 2HZ LYS 27 HZ3 LYS 27 18.780 24.051 24.051 151 3HZ LYS 27 HZ2 LYS 27 20.244 23.988 23.988 152 H LYS 28 HN LYS 28 16.729 23.189 23.189 153 HA LYS 28 HA LYS 28 14.786 23.396 23.396 154 1HB LYS 28 HB2 LYS 28 14.286 22.488 22.488 155 2HB LYS 28 HB1 LYS 28 14.313 24.173 24.173 156 1HG LYS 28 HG2 LYS 28 12.728 23.922 23.922 157 2HG LYS 28 HG1 LYS 28 12.154 22.780 22.780 158 1HD LYS 28 HD2 LYS 28 12.279 24.761 24.761 159 2HD LYS 28 HD1 LYS 28 12.403 25.783 25.783 160 1HE LYS 28 HE2 LYS 28 10.278 24.976 24.976 161 2HE LYS 28 HE1 LYS 28 10.183 23.767 23.767 162 1HZ LYS 28 HZ2 LYS 28 10.487 26.576 26.576 163 2HZ LYS 28 HZ1 LYS 28 8.967 26.064 26.064 164 3HZ LYS 28 HZ3 LYS 28 9.669 25.319 25.319 165 H GLY 29 HN GLY 29 14.349 25.292 25.292 166 1HA GLY 29 HA2 GLY 29 13.847 27.699 27.699 167 2HA GLY 29 HA1 GLY 29 15.055 27.841 27.841 168 H GLU 30 HN GLU 30 16.578 25.802 25.802 169 HA GLU 30 HA GLU 30 18.199 27.888 27.888 170 1HB GLU 30 HB2 GLU 30 19.215 25.827 25.827 171 2HB GLU 30 HB1 GLU 30 18.345 24.870 24.870 172 1HG GLU 30 HG2 GLU 30 19.529 25.940 25.940 173 2HG GLU 30 HG1 GLU 30 20.263 27.106 27.106 174 H ARG 31 HN ARG 31 18.238 28.435 28.435 175 HA ARG 31 HA ARG 31 15.938 27.541 27.541 176 1HB ARG 31 HB2 ARG 31 18.105 29.610 29.610 177 2HB ARG 31 HB1 ARG 31 16.968 29.192 29.192 178 1HG ARG 31 HG2 ARG 31 15.727 30.859 30.859 179 2HG ARG 31 HG1 ARG 31 15.231 29.550 29.550 180 1HD ARG 31 HD2 ARG 31 15.971 31.591 31.591 181 2HD ARG 31 HD1 ARG 31 16.947 30.171 30.171 182 HE ARG 31 HE ARG 31 18.794 31.278 31.278 183 1HH1 ARG 31 HH21 ARG 31 15.803 32.636 32.636 184 2HH1 ARG 31 HH22 ARG 31 16.554 33.934 33.934 185 1HH2 ARG 31 HH11 ARG 31 19.783 32.967 32.967 186 2HH2 ARG 31 HH12 ARG 31 18.803 34.122 34.122 187 H LEU 32 HN LEU 32 16.133 26.451 26.451 188 HA LEU 32 HA LEU 32 18.838 25.367 25.367 189 1HB LEU 32 HB2 LEU 32 16.263 23.807 23.807 190 2HB LEU 32 HB1 LEU 32 17.682 23.162 23.162 191 HG LEU 32 HG LEU 32 18.725 24.179 24.179 192 1HD1 LEU 32 HD13 LEU 32 16.082 24.171 24.171 193 2HD1 LEU 32 HD12 LEU 32 16.451 22.493 22.493 194 3HD1 LEU 32 HD11 LEU 32 17.292 23.803 23.803 195 1HD2 LEU 32 HD21 LEU 32 19.258 22.031 22.031 196 2HD2 LEU 32 HD23 LEU 32 19.069 21.835 21.835 197 3HD2 LEU 32 HD22 LEU 32 17.770 21.346 21.346 198 H GLN 33 HN GLN 33 19.226 25.147 25.147 199 HA GLN 33 HA GLN 33 17.272 26.463 26.463 200 1HB GLN 33 HB2 GLN 33 20.150 25.719 25.719 201 2HB GLN 33 HB1 GLN 33 19.271 25.749 25.749 202 1HG GLN 33 HG2 GLN 33 18.778 28.045 28.045 203 2HG GLN 33 HG1 GLN 33 20.396 27.956 27.956 204 1HE2 GLN 33 HE22 GLN 33 19.292 29.101 29.101 205 2HE2 GLN 33 HE21 GLN 33 20.581 28.861 28.861 206 H ILE 34 HN ILE 34 15.595 24.911 24.911 207 HA ILE 34 HA ILE 34 15.873 22.145 22.145 208 HB ILE 34 HB ILE 34 13.794 24.078 24.078 209 1HG1 ILE 34 HG12 ILE 34 13.820 23.960 23.960 210 2HG1 ILE 34 HG11 ILE 34 12.447 23.010 23.010 211 1HG2 ILE 34 HG21 ILE 34 14.031 21.077 21.077 212 2HG2 ILE 34 HG23 ILE 34 12.444 21.845 21.845 213 3HG2 ILE 34 HG22 ILE 34 13.554 22.218 22.218 214 1HD1 ILE 34 HD11 ILE 34 14.326 21.080 21.080 215 2HD1 ILE 34 HD13 ILE 34 14.981 22.108 22.108 216 3HD1 ILE 34 HD12 ILE 34 13.351 21.451 21.451 217 H VAL 35 HN VAL 35 16.163 20.874 20.874 218 HA VAL 35 HA VAL 35 17.152 22.364 22.364 219 HB VAL 35 HB VAL 35 17.761 19.549 19.549 220 1HG1 VAL 35 HG12 VAL 35 18.045 20.870 20.870 221 2HG1 VAL 35 HG11 VAL 35 19.596 20.316 20.316 222 3HG1 VAL 35 HG13 VAL 35 18.271 19.172 19.172 223 1HG2 VAL 35 HG22 VAL 35 19.106 22.200 22.200 224 2HG2 VAL 35 HG21 VAL 35 19.110 20.832 20.832 225 3HG2 VAL 35 HG23 VAL 35 20.134 20.804 20.804 226 H ASN 36 HN ASN 36 15.833 19.099 19.099 227 HA ASN 36 HA ASN 36 13.677 19.677 19.677 228 1HB ASN 36 HB2 ASN 36 16.039 18.217 18.217 229 2HB ASN 36 HB1 ASN 36 14.700 17.071 17.071 230 1HD2 ASN 36 HD22 ASN 36 12.875 19.312 19.312 231 2HD2 ASN 36 HD21 ASN 36 12.604 18.914 18.914 232 H ASN 37 HN ASN 37 12.807 16.981 16.981 233 HA ASN 37 HA ASN 37 11.438 15.460 15.460 234 1HB ASN 37 HB2 ASN 37 13.237 15.915 15.915 235 2HB ASN 37 HB1 ASN 37 12.371 14.447 14.447 236 1HD2 ASN 37 HD22 ASN 37 15.132 13.243 13.243 237 2HD2 ASN 37 HD21 ASN 37 13.758 12.906 12.906 238 H THR 38 HN THR 38 9.484 16.491 16.491 239 HA THR 38 HA THR 38 9.246 18.213 18.213 240 HB THR 38 HB THR 38 8.809 19.512 19.512 241 HG1 THR 38 HG1 THR 38 6.806 20.211 20.211 242 1HG2 THR 38 HG22 THR 38 7.758 17.039 17.039 243 2HG2 THR 38 HG21 THR 38 6.449 18.220 18.220 244 3HG2 THR 38 HG23 THR 38 7.961 18.541 18.541 245 H GLU 39 HN GLU 39 8.328 15.286 15.286 246 HA GLU 39 HA GLU 39 6.061 15.020 15.020 247 1HB GLU 39 HB2 GLU 39 6.215 14.462 14.462 248 2HB GLU 39 HB1 GLU 39 5.702 13.048 13.048 249 1HG GLU 39 HG2 GLU 39 4.370 15.354 15.354 250 2HG GLU 39 HG1 GLU 39 4.157 15.343 15.343 251 H GLY 40 HN GLY 40 8.972 13.623 13.623 252 1HA GLY 40 HA2 GLY 40 8.818 10.976 10.976 253 2HA GLY 40 HA1 GLY 40 10.324 11.887 11.887 254 H ASP 41 HN ASP 41 10.471 10.305 10.305 255 HA ASP 41 HA ASP 41 9.278 11.559 11.559 256 1HB ASP 41 HB2 ASP 41 10.739 8.992 8.992 257 2HB ASP 41 HB1 ASP 41 10.648 9.601 9.601 258 H TRP 42 HN TRP 42 12.207 11.586 11.586 259 HA TRP 42 HA TRP 42 13.457 13.246 13.246 260 1HB TRP 42 HB2 TRP 42 14.737 10.895 10.895 261 2HB TRP 42 HB1 TRP 42 15.663 12.116 12.116 262 HD1 TRP 42 HD1 TRP 42 13.092 9.281 9.281 263 HE1 TRP 42 HE1 TRP 42 13.202 8.784 8.784 264 HE3 TRP 42 HE3 TRP 42 16.112 12.952 12.952 265 HZ2 TRP 42 HZ2 TRP 42 14.497 9.887 9.887 266 HZ3 TRP 42 HZ3 TRP 42 16.808 13.274 13.274 267 HH2 TRP 42 HH2 TRP 42 16.001 11.742 11.742 268 H TRP 43 HN TRP 43 14.375 15.079 15.079 269 HA TRP 43 HA TRP 43 14.716 15.167 15.167 270 1HB TRP 43 HB2 TRP 43 14.145 17.557 17.557 271 2HB TRP 43 HB1 TRP 43 14.016 17.445 17.445 272 HD1 TRP 43 HD1 TRP 43 12.447 14.492 14.492 273 HE1 TRP 43 HE1 TRP 43 10.001 14.653 14.653 274 HE3 TRP 43 HE3 TRP 43 12.462 18.997 18.997 275 HZ2 TRP 43 HZ2 TRP 43 8.174 16.586 16.586 276 HZ3 TRP 43 HZ3 TRP 43 10.432 20.033 20.033 277 HH2 TRP 43 HH2 TRP 43 8.287 18.830 18.830 278 H LEU 44 HN LEU 44 16.442 16.662 16.662 279 HA LEU 44 HA LEU 44 18.763 16.522 16.522 280 1HB LEU 44 HB2 LEU 44 18.956 15.740 15.740 281 2HB LEU 44 HB1 LEU 44 18.670 17.400 17.400 282 HG LEU 44 HG LEU 44 20.849 16.777 16.777 283 1HD1 LEU 44 HD11 LEU 44 20.757 15.659 15.659 284 2HD1 LEU 44 HD13 LEU 44 21.769 17.090 17.090 285 3HD1 LEU 44 HD12 LEU 44 22.197 15.857 15.857 286 1HD2 LEU 44 HD22 LEU 44 20.138 18.998 18.998 287 2HD2 LEU 44 HD21 LEU 44 20.513 19.092 19.092 288 3HD2 LEU 44 HD23 LEU 44 21.802 18.802 18.802 289 H ALA 45 HN ALA 45 19.456 18.315 18.315 290 HA ALA 45 HA ALA 45 18.555 20.972 20.972 291 1HB ALA 45 HB3 ALA 45 17.344 20.115 20.115 292 2HB ALA 45 HB2 ALA 45 18.880 20.334 20.334 293 3HB ALA 45 HB1 ALA 45 18.069 21.719 21.719 294 H HIS 46 HN HIS 46 19.965 22.773 22.773 295 HA HIS 46 HA HIS 46 22.761 21.867 21.867 296 1HB HIS 46 HB2 HIS 46 22.941 22.508 22.508 297 2HB HIS 46 HB1 HIS 46 21.678 23.727 23.727 298 HD1 HIS 46 HD1 HIS 46 25.273 23.364 23.364 299 HD2 HIS 46 HD2 HIS 46 22.517 26.171 26.171 300 HE1 HIS 46 HE1 HIS 46 26.553 25.390 25.390 301 H SER 47 HN SER 47 23.382 22.670 22.670 302 HA SER 47 HA SER 47 21.933 24.733 24.733 303 1HB SER 47 HB2 SER 47 24.486 23.237 23.237 304 2HB SER 47 HB1 SER 47 24.215 24.713 24.713 305 HG SER 47 HG SER 47 23.074 22.273 22.273 306 H LEU 48 HN LEU 48 22.232 26.931 26.931 307 HA LEU 48 HA LEU 48 24.124 28.037 28.037 308 1HB LEU 48 HB2 LEU 48 22.083 29.342 29.342 309 2HB LEU 48 HB1 LEU 48 23.070 30.219 30.219 310 HG LEU 48 HG LEU 48 21.388 27.857 27.857 311 1HD1 LEU 48 HD11 LEU 48 19.991 29.627 29.627 312 2HD1 LEU 48 HD13 LEU 48 20.510 30.754 30.754 313 3HD1 LEU 48 HD12 LEU 48 19.559 29.332 29.332 314 1HD2 LEU 48 HD21 LEU 48 22.880 30.097 30.097 315 2HD2 LEU 48 HD23 LEU 48 22.789 28.395 28.395 316 3HD2 LEU 48 HD22 LEU 48 21.438 29.475 29.475 317 H THR 49 HN THR 49 24.714 26.863 26.863 318 HA THR 49 HA THR 49 26.101 29.163 29.163 319 HB THR 49 HB THR 49 25.847 26.248 26.248 320 HG1 THR 49 HG1 THR 49 24.915 28.699 28.699 321 1HG2 THR 49 HG21 THR 49 27.415 28.480 28.480 322 2HG2 THR 49 HG23 THR 49 27.009 26.959 26.959 323 3HG2 THR 49 HG22 THR 49 28.054 26.959 26.959 324 H THR 50 HN THR 50 27.382 25.874 25.874 325 HA THR 50 HA THR 50 29.976 27.053 27.053 326 HB THR 50 HB THR 50 29.100 24.195 24.195 327 HG1 THR 50 HG1 THR 50 29.543 24.759 24.759 328 1HG2 THR 50 HG23 THR 50 31.666 25.373 25.373 329 2HG2 THR 50 HG22 THR 50 31.726 23.968 23.968 330 3HG2 THR 50 HG21 THR 50 30.864 23.876 23.876 331 H GLY 51 HN GLY 51 27.829 24.504 24.504 332 1HA GLY 51 HA2 GLY 51 27.185 25.006 25.006 333 2HA GLY 51 HA1 GLY 51 28.922 25.180 25.180 334 H GLN 52 HN GLN 52 26.881 22.795 22.795 335 HA GLN 52 HA GLN 52 28.276 20.670 20.670 336 1HB GLN 52 HB2 GLN 52 27.249 20.294 20.294 337 2HB GLN 52 HB1 GLN 52 28.378 19.276 19.276 338 1HG GLN 52 HG2 GLN 52 29.033 22.156 22.156 339 2HG GLN 52 HG1 GLN 52 29.355 20.882 20.882 340 1HE2 GLN 52 HE22 GLN 52 32.490 20.900 20.900 341 2HE2 GLN 52 HE21 GLN 52 31.705 21.666 21.666 342 H THR 53 HN THR 53 26.957 19.034 19.034 343 HA THR 53 HA THR 53 24.091 19.611 19.611 344 HB THR 53 HB THR 53 25.847 17.460 17.460 345 HG1 THR 53 HG1 THR 53 24.515 19.770 19.770 346 1HG2 THR 53 HG21 THR 53 22.843 17.676 17.676 347 2HG2 THR 53 HG23 THR 53 23.656 16.909 16.909 348 3HG2 THR 53 HG22 THR 53 23.855 16.255 16.255 349 H GLY 54 HN GLY 54 22.445 18.042 18.042 350 1HA GLY 54 HA2 GLY 54 23.084 15.728 15.728 351 2HA GLY 54 HA1 GLY 54 22.743 17.097 17.097 352 H TYR 55 HN TYR 55 21.325 14.522 14.522 353 HA TYR 55 HA TYR 55 18.827 15.621 15.621 354 1HB TYR 55 HB2 TYR 55 19.115 12.856 12.856 355 2HB TYR 55 HB1 TYR 55 18.095 13.393 13.393 356 HD1 TYR 55 HD1 TYR 55 19.666 14.723 14.723 357 HD2 TYR 55 HD2 TYR 55 20.893 11.510 11.510 358 HE1 TYR 55 HE1 TYR 55 21.437 14.155 14.155 359 HE2 TYR 55 HE2 TYR 55 22.665 10.943 10.943 360 HH TYR 55 HH TYR 55 22.755 11.907 11.907 361 H ILE 56 HN ILE 56 17.721 16.904 16.904 362 HA ILE 56 HA ILE 56 17.589 16.174 16.174 363 HB ILE 56 HB ILE 56 16.244 18.235 18.235 364 1HG1 ILE 56 HG12 ILE 56 16.431 19.445 19.445 365 2HG1 ILE 56 HG11 ILE 56 15.950 17.792 17.792 366 1HG2 ILE 56 HG22 ILE 56 18.835 18.246 18.246 367 2HG2 ILE 56 HG21 ILE 56 18.011 19.776 19.776 368 3HG2 ILE 56 HG23 ILE 56 18.514 18.761 18.761 369 1HD1 ILE 56 HD11 ILE 56 14.367 18.412 18.412 370 2HD1 ILE 56 HD13 ILE 56 14.416 19.930 19.930 371 3HD1 ILE 56 HD12 ILE 56 13.845 18.460 18.460 372 HA PRO 57 HA PRO 57 13.945 13.743 13.743 373 1HB PRO 57 HB2 PRO 57 12.969 14.621 14.621 374 2HB PRO 57 HB1 PRO 57 13.826 13.121 13.121 375 1HG PRO 57 HG2 PRO 57 14.829 15.429 15.429 376 2HG PRO 57 HG1 PRO 57 15.675 13.918 13.918 377 1HD PRO 57 HD1 PRO 57 16.098 16.504 16.504 378 2HD PRO 57 HD2 PRO 57 16.947 14.987 14.987 379 H SER 58 HN SER 58 11.877 14.130 14.130 380 HA SER 58 HA SER 58 11.045 16.865 16.865 381 1HB SER 58 HB2 SER 58 9.547 15.946 15.946 382 2HB SER 58 HB1 SER 58 10.513 14.490 14.490 383 HG SER 58 HG SER 58 8.472 13.880 13.880 384 H ASN 59 HN ASN 59 10.325 14.435 14.435 385 HA ASN 59 HA ASN 59 7.986 15.870 15.870 386 1HB ASN 59 HB2 ASN 59 7.952 14.124 14.124 387 2HB ASN 59 HB1 ASN 59 8.199 13.387 13.387 388 1HD2 ASN 59 HD22 ASN 59 10.760 12.254 12.254 389 2HD2 ASN 59 HD21 ASN 59 9.087 12.502 12.502 390 H TYR 60 HN TYR 60 11.000 16.869 16.869 391 HA TYR 60 HA TYR 60 10.889 17.816 17.816 392 1HB TYR 60 HB2 TYR 60 13.147 16.694 16.694 393 2HB TYR 60 HB1 TYR 60 13.514 18.028 18.028 394 HD1 TYR 60 HD2 TYR 60 11.470 14.879 14.879 395 HD2 TYR 60 HD1 TYR 60 14.105 17.432 17.432 396 HE1 TYR 60 HE2 TYR 60 11.420 13.330 13.330 397 HE2 TYR 60 HE1 TYR 60 14.055 15.884 15.884 398 HH TYR 60 HH TYR 60 12.590 12.741 12.741 399 H VAL 61 HN VAL 61 10.877 18.677 18.677 400 HA VAL 61 HA VAL 61 11.558 21.493 21.493 401 HB VAL 61 HB VAL 61 13.310 20.534 20.534 402 1HG1 VAL 61 HG13 VAL 61 10.923 19.758 19.758 403 2HG1 VAL 61 HG12 VAL 61 12.406 20.167 20.167 404 3HG1 VAL 61 HG11 VAL 61 12.402 18.850 18.850 405 1HG2 VAL 61 HG21 VAL 61 12.606 22.934 22.934 406 2HG2 VAL 61 HG23 VAL 61 13.356 22.257 22.257 407 3HG2 VAL 61 HG22 VAL 61 11.605 22.443 22.443 408 H ALA 62 HN ALA 62 10.566 23.057 23.057 409 HA ALA 62 HA ALA 62 8.167 22.158 22.158 410 1HB ALA 62 HB1 ALA 62 8.038 23.309 23.309 411 2HB ALA 62 HB3 ALA 62 6.967 24.072 24.072 412 3HB ALA 62 HB2 ALA 62 6.849 22.339 22.339 413 HA PRO 63 HA PRO 63 9.272 25.643 25.643 414 1HB PRO 63 HB2 PRO 63 6.560 26.111 26.111 415 2HB PRO 63 HB1 PRO 63 7.849 25.303 25.303 416 1HG PRO 63 HG2 PRO 63 5.534 24.100 24.100 417 2HG PRO 63 HG1 PRO 63 6.821 23.292 23.292 418 1HD PRO 63 HD1 PRO 63 6.351 23.238 23.238 419 2HD PRO 63 HD2 PRO 63 7.640 22.424 22.424 420 H SER 64 HN SER 64 9.761 27.268 27.268 421 HA SER 64 HA SER 64 7.713 29.312 29.312 422 1HB SER 64 HB2 SER 64 7.649 29.265 29.265 423 2HB SER 64 HB1 SER 64 7.294 27.628 27.628 424 HG SER 64 HG SER 64 9.046 28.160 28.160 425 1H ALA 71 HT1 ALA 71 7.348 13.237 13.237 426 2H ALA 71 HT3 ALA 71 5.654 13.301 13.301 427 3H ALA 71 HT2 ALA 71 6.406 12.742 12.742 428 HA ALA 71 HA ALA 71 5.721 14.921 14.921 429 1HB ALA 71 HB2 ALA 71 6.987 15.619 15.619 430 2HB ALA 71 HB1 ALA 71 6.379 16.806 16.806 431 3HB ALA 71 HB3 ALA 71 5.268 15.667 15.667 432 H PHE 72 HN PHE 72 7.330 14.172 14.172 433 HA PHE 72 HA PHE 72 9.774 15.819 15.819 434 1HB PHE 72 HB2 PHE 72 10.053 13.313 13.313 435 2HB PHE 72 HB1 PHE 72 10.231 12.982 12.982 436 HD1 PHE 72 HD1 PHE 72 11.280 15.881 15.881 437 HD2 PHE 72 HD2 PHE 72 12.516 12.777 12.777 438 HE1 PHE 72 HE1 PHE 72 13.582 16.733 16.733 439 HE2 PHE 72 HE2 PHE 72 14.817 13.633 13.633 440 HZ PHE 72 HZ PHE 72 15.353 15.610 15.610 441 H ALA 73 HN ALA 73 11.078 15.060 15.060 442 HA ALA 73 HA ALA 73 9.351 15.915 15.915 443 1HB ALA 73 HB3 ALA 73 11.804 16.306 16.306 444 2HB ALA 73 HB2 ALA 73 12.066 14.571 14.571 445 3HB ALA 73 HB1 ALA 73 11.280 15.486 15.486 446 HA PRO 74 HA PRO 74 7.458 12.193 12.193 447 1HB PRO 74 HB2 PRO 74 7.750 12.771 12.771 448 2HB PRO 74 HB1 PRO 74 6.315 12.982 12.982 449 1HG PRO 74 HG2 PRO 74 8.050 15.034 15.034 450 2HG PRO 74 HG1 PRO 74 6.607 15.247 15.247 451 1HD PRO 74 HD1 PRO 74 9.364 15.600 15.600 452 2HD PRO 74 HD2 PRO 74 7.916 15.805 15.805 453 HA PRO 75 HA PRO 75 10.741 9.393 9.393 454 1HB PRO 75 HB2 PRO 75 9.012 7.518 7.518 455 2HB PRO 75 HB1 PRO 75 9.618 7.448 7.448 456 1HG PRO 75 HG2 PRO 75 6.933 8.052 8.052 457 2HG PRO 75 HG1 PRO 75 7.537 7.975 7.975 458 1HD PRO 75 HD1 PRO 75 6.818 10.323 10.323 459 2HD PRO 75 HD2 PRO 75 7.423 10.247 10.247 460 H LEU 76 HN LEU 76 11.809 8.329 8.329 461 HA LEU 76 HA LEU 76 11.421 9.975 9.975 462 1HB LEU 76 HB2 LEU 76 13.508 7.863 7.863 463 2HB LEU 76 HB1 LEU 76 13.531 8.960 8.960 464 HG LEU 76 HG LEU 76 13.426 9.965 9.965 465 1HD1 LEU 76 HD12 LEU 76 15.667 8.801 8.801 466 2HD1 LEU 76 HD11 LEU 76 15.995 10.422 10.422 467 3HD1 LEU 76 HD13 LEU 76 15.527 9.138 9.138 468 1HD2 LEU 76 HD22 LEU 76 13.186 11.178 11.178 469 2HD2 LEU 76 HD21 LEU 76 13.384 11.991 11.991 470 3HD2 LEU 76 HD23 LEU 76 14.799 11.593 11.593 471 HA PRO 77 HA PRO 77 9.040 6.944 6.944 472 1HB PRO 77 HB2 PRO 77 10.128 7.670 7.670 473 2HB PRO 77 HB1 PRO 77 8.576 8.150 8.150 474 1HG PRO 77 HG2 PRO 77 10.930 9.782 9.782 475 2HG PRO 77 HG1 PRO 77 9.374 10.265 10.265 476 1HD PRO 77 HD1 PRO 77 11.869 9.841 9.841 477 2HD PRO 77 HD2 PRO 77 10.310 10.336 10.336 478 H ARG 78 HN ARG 78 9.603 5.379 5.379 479 HA ARG 78 HA ARG 78 11.958 3.840 3.840 480 1HB ARG 78 HB2 ARG 78 9.470 3.059 3.059 481 2HB ARG 78 HB1 ARG 78 10.401 2.855 2.855 482 1HG ARG 78 HG2 ARG 78 11.177 0.912 0.912 483 2HG ARG 78 HG1 ARG 78 12.036 1.844 1.844 484 1HD ARG 78 HD2 ARG 78 9.268 0.635 0.635 485 2HD ARG 78 HD1 ARG 78 10.670 0.292 0.292 486 HE ARG 78 HE ARG 78 8.849 2.548 2.548 487 1HH1 ARG 78 HH21 ARG 78 12.038 1.310 1.310 488 2HH1 ARG 78 HH22 ARG 78 12.392 2.371 2.371 489 1HH2 ARG 78 HH11 ARG 78 9.300 3.936 3.936 490 2HH2 ARG 78 HH12 ARG 78 10.845 3.855 3.855 491 H ARG 79 HN ARG 79 13.777 4.878 4.878 492 HA ARG 79 HA ARG 79 14.015 6.143 6.143 493 1HB ARG 79 HB2 ARG 79 15.788 5.276 5.276 494 2HB ARG 79 HB1 ARG 79 16.491 4.858 4.858 495 1HG ARG 79 HG2 ARG 79 15.861 7.266 7.266 496 2HG ARG 79 HG1 ARG 79 15.663 7.576 7.576 497 1HD ARG 79 HD2 ARG 79 18.129 6.149 6.149 498 2HD ARG 79 HD1 ARG 79 18.077 7.577 7.577 499 HE ARG 79 HE ARG 79 17.259 8.508 8.508 500 1HH1 ARG 79 HH21 ARG 79 19.955 6.767 6.767 501 2HH1 ARG 79 HH22 ARG 79 21.075 7.398 7.398 502 1HH2 ARG 79 HH11 ARG 79 18.711 9.335 9.335 503 2HH2 ARG 79 HH12 ARG 79 20.373 8.849 8.849 Start of MODEL 7 1 1H THR 9 HT1 THR 9 13.366 27.192 27.192 2 2H THR 9 HT3 THR 9 12.716 28.385 28.385 3 3H THR 9 HT2 THR 9 14.356 28.443 28.443 4 HA THR 9 HA THR 9 13.957 29.427 29.427 5 HB THR 9 HB THR 9 11.106 29.892 29.892 6 HG1 THR 9 HG1 THR 9 11.891 31.282 31.282 7 1HG2 THR 9 HG21 THR 9 12.973 31.124 31.124 8 2HG2 THR 9 HG23 THR 9 13.069 32.092 32.092 9 3HG2 THR 9 HG22 THR 9 11.529 31.914 31.914 10 H PHE 10 HN PHE 10 13.830 26.850 26.850 11 HA PHE 10 HA PHE 10 11.252 26.445 26.445 12 1HB PHE 10 HB2 PHE 10 13.387 24.583 24.583 13 2HB PHE 10 HB1 PHE 10 12.342 24.080 24.080 14 HD1 PHE 10 HD1 PHE 10 11.477 26.263 26.263 15 HD2 PHE 10 HD2 PHE 10 10.911 22.478 22.478 16 HE1 PHE 10 HE1 PHE 10 9.681 25.743 25.743 17 HE2 PHE 10 HE2 PHE 10 9.116 21.961 21.961 18 HZ PHE 10 HZ PHE 10 8.500 23.592 23.592 19 H VAL 11 HN VAL 11 11.351 25.805 25.805 20 HA VAL 11 HA VAL 11 13.925 26.558 26.558 21 HB VAL 11 HB VAL 11 11.157 26.941 26.941 22 1HG1 VAL 11 HG11 VAL 11 13.193 26.796 26.796 23 2HG1 VAL 11 HG13 VAL 11 13.797 28.245 28.245 24 3HG1 VAL 11 HG12 VAL 11 12.293 28.307 28.307 25 1HG2 VAL 11 HG23 VAL 11 12.919 28.907 28.907 26 2HG2 VAL 11 HG22 VAL 11 11.332 28.327 28.327 27 3HG2 VAL 11 HG21 VAL 11 11.483 29.352 29.352 28 H ALA 12 HN ALA 12 14.565 25.247 25.247 29 HA ALA 12 HA ALA 12 13.444 22.550 22.550 30 1HB ALA 12 HB1 ALA 12 15.723 23.924 23.924 31 2HB ALA 12 HB3 ALA 12 15.175 22.341 22.341 32 3HB ALA 12 HB2 ALA 12 15.767 22.544 22.544 33 H LEU 13 HN LEU 13 11.528 22.257 22.257 34 HA LEU 13 HA LEU 13 10.700 23.918 23.918 35 1HB LEU 13 HB2 LEU 13 9.503 21.259 21.259 36 2HB LEU 13 HB1 LEU 13 8.711 22.592 22.592 37 HG LEU 13 HG LEU 13 9.680 22.564 22.564 38 1HD1 LEU 13 HD13 LEU 13 7.169 22.001 22.001 39 2HD1 LEU 13 HD12 LEU 13 6.996 23.405 23.405 40 3HD1 LEU 13 HD11 LEU 13 7.571 21.874 21.874 41 1HD2 LEU 13 HD22 LEU 13 10.135 24.744 24.744 42 2HD2 LEU 13 HD21 LEU 13 8.846 24.878 24.878 43 3HD2 LEU 13 HD23 LEU 13 8.453 24.826 24.826 44 H TYR 14 HN TYR 14 11.671 20.474 20.474 45 HA TYR 14 HA TYR 14 12.043 20.483 20.483 46 1HB TYR 14 HB2 TYR 14 12.115 17.970 17.970 47 2HB TYR 14 HB1 TYR 14 11.579 18.206 18.206 48 HD1 TYR 14 HD1 TYR 14 9.860 20.713 20.713 49 HD2 TYR 14 HD2 TYR 14 10.086 16.856 16.856 50 HE1 TYR 14 HE1 TYR 14 7.559 20.953 20.953 51 HE2 TYR 14 HE2 TYR 14 7.779 17.089 17.089 52 HH TYR 14 HH TYR 14 6.241 19.594 19.594 53 H ASP 15 HN ASP 15 13.907 18.925 18.925 54 HA ASP 15 HA ASP 15 16.319 19.832 19.832 55 1HB ASP 15 HB2 ASP 15 16.409 20.020 20.020 56 2HB ASP 15 HB1 ASP 15 15.892 18.347 18.347 57 H TYR 16 HN TYR 16 17.096 18.608 18.608 58 HA TYR 16 HA TYR 16 16.471 15.715 15.715 59 1HB TYR 16 HB2 TYR 16 16.203 17.043 17.043 60 2HB TYR 16 HB1 TYR 16 17.883 17.569 17.569 61 HD1 TYR 16 HD1 TYR 16 15.826 14.460 14.460 62 HD2 TYR 16 HD2 TYR 16 19.536 16.286 16.286 63 HE1 TYR 16 HE1 TYR 16 16.482 12.455 12.455 64 HE2 TYR 16 HE2 TYR 16 20.211 14.266 14.266 65 HH TYR 16 HH TYR 16 18.103 11.904 11.904 66 H GLU 17 HN GLU 17 17.883 14.373 14.373 67 HA GLU 17 HA GLU 17 20.746 15.199 15.199 68 1HB GLU 17 HB2 GLU 17 19.446 14.676 14.676 69 2HB GLU 17 HB1 GLU 17 19.364 13.004 13.004 70 1HG GLU 17 HG2 GLU 17 21.853 12.963 12.963 71 2HG GLU 17 HG1 GLU 17 21.891 14.602 14.602 72 H SER 18 HN SER 18 21.388 14.457 14.457 73 HA SER 18 HA SER 18 20.796 12.127 12.127 74 1HB SER 18 HB2 SER 18 22.528 13.973 13.973 75 2HB SER 18 HB1 SER 18 23.676 12.964 12.964 76 HG SER 18 HG SER 18 23.173 11.262 11.262 77 H ARG 19 HN ARG 19 22.109 10.049 10.049 78 HA ARG 19 HA ARG 19 22.806 9.148 9.148 79 1HB ARG 19 HB2 ARG 19 21.880 7.487 7.487 80 2HB ARG 19 HB1 ARG 19 22.173 6.897 6.897 81 1HG ARG 19 HG2 ARG 19 20.404 8.418 8.418 82 2HG ARG 19 HG1 ARG 19 20.093 8.955 8.955 83 1HD ARG 19 HD2 ARG 19 18.523 7.153 7.153 84 2HD ARG 19 HD1 ARG 19 19.412 6.728 6.728 85 HE ARG 19 HE ARG 19 20.745 5.853 5.853 86 1HH1 ARG 19 HH21 ARG 19 18.362 5.173 5.173 87 2HH1 ARG 19 HH22 ARG 19 18.433 3.459 3.459 88 1HH2 ARG 19 HH11 ARG 19 20.844 3.622 3.622 89 2HH2 ARG 19 HH12 ARG 19 19.837 2.580 2.580 90 H THR 20 HN THR 20 23.821 9.169 9.169 91 HA THR 20 HA THR 20 26.515 8.274 8.274 92 HB THR 20 HB THR 20 25.127 6.466 6.466 93 HG1 THR 20 HG1 THR 20 27.020 5.700 5.700 94 1HG2 THR 20 HG21 THR 20 24.706 8.498 8.498 95 2HG2 THR 20 HG23 THR 20 25.980 7.557 7.557 96 3HG2 THR 20 HG22 THR 20 24.461 6.781 6.781 97 H GLU 21 HN GLU 21 27.714 8.472 8.472 98 HA GLU 21 HA GLU 21 27.827 11.414 11.414 99 1HB GLU 21 HB2 GLU 21 29.562 9.128 9.128 100 2HB GLU 21 HB1 GLU 21 29.632 10.552 10.552 101 1HG GLU 21 HG2 GLU 21 31.184 11.220 11.220 102 2HG GLU 21 HG1 GLU 21 29.737 11.767 11.767 103 H THR 22 HN THR 22 25.388 10.495 10.495 104 HA THR 22 HA THR 22 25.655 10.545 10.545 105 HB THR 22 HB THR 22 23.187 9.742 9.742 106 HG1 THR 22 HG1 THR 22 25.533 8.351 8.351 107 1HG2 THR 22 HG21 THR 22 24.125 9.652 9.652 108 2HG2 THR 22 HG23 THR 22 23.090 8.342 8.342 109 3HG2 THR 22 HG22 THR 22 22.522 10.011 10.011 110 H ASP 23 HN ASP 23 23.670 11.791 11.791 111 HA ASP 23 HA ASP 23 23.072 14.186 14.186 112 1HB ASP 23 HB2 ASP 23 21.265 13.358 13.358 113 2HB ASP 23 HB1 ASP 23 20.875 14.232 14.232 114 H LEU 24 HN LEU 24 22.792 16.203 16.203 115 HA LEU 24 HA LEU 24 24.752 16.281 16.281 116 1HB LEU 24 HB2 LEU 24 23.124 18.621 18.621 117 2HB LEU 24 HB1 LEU 24 24.723 18.633 18.633 118 HG LEU 24 HG LEU 24 24.200 17.266 17.266 119 1HD1 LEU 24 HD13 LEU 24 24.242 20.112 20.112 120 2HD1 LEU 24 HD12 LEU 24 25.560 19.669 19.669 121 3HD1 LEU 24 HD11 LEU 24 23.892 19.302 19.302 122 1HD2 LEU 24 HD21 LEU 24 26.441 17.571 17.571 123 2HD2 LEU 24 HD23 LEU 24 26.361 16.689 16.689 124 3HD2 LEU 24 HD22 LEU 24 26.794 18.399 18.399 125 H SER 25 HN SER 25 24.055 17.800 17.800 126 HA SER 25 HA SER 25 21.353 16.897 16.897 127 1HB SER 25 HB2 SER 25 24.000 17.125 17.125 128 2HB SER 25 HB1 SER 25 22.617 17.649 17.649 129 HG SER 25 HG SER 25 23.193 15.127 15.127 130 H PHE 26 HN PHE 26 19.897 18.568 18.568 131 HA PHE 26 HA PHE 26 20.977 21.306 21.306 132 1HB PHE 26 HB2 PHE 26 19.174 22.218 22.218 133 2HB PHE 26 HB1 PHE 26 20.042 21.010 21.010 134 HD1 PHE 26 HD2 PHE 26 16.987 21.606 21.606 135 HD2 PHE 26 HD1 PHE 26 18.908 19.044 19.044 136 HE1 PHE 26 HE2 PHE 26 14.858 20.432 20.432 137 HE2 PHE 26 HE1 PHE 26 16.780 17.869 17.869 138 HZ PHE 26 HZ PHE 26 14.755 18.573 18.573 139 H LYS 27 HN LYS 27 19.290 22.784 22.784 140 HA LYS 27 HA LYS 27 17.550 21.216 21.216 141 1HB LYS 27 HB2 LYS 27 19.610 23.302 23.302 142 2HB LYS 27 HB1 LYS 27 18.156 23.254 23.254 143 1HG LYS 27 HG2 LYS 27 18.568 20.819 20.819 144 2HG LYS 27 HG1 LYS 27 20.083 20.965 20.965 145 1HD LYS 27 HD2 LYS 27 21.079 22.287 22.287 146 2HD LYS 27 HD1 LYS 27 19.530 22.843 22.843 147 1HE LYS 27 HE2 LYS 27 19.327 21.059 21.059 148 2HE LYS 27 HE1 LYS 27 19.911 19.928 19.928 149 1HZ LYS 27 HZ2 LYS 27 22.061 21.526 21.526 150 2HZ LYS 27 HZ1 LYS 27 21.322 21.107 21.107 151 3HZ LYS 27 HZ3 LYS 27 21.829 19.892 19.892 152 H LYS 28 HN LYS 28 16.002 22.880 22.880 153 HA LYS 28 HA LYS 28 14.466 24.157 24.157 154 1HB LYS 28 HB2 LYS 28 13.133 23.292 23.292 155 2HB LYS 28 HB1 LYS 28 14.208 23.880 23.880 156 1HG LYS 28 HG2 LYS 28 12.096 25.193 25.193 157 2HG LYS 28 HG1 LYS 28 13.515 26.188 26.188 158 1HD LYS 28 HD2 LYS 28 12.990 25.395 25.395 159 2HD LYS 28 HD1 LYS 28 11.358 25.298 25.298 160 1HE LYS 28 HE2 LYS 28 12.814 27.735 27.735 161 2HE LYS 28 HE1 LYS 28 12.525 27.599 27.599 162 1HZ LYS 28 HZ3 LYS 28 10.169 27.088 27.088 163 2HZ LYS 28 HZ2 LYS 28 10.514 27.496 27.496 164 3HZ LYS 28 HZ1 LYS 28 10.656 28.667 28.667 165 H GLY 29 HN GLY 29 15.273 26.006 26.006 166 1HA GLY 29 HA2 GLY 29 15.235 28.515 28.515 167 2HA GLY 29 HA1 GLY 29 16.664 27.969 27.969 168 H GLU 30 HN GLU 30 17.461 26.140 26.140 169 HA GLU 30 HA GLU 30 18.798 28.178 28.178 170 1HB GLU 30 HB2 GLU 30 20.010 26.189 26.189 171 2HB GLU 30 HB1 GLU 30 19.153 25.174 25.174 172 1HG GLU 30 HG2 GLU 30 20.254 26.120 26.120 173 2HG GLU 30 HG1 GLU 30 20.662 27.594 27.594 174 H ARG 31 HN ARG 31 18.474 28.374 28.374 175 HA ARG 31 HA ARG 31 16.051 27.008 27.008 176 1HB ARG 31 HB2 ARG 31 17.623 29.357 29.357 177 2HB ARG 31 HB1 ARG 31 16.105 28.737 28.737 178 1HG ARG 31 HG2 ARG 31 15.135 30.266 30.266 179 2HG ARG 31 HG1 ARG 31 15.472 29.095 29.095 180 1HD ARG 31 HD2 ARG 31 16.445 31.049 31.049 181 2HD ARG 31 HD1 ARG 31 17.820 30.253 30.253 182 HE ARG 31 HE ARG 31 16.577 31.953 31.953 183 1HH1 ARG 31 HH21 ARG 31 18.359 32.038 32.038 184 2HH1 ARG 31 HH22 ARG 31 19.086 33.574 33.574 185 1HH2 ARG 31 HH11 ARG 31 17.519 33.957 33.957 186 2HH2 ARG 31 HH12 ARG 31 18.612 34.658 34.658 187 H LEU 32 HN LEU 32 16.149 25.673 25.673 188 HA LEU 32 HA LEU 32 18.898 25.092 25.092 189 1HB LEU 32 HB2 LEU 32 16.569 23.340 23.340 190 2HB LEU 32 HB1 LEU 32 17.599 22.863 22.863 191 HG LEU 32 HG LEU 32 19.493 23.512 23.512 192 1HD1 LEU 32 HD12 LEU 32 17.032 22.597 22.597 193 2HD1 LEU 32 HD11 LEU 32 18.658 22.382 22.382 194 3HD1 LEU 32 HD13 LEU 32 18.044 24.004 24.004 195 1HD2 LEU 32 HD23 LEU 32 18.138 21.027 21.027 196 2HD2 LEU 32 HD22 LEU 32 19.856 21.427 21.427 197 3HD2 LEU 32 HD21 LEU 32 19.066 20.889 20.889 198 H GLN 33 HN GLN 33 19.129 24.839 24.839 199 HA GLN 33 HA GLN 33 16.977 26.148 26.148 200 1HB GLN 33 HB2 GLN 33 19.524 26.704 26.704 201 2HB GLN 33 HB1 GLN 33 19.625 25.248 25.248 202 1HG GLN 33 HG2 GLN 33 18.859 26.400 26.400 203 2HG GLN 33 HG1 GLN 33 17.376 26.774 26.774 204 1HE2 GLN 33 HE22 GLN 33 18.412 30.163 30.163 205 2HE2 GLN 33 HE21 GLN 33 17.306 28.986 28.986 206 H ILE 34 HN ILE 34 15.447 24.431 24.431 207 HA ILE 34 HA ILE 34 15.853 21.747 21.747 208 HB ILE 34 HB ILE 34 13.760 23.538 23.538 209 1HG1 ILE 34 HG12 ILE 34 13.687 23.685 23.685 210 2HG1 ILE 34 HG11 ILE 34 12.348 22.671 22.671 211 1HG2 ILE 34 HG23 ILE 34 14.131 20.556 20.556 212 2HG2 ILE 34 HG22 ILE 34 12.506 21.236 21.236 213 3HG2 ILE 34 HG21 ILE 34 13.630 21.532 21.532 214 1HD1 ILE 34 HD11 ILE 34 14.418 20.855 20.855 215 2HD1 ILE 34 HD13 ILE 34 14.673 21.973 21.973 216 3HD1 ILE 34 HD12 ILE 34 13.129 21.139 21.139 217 H VAL 35 HN VAL 35 16.001 20.522 20.522 218 HA VAL 35 HA VAL 35 17.241 22.109 22.109 219 HB VAL 35 HB VAL 35 17.790 19.277 19.277 220 1HG1 VAL 35 HG13 VAL 35 18.683 20.801 20.801 221 2HG1 VAL 35 HG12 VAL 35 19.564 19.405 19.405 222 3HG1 VAL 35 HG11 VAL 35 17.899 19.222 19.222 223 1HG2 VAL 35 HG23 VAL 35 19.005 21.901 21.901 224 2HG2 VAL 35 HG22 VAL 35 19.289 20.380 20.380 225 3HG2 VAL 35 HG21 VAL 35 20.155 20.730 20.730 226 H ASN 36 HN ASN 36 15.476 19.054 19.054 227 HA ASN 36 HA ASN 36 13.638 19.701 19.701 228 1HB ASN 36 HB2 ASN 36 16.000 18.288 18.288 229 2HB ASN 36 HB1 ASN 36 14.711 17.085 17.085 230 1HD2 ASN 36 HD22 ASN 36 14.842 19.874 19.874 231 2HD2 ASN 36 HD21 ASN 36 15.987 19.869 19.869 232 H ASN 37 HN ASN 37 12.867 16.946 16.946 233 HA ASN 37 HA ASN 37 11.740 15.150 15.150 234 1HB ASN 37 HB2 ASN 37 13.452 15.711 15.711 235 2HB ASN 37 HB1 ASN 37 11.997 16.334 16.334 236 1HD2 ASN 37 HD22 ASN 37 12.378 12.306 12.306 237 2HD2 ASN 37 HD21 ASN 37 13.447 13.389 13.389 238 H THR 38 HN THR 38 10.980 17.764 17.764 239 HA THR 38 HA THR 38 8.809 18.444 18.444 240 HB THR 38 HB THR 38 9.720 19.958 19.958 241 HG1 THR 38 HG1 THR 38 7.932 20.394 20.394 242 1HG2 THR 38 HG23 THR 38 8.381 17.986 17.986 243 2HG2 THR 38 HG22 THR 38 7.495 19.498 19.498 244 3HG2 THR 38 HG21 THR 38 9.214 19.434 19.434 245 H GLU 39 HN GLU 39 8.823 15.613 15.613 246 HA GLU 39 HA GLU 39 5.938 15.336 15.336 247 1HB GLU 39 HB2 GLU 39 7.694 15.208 15.208 248 2HB GLU 39 HB1 GLU 39 7.109 13.578 13.578 249 1HG GLU 39 HG2 GLU 39 4.790 14.892 14.892 250 2HG GLU 39 HG1 GLU 39 5.591 16.015 16.015 251 H GLY 40 HN GLY 40 9.095 13.732 13.732 252 1HA GLY 40 HA2 GLY 40 7.966 11.201 11.201 253 2HA GLY 40 HA1 GLY 40 9.677 11.631 11.631 254 H ASP 41 HN ASP 41 9.821 10.706 10.706 255 HA ASP 41 HA ASP 41 8.493 12.357 12.357 256 1HB ASP 41 HB2 ASP 41 8.644 9.582 9.582 257 2HB ASP 41 HB1 ASP 41 9.838 9.951 9.951 258 H TRP 42 HN TRP 42 11.484 11.672 11.672 259 HA TRP 42 HA TRP 42 12.910 12.995 12.995 260 1HB TRP 42 HB2 TRP 42 13.637 10.629 10.629 261 2HB TRP 42 HB1 TRP 42 14.938 11.727 11.727 262 HD1 TRP 42 HD1 TRP 42 12.693 9.009 9.009 263 HE1 TRP 42 HE1 TRP 42 13.254 8.791 8.791 264 HE3 TRP 42 HE3 TRP 42 15.541 13.027 13.027 265 HZ2 TRP 42 HZ2 TRP 42 14.799 10.261 10.261 266 HZ3 TRP 42 HZ3 TRP 42 16.565 13.664 13.664 267 HH2 TRP 42 HH2 TRP 42 16.194 12.281 12.281 268 H TRP 43 HN TRP 43 13.844 14.906 14.906 269 HA TRP 43 HA TRP 43 14.169 15.490 15.490 270 1HB TRP 43 HB2 TRP 43 13.759 17.440 17.440 271 2HB TRP 43 HB1 TRP 43 13.866 17.850 17.850 272 HD1 TRP 43 HD1 TRP 43 12.049 14.915 14.915 273 HE1 TRP 43 HE1 TRP 43 9.568 15.381 15.381 274 HE3 TRP 43 HE3 TRP 43 12.148 19.223 19.223 275 HZ2 TRP 43 HZ2 TRP 43 7.740 17.420 17.420 276 HZ3 TRP 43 HZ3 TRP 43 10.104 20.429 20.429 277 HH2 TRP 43 HH2 TRP 43 7.899 19.533 19.533 278 H LEU 44 HN LEU 44 15.958 17.029 17.029 279 HA LEU 44 HA LEU 44 18.279 16.576 16.576 280 1HB LEU 44 HB2 LEU 44 18.535 15.418 15.418 281 2HB LEU 44 HB1 LEU 44 18.249 16.936 16.936 282 HG LEU 44 HG LEU 44 20.452 16.708 16.708 283 1HD1 LEU 44 HD12 LEU 44 20.484 14.948 14.948 284 2HD1 LEU 44 HD11 LEU 44 20.993 16.343 16.343 285 3HD1 LEU 44 HD13 LEU 44 21.953 15.823 15.823 286 1HD2 LEU 44 HD21 LEU 44 19.616 18.571 18.571 287 2HD2 LEU 44 HD23 LEU 44 20.258 18.937 18.937 288 3HD2 LEU 44 HD22 LEU 44 21.342 18.402 18.402 289 H ALA 45 HN ALA 45 18.827 18.470 18.470 290 HA ALA 45 HA ALA 45 18.352 20.992 20.992 291 1HB ALA 45 HB2 ALA 45 17.063 20.432 20.432 292 2HB ALA 45 HB1 ALA 45 18.561 20.997 20.997 293 3HB ALA 45 HB3 ALA 45 17.641 22.066 22.066 294 H HIS 46 HN HIS 46 19.959 22.625 22.625 295 HA HIS 46 HA HIS 46 22.618 21.612 21.612 296 1HB HIS 46 HB2 HIS 46 22.848 22.023 22.023 297 2HB HIS 46 HB1 HIS 46 21.754 23.403 23.403 298 HD1 HIS 46 HD1 HIS 46 25.238 22.540 22.540 299 HD2 HIS 46 HD2 HIS 46 22.934 25.866 25.866 300 HE1 HIS 46 HE1 HIS 46 26.776 24.426 24.426 301 H SER 47 HN SER 47 23.686 22.790 22.790 302 HA SER 47 HA SER 47 22.232 25.008 25.008 303 1HB SER 47 HB2 SER 47 24.889 23.718 23.718 304 2HB SER 47 HB1 SER 47 24.055 24.914 24.914 305 HG SER 47 HG SER 47 22.218 23.313 23.313 306 H LEU 48 HN LEU 48 23.170 27.126 27.126 307 HA LEU 48 HA LEU 48 25.053 27.863 27.863 308 1HB LEU 48 HB2 LEU 48 23.207 29.628 29.628 309 2HB LEU 48 HB1 LEU 48 24.182 30.143 30.143 310 HG LEU 48 HG LEU 48 22.166 27.906 27.906 311 1HD1 LEU 48 HD13 LEU 48 21.676 30.748 30.748 312 2HD1 LEU 48 HD12 LEU 48 21.096 30.202 30.202 313 3HD1 LEU 48 HD11 LEU 48 20.517 29.422 29.422 314 1HD2 LEU 48 HD22 LEU 48 24.091 29.172 29.172 315 2HD2 LEU 48 HD21 LEU 48 23.009 27.829 27.829 316 3HD2 LEU 48 HD23 LEU 48 22.472 29.489 29.489 317 H THR 49 HN THR 49 25.641 26.777 26.777 318 HA THR 49 HA THR 49 27.116 29.078 29.078 319 HB THR 49 HB THR 49 26.634 26.259 26.259 320 HG1 THR 49 HG1 THR 49 25.584 27.712 27.712 321 1HG2 THR 49 HG21 THR 49 28.864 27.345 27.345 322 2HG2 THR 49 HG23 THR 49 27.904 28.539 28.539 323 3HG2 THR 49 HG22 THR 49 27.824 26.837 26.837 324 H THR 50 HN THR 50 28.261 25.769 25.769 325 HA THR 50 HA THR 50 30.888 26.610 26.610 326 HB THR 50 HB THR 50 30.782 25.045 25.045 327 HG1 THR 50 HG1 THR 50 32.503 24.749 24.749 328 1HG2 THR 50 HG22 THR 50 29.010 23.550 23.550 329 2HG2 THR 50 HG21 THR 50 29.958 22.640 22.640 330 3HG2 THR 50 HG23 THR 50 28.799 23.852 23.852 331 H GLY 51 HN GLY 51 28.047 25.271 25.271 332 1HA GLY 51 HA2 GLY 51 27.670 24.924 24.924 333 2HA GLY 51 HA1 GLY 51 29.411 25.018 25.018 334 H GLN 52 HN GLN 52 26.746 22.899 22.899 335 HA GLN 52 HA GLN 52 28.247 20.581 20.581 336 1HB GLN 52 HB2 GLN 52 28.174 21.224 21.224 337 2HB GLN 52 HB1 GLN 52 27.505 19.628 19.628 338 1HG GLN 52 HG2 GLN 52 30.141 20.560 20.560 339 2HG GLN 52 HG1 GLN 52 30.033 19.728 19.728 340 1HE2 GLN 52 HE22 GLN 52 28.900 16.628 16.628 341 2HE2 GLN 52 HE21 GLN 52 28.590 17.590 17.590 342 H THR 53 HN THR 53 26.861 18.640 18.640 343 HA THR 53 HA THR 53 24.065 19.353 19.353 344 HB THR 53 HB THR 53 24.889 16.497 16.497 345 HG1 THR 53 HG1 THR 53 26.691 17.043 17.043 346 1HG2 THR 53 HG22 THR 53 22.699 17.241 17.241 347 2HG2 THR 53 HG21 THR 53 23.516 18.232 18.232 348 3HG2 THR 53 HG23 THR 53 23.656 16.474 16.474 349 H GLY 54 HN GLY 54 22.258 18.327 18.327 350 1HA GLY 54 HA2 GLY 54 22.828 16.895 16.895 351 2HA GLY 54 HA1 GLY 54 22.113 18.494 18.494 352 H TYR 55 HN TYR 55 21.544 15.224 15.224 353 HA TYR 55 HA TYR 55 18.930 15.654 15.654 354 1HB TYR 55 HB2 TYR 55 19.719 13.107 13.107 355 2HB TYR 55 HB1 TYR 55 18.747 13.314 13.314 356 HD1 TYR 55 HD2 TYR 55 20.737 15.456 15.456 357 HD2 TYR 55 HD1 TYR 55 21.248 11.512 11.512 358 HE1 TYR 55 HE2 TYR 55 22.732 15.183 15.183 359 HE2 TYR 55 HE1 TYR 55 23.248 11.240 11.240 360 HH TYR 55 HH TYR 55 24.799 12.361 12.361 361 H ILE 56 HN ILE 56 17.302 16.548 16.548 362 HA ILE 56 HA ILE 56 17.112 15.755 15.755 363 HB ILE 56 HB ILE 56 15.880 17.859 17.859 364 1HG1 ILE 56 HG12 ILE 56 16.567 18.772 18.772 365 2HG1 ILE 56 HG11 ILE 56 15.157 17.731 17.731 366 1HG2 ILE 56 HG21 ILE 56 18.594 17.573 17.573 367 2HG2 ILE 56 HG23 ILE 56 18.151 18.941 18.941 368 3HG2 ILE 56 HG22 ILE 56 17.832 18.995 18.995 369 1HD1 ILE 56 HD13 ILE 56 14.687 19.442 19.442 370 2HD1 ILE 56 HD12 ILE 56 15.610 20.514 20.514 371 3HD1 ILE 56 HD11 ILE 56 14.130 19.755 19.755 372 HA PRO 57 HA PRO 57 13.368 13.644 13.644 373 1HB PRO 57 HB2 PRO 57 12.130 14.469 14.469 374 2HB PRO 57 HB1 PRO 57 12.948 12.939 12.939 375 1HG PRO 57 HG2 PRO 57 13.882 15.151 15.151 376 2HG PRO 57 HG1 PRO 57 14.656 13.584 13.584 377 1HD PRO 57 HD1 PRO 57 15.471 16.132 16.132 378 2HD PRO 57 HD2 PRO 57 16.195 14.541 14.541 379 H SER 58 HN SER 58 11.230 14.135 14.135 380 HA SER 58 HA SER 58 10.736 16.964 16.964 381 1HB SER 58 HB2 SER 58 9.408 16.183 16.183 382 2HB SER 58 HB1 SER 58 10.104 14.608 14.608 383 HG SER 58 HG SER 58 8.215 14.019 14.019 384 H ASN 59 HN ASN 59 10.358 15.316 15.316 385 HA ASN 59 HA ASN 59 7.725 16.585 16.585 386 1HB ASN 59 HB2 ASN 59 9.099 14.137 14.137 387 2HB ASN 59 HB1 ASN 59 7.751 14.922 14.922 388 1HD2 ASN 59 HD22 ASN 59 7.067 12.743 12.743 389 2HD2 ASN 59 HD21 ASN 59 8.654 13.074 13.074 390 H TYR 60 HN TYR 60 11.067 16.766 16.766 391 HA TYR 60 HA TYR 60 10.756 18.024 18.024 392 1HB TYR 60 HB2 TYR 60 13.139 17.144 17.144 393 2HB TYR 60 HB1 TYR 60 13.323 18.179 18.179 394 HD1 TYR 60 HD1 TYR 60 11.120 15.238 15.238 395 HD2 TYR 60 HD2 TYR 60 14.050 16.910 16.910 396 HE1 TYR 60 HE1 TYR 60 10.954 13.273 13.273 397 HE2 TYR 60 HE2 TYR 60 13.886 14.946 14.946 398 HH TYR 60 HH TYR 60 11.425 12.844 12.844 399 H VAL 61 HN VAL 61 10.261 19.040 19.040 400 HA VAL 61 HA VAL 61 11.176 21.791 21.791 401 HB VAL 61 HB VAL 61 12.919 21.139 21.139 402 1HG1 VAL 61 HG13 VAL 61 11.023 19.222 19.222 403 2HG1 VAL 61 HG12 VAL 61 11.531 20.135 20.135 404 3HG1 VAL 61 HG11 VAL 61 12.733 19.317 19.317 405 1HG2 VAL 61 HG22 VAL 61 11.841 23.242 23.242 406 2HG2 VAL 61 HG21 VAL 61 12.525 22.363 22.363 407 3HG2 VAL 61 HG23 VAL 61 10.786 22.322 22.322 408 H ALA 62 HN ALA 62 10.101 23.390 23.390 409 HA ALA 62 HA ALA 62 7.667 22.485 22.485 410 1HB ALA 62 HB2 ALA 62 7.582 23.943 23.943 411 2HB ALA 62 HB1 ALA 62 6.267 24.094 24.094 412 3HB ALA 62 HB3 ALA 62 6.675 22.514 22.514 413 HA PRO 63 HA PRO 63 8.617 26.042 26.042 414 1HB PRO 63 HB2 PRO 63 5.881 26.499 26.499 415 2HB PRO 63 HB1 PRO 63 7.136 25.695 25.695 416 1HG PRO 63 HG2 PRO 63 4.866 24.487 24.487 417 2HG PRO 63 HG1 PRO 63 6.105 23.688 23.688 418 1HD PRO 63 HD1 PRO 63 5.772 23.592 23.592 419 2HD PRO 63 HD2 PRO 63 7.017 22.791 22.791 420 H SER 64 HN SER 64 8.369 28.359 28.359 421 HA SER 64 HA SER 64 6.357 29.741 29.741 422 1HB SER 64 HB2 SER 64 7.028 29.825 29.825 423 2HB SER 64 HB1 SER 64 7.781 28.280 28.280 424 HG SER 64 HG SER 64 9.661 29.171 29.171 425 1H ALA 71 HT2 ALA 71 5.996 11.037 11.037 426 2H ALA 71 HT1 ALA 71 6.078 9.404 9.404 427 3H ALA 71 HT3 ALA 71 5.546 9.822 9.822 428 HA ALA 71 HA ALA 71 7.616 10.186 10.186 429 1HB ALA 71 HB2 ALA 71 7.962 8.332 8.332 430 2HB ALA 71 HB1 ALA 71 9.242 8.621 8.621 431 3HB ALA 71 HB3 ALA 71 7.721 7.891 7.891 432 H PHE 72 HN PHE 72 8.097 12.405 12.405 433 HA PHE 72 HA PHE 72 9.147 14.246 14.246 434 1HB PHE 72 HB2 PHE 72 11.109 12.117 12.117 435 2HB PHE 72 HB1 PHE 72 11.443 13.825 13.825 436 HD1 PHE 72 HD1 PHE 72 9.394 13.652 13.652 437 HD2 PHE 72 HD2 PHE 72 12.971 11.636 11.636 438 HE1 PHE 72 HE1 PHE 72 9.872 13.165 13.165 439 HE2 PHE 72 HE2 PHE 72 13.444 11.152 11.152 440 HZ PHE 72 HZ PHE 72 11.897 11.917 11.917 441 H ALA 73 HN ALA 73 10.508 14.639 14.639 442 HA ALA 73 HA ALA 73 8.652 14.923 14.923 443 1HB ALA 73 HB3 ALA 73 11.584 14.210 14.210 444 2HB ALA 73 HB2 ALA 73 10.566 14.778 14.778 445 3HB ALA 73 HB1 ALA 73 10.888 15.830 15.830 446 HA PRO 74 HA PRO 74 7.369 11.025 11.025 447 1HB PRO 74 HB2 PRO 74 7.594 11.733 11.733 448 2HB PRO 74 HB1 PRO 74 6.134 11.679 11.679 449 1HG PRO 74 HG2 PRO 74 7.535 14.016 14.016 450 2HG PRO 74 HG1 PRO 74 6.065 13.962 13.962 451 1HD PRO 74 HD1 PRO 74 8.712 14.730 14.730 452 2HD PRO 74 HD2 PRO 74 7.244 14.643 14.643 453 HA PRO 75 HA PRO 75 11.128 8.873 8.873 454 1HB PRO 75 HB2 PRO 75 9.731 6.643 6.643 455 2HB PRO 75 HB1 PRO 75 10.405 6.773 6.773 456 1HG PRO 75 HG2 PRO 75 7.620 6.818 6.818 457 2HG PRO 75 HG1 PRO 75 8.294 6.933 6.933 458 1HD PRO 75 HD1 PRO 75 7.085 9.032 9.032 459 2HD PRO 75 HD2 PRO 75 7.760 9.148 9.148 460 H LEU 76 HN LEU 76 12.446 8.455 8.455 461 HA LEU 76 HA LEU 76 11.652 9.736 9.736 462 1HB LEU 76 HB2 LEU 76 13.940 7.787 7.787 463 2HB LEU 76 HB1 LEU 76 13.803 9.041 9.041 464 HG LEU 76 HG LEU 76 13.929 9.555 9.555 465 1HD1 LEU 76 HD12 LEU 76 15.992 9.044 9.044 466 2HD1 LEU 76 HD11 LEU 76 16.130 10.692 10.692 467 3HD1 LEU 76 HD13 LEU 76 16.159 9.330 9.330 468 1HD2 LEU 76 HD23 LEU 76 13.339 11.202 11.202 469 2HD2 LEU 76 HD22 LEU 76 12.979 11.507 11.507 470 3HD2 LEU 76 HD21 LEU 76 14.578 11.880 11.880 471 HA PRO 77 HA PRO 77 9.563 6.264 6.264 472 1HB PRO 77 HB2 PRO 77 9.471 7.411 7.411 473 2HB PRO 77 HB1 PRO 77 8.261 7.613 7.613 474 1HG PRO 77 HG2 PRO 77 10.179 9.572 9.572 475 2HG PRO 77 HG1 PRO 77 8.836 9.824 9.824 476 1HD PRO 77 HD1 PRO 77 11.659 9.687 9.687 477 2HD PRO 77 HD2 PRO 77 10.311 9.961 9.961 478 H ARG 78 HN ARG 78 12.202 5.573 5.573 479 HA ARG 78 HA ARG 78 14.036 4.539 4.539 480 1HB ARG 78 HB2 ARG 78 11.670 3.591 3.591 481 2HB ARG 78 HB1 ARG 78 13.285 2.891 2.891 482 1HG ARG 78 HG2 ARG 78 12.614 3.052 3.052 483 2HG ARG 78 HG1 ARG 78 11.236 2.336 2.336 484 1HD ARG 78 HD2 ARG 78 13.888 1.336 1.336 485 2HD ARG 78 HD1 ARG 78 13.428 0.920 0.920 486 HE ARG 78 HE ARG 78 12.256 -0.182 -0.182 487 1HH1 ARG 78 HH21 ARG 78 11.638 0.848 0.848 488 2HH1 ARG 78 HH22 ARG 78 10.292 -0.221 -0.221 489 1HH2 ARG 78 HH11 ARG 78 10.507 -1.575 -1.575 490 2HH2 ARG 78 HH12 ARG 78 9.653 -1.593 -1.593 491 H ARG 79 HN ARG 79 14.650 3.953 3.953 492 HA ARG 79 HA ARG 79 14.678 6.653 6.653 493 1HB ARG 79 HB2 ARG 79 16.702 4.461 4.461 494 2HB ARG 79 HB1 ARG 79 16.709 5.452 5.452 495 1HG ARG 79 HG2 ARG 79 16.426 7.316 7.316 496 2HG ARG 79 HG1 ARG 79 17.547 6.137 6.137 497 1HD ARG 79 HD2 ARG 79 18.327 6.549 6.549 498 2HD ARG 79 HD1 ARG 79 18.051 8.144 8.144 499 HE ARG 79 HE ARG 79 20.203 6.321 6.321 500 1HH1 ARG 79 HH21 ARG 79 18.074 8.818 8.818 501 2HH1 ARG 79 HH22 ARG 79 19.147 9.373 9.373 502 1HH2 ARG 79 HH11 ARG 79 21.608 7.035 7.035 503 2HH2 ARG 79 HH12 ARG 79 21.145 8.364 8.364 Start of MODEL 8 1 1H THR 9 HT1 THR 9 11.162 29.249 29.249 2 2H THR 9 HT3 THR 9 12.328 30.471 30.471 3 3H THR 9 HT2 THR 9 12.133 29.698 29.698 4 HA THR 9 HA THR 9 13.373 27.941 27.941 5 HB THR 9 HB THR 9 14.108 29.945 29.945 6 HG1 THR 9 HG1 THR 9 15.929 30.056 30.056 7 1HG2 THR 9 HG21 THR 9 15.545 27.457 27.457 8 2HG2 THR 9 HG23 THR 9 16.273 28.696 28.696 9 3HG2 THR 9 HG22 THR 9 14.912 27.746 27.746 10 H PHE 10 HN PHE 10 13.690 26.126 26.126 11 HA PHE 10 HA PHE 10 11.437 25.747 25.747 12 1HB PHE 10 HB2 PHE 10 13.540 23.957 23.957 13 2HB PHE 10 HB1 PHE 10 12.611 23.418 23.418 14 HD1 PHE 10 HD2 PHE 10 11.248 25.703 25.703 15 HD2 PHE 10 HD1 PHE 10 11.377 21.672 21.672 16 HE1 PHE 10 HE2 PHE 10 9.362 25.144 25.144 17 HE2 PHE 10 HE1 PHE 10 9.490 21.115 21.115 18 HZ PHE 10 HZ PHE 10 8.481 22.850 22.850 19 H VAL 11 HN VAL 11 11.917 24.759 24.759 20 HA VAL 11 HA VAL 11 14.557 25.524 25.524 21 HB VAL 11 HB VAL 11 11.960 26.448 26.448 22 1HG1 VAL 11 HG11 VAL 11 14.894 26.794 26.794 23 2HG1 VAL 11 HG13 VAL 11 13.702 27.954 27.954 24 3HG1 VAL 11 HG12 VAL 11 13.603 26.263 26.263 25 1HG2 VAL 11 HG22 VAL 11 13.983 27.981 27.981 26 2HG2 VAL 11 HG21 VAL 11 12.313 27.637 27.637 27 3HG2 VAL 11 HG23 VAL 11 12.658 28.714 28.714 28 H ALA 12 HN ALA 12 15.207 24.088 24.088 29 HA ALA 12 HA ALA 12 13.647 21.695 21.695 30 1HB ALA 12 HB1 ALA 12 16.226 22.763 22.763 31 2HB ALA 12 HB3 ALA 12 15.497 21.288 21.288 32 3HB ALA 12 HB2 ALA 12 15.982 21.374 21.374 33 H LEU 13 HN LEU 13 11.668 22.580 22.580 34 HA LEU 13 HA LEU 13 11.391 24.203 24.203 35 1HB LEU 13 HB2 LEU 13 9.758 21.711 21.711 36 2HB LEU 13 HB1 LEU 13 9.256 23.106 23.106 37 HG LEU 13 HG LEU 13 9.901 23.115 23.115 38 1HD1 LEU 13 HD11 LEU 13 7.425 22.879 22.879 39 2HD1 LEU 13 HD13 LEU 13 7.347 23.997 23.997 40 3HD1 LEU 13 HD12 LEU 13 7.762 22.304 22.304 41 1HD2 LEU 13 HD21 LEU 13 10.557 25.212 25.212 42 2HD2 LEU 13 HD23 LEU 13 9.179 25.466 25.466 43 3HD2 LEU 13 HD22 LEU 13 8.931 25.339 25.339 44 H TYR 14 HN TYR 14 11.493 20.625 20.625 45 HA TYR 14 HA TYR 14 12.237 20.785 20.785 46 1HB TYR 14 HB2 TYR 14 11.705 18.239 18.239 47 2HB TYR 14 HB1 TYR 14 11.503 18.552 18.552 48 HD1 TYR 14 HD1 TYR 14 10.215 21.420 21.420 49 HD2 TYR 14 HD2 TYR 14 9.333 17.374 17.374 50 HE1 TYR 14 HE1 TYR 14 7.893 22.040 22.040 51 HE2 TYR 14 HE2 TYR 14 6.993 17.979 17.979 52 HH TYR 14 HH TYR 14 5.541 20.539 20.539 53 H ASP 15 HN ASP 15 13.764 18.706 18.706 54 HA ASP 15 HA ASP 15 16.312 19.369 19.369 55 1HB ASP 15 HB2 ASP 15 15.646 18.403 18.403 56 2HB ASP 15 HB1 ASP 15 16.047 16.889 16.889 57 H TYR 16 HN TYR 16 17.724 17.281 17.281 58 HA TYR 16 HA TYR 16 16.207 15.248 15.248 59 1HB TYR 16 HB2 TYR 16 16.168 16.909 16.909 60 2HB TYR 16 HB1 TYR 16 17.835 17.385 17.385 61 HD1 TYR 16 HD2 TYR 16 16.013 14.179 14.179 62 HD2 TYR 16 HD1 TYR 16 19.363 16.646 16.646 63 HE1 TYR 16 HE2 TYR 16 16.804 12.522 12.522 64 HE2 TYR 16 HE1 TYR 16 20.157 14.987 14.987 65 HH TYR 16 HH TYR 16 18.244 12.140 12.140 66 H GLU 17 HN GLU 17 17.343 13.756 13.756 67 HA GLU 17 HA GLU 17 20.309 13.785 13.785 68 1HB GLU 17 HB2 GLU 17 19.380 13.436 13.436 69 2HB GLU 17 HB1 GLU 17 18.352 12.130 12.130 70 1HG GLU 17 HG2 GLU 17 20.178 10.672 10.672 71 2HG GLU 17 HG1 GLU 17 21.348 11.992 11.992 72 H SER 18 HN SER 18 20.049 13.231 13.231 73 HA SER 18 HA SER 18 18.934 10.968 10.968 74 1HB SER 18 HB2 SER 18 20.593 12.768 12.768 75 2HB SER 18 HB1 SER 18 21.808 11.537 11.537 76 HG SER 18 HG SER 18 20.893 10.196 10.196 77 H ARG 19 HN ARG 19 19.597 8.759 8.759 78 HA ARG 19 HA ARG 19 21.143 7.753 7.753 79 1HB ARG 19 HB2 ARG 19 19.495 6.347 6.347 80 2HB ARG 19 HB1 ARG 19 20.344 5.514 5.514 81 1HG ARG 19 HG2 ARG 19 19.031 6.656 6.656 82 2HG ARG 19 HG1 ARG 19 18.306 7.709 7.709 83 1HD ARG 19 HD2 ARG 19 16.728 6.173 6.173 84 2HD ARG 19 HD1 ARG 19 17.947 4.920 4.920 85 HE ARG 19 HE ARG 19 17.508 4.169 4.169 86 1HH1 ARG 19 HH21 ARG 19 16.281 7.352 7.352 87 2HH1 ARG 19 HH22 ARG 19 15.443 7.429 7.429 88 1HH2 ARG 19 HH11 ARG 19 16.419 4.263 4.263 89 2HH2 ARG 19 HH12 ARG 19 15.521 5.684 5.684 90 H THR 20 HN THR 20 21.594 8.428 8.428 91 HA THR 20 HA THR 20 23.895 6.551 6.551 92 HB THR 20 HB THR 20 23.871 7.660 7.660 93 HG1 THR 20 HG1 THR 20 22.069 9.034 9.034 94 1HG2 THR 20 HG21 THR 20 22.921 5.296 5.296 95 2HG2 THR 20 HG23 THR 20 21.582 5.877 5.877 96 3HG2 THR 20 HG22 THR 20 23.164 5.599 5.599 97 H GLU 21 HN GLU 21 25.960 7.449 7.449 98 HA GLU 21 HA GLU 21 26.530 10.053 10.053 99 1HB GLU 21 HB2 GLU 21 27.970 7.712 7.712 100 2HB GLU 21 HB1 GLU 21 28.719 8.711 8.711 101 1HG GLU 21 HG2 GLU 21 29.529 10.233 10.233 102 2HG GLU 21 HG1 GLU 21 28.157 10.032 10.032 103 H THR 22 HN THR 22 25.034 9.625 9.625 104 HA THR 22 HA THR 22 26.857 11.168 11.168 105 HB THR 22 HB THR 22 24.244 9.742 9.742 106 HG1 THR 22 HG1 THR 22 26.002 8.636 8.636 107 1HG2 THR 22 HG23 THR 22 24.902 11.864 11.864 108 2HG2 THR 22 HG22 THR 22 26.168 10.842 10.842 109 3HG2 THR 22 HG21 THR 22 24.473 10.402 10.402 110 H ASP 23 HN ASP 23 23.406 11.157 11.157 111 HA ASP 23 HA ASP 23 22.877 13.804 13.804 112 1HB ASP 23 HB2 ASP 23 21.453 12.646 12.646 113 2HB ASP 23 HB1 ASP 23 20.797 13.603 13.603 114 H LEU 24 HN LEU 24 22.908 15.797 15.797 115 HA LEU 24 HA LEU 24 24.764 15.888 15.888 116 1HB LEU 24 HB2 LEU 24 23.451 18.217 18.217 117 2HB LEU 24 HB1 LEU 24 24.899 18.248 18.248 118 HG LEU 24 HG LEU 24 24.641 16.708 16.708 119 1HD1 LEU 24 HD13 LEU 24 26.006 19.344 19.344 120 2HD1 LEU 24 HD12 LEU 24 26.186 18.462 18.462 121 3HD1 LEU 24 HD11 LEU 24 24.613 19.118 19.118 122 1HD2 LEU 24 HD23 LEU 24 26.865 17.162 17.162 123 2HD2 LEU 24 HD22 LEU 24 26.277 15.636 15.636 124 3HD2 LEU 24 HD21 LEU 24 27.210 16.738 16.738 125 H SER 25 HN SER 25 23.497 15.135 15.135 126 HA SER 25 HA SER 25 20.862 15.669 15.669 127 1HB SER 25 HB2 SER 25 22.650 16.046 16.046 128 2HB SER 25 HB1 SER 25 21.406 14.826 14.826 129 HG SER 25 HG SER 25 24.026 14.560 14.560 130 H PHE 26 HN PHE 26 19.703 17.460 17.460 131 HA PHE 26 HA PHE 26 21.257 19.928 19.928 132 1HB PHE 26 HB2 PHE 26 19.526 21.228 21.228 133 2HB PHE 26 HB1 PHE 26 20.515 20.189 20.189 134 HD1 PHE 26 HD1 PHE 26 17.271 20.367 20.367 135 HD2 PHE 26 HD2 PHE 26 19.471 18.503 18.503 136 HE1 PHE 26 HE1 PHE 26 15.215 19.270 19.270 137 HE2 PHE 26 HE2 PHE 26 17.414 17.426 17.426 138 HZ PHE 26 HZ PHE 26 15.287 17.794 17.794 139 H LYS 27 HN LYS 27 20.280 21.283 21.283 140 HA LYS 27 HA LYS 27 18.055 20.002 20.002 141 1HB LYS 27 HB2 LYS 27 19.896 22.263 22.263 142 2HB LYS 27 HB1 LYS 27 18.746 21.418 21.418 143 1HG LYS 27 HG2 LYS 27 20.344 19.899 19.899 144 2HG LYS 27 HG1 LYS 27 20.333 19.421 19.421 145 1HD LYS 27 HD2 LYS 27 22.563 20.054 20.054 146 2HD LYS 27 HD1 LYS 27 21.849 21.540 21.540 147 1HE LYS 27 HE2 LYS 27 21.440 21.565 21.565 148 2HE LYS 27 HE1 LYS 27 23.119 21.091 21.091 149 1HZ LYS 27 HZ1 LYS 27 23.010 23.036 23.036 150 2HZ LYS 27 HZ3 LYS 27 21.755 23.580 23.580 151 3HZ LYS 27 HZ2 LYS 27 23.312 23.343 23.343 152 H LYS 28 HN LYS 28 16.636 21.799 21.799 153 HA LYS 28 HA LYS 28 15.200 23.172 23.172 154 1HB LYS 28 HB2 LYS 28 14.000 22.527 22.527 155 2HB LYS 28 HB1 LYS 28 15.131 23.384 23.384 156 1HG LYS 28 HG2 LYS 28 14.355 25.511 25.511 157 2HG LYS 28 HG1 LYS 28 13.519 24.817 24.817 158 1HD LYS 28 HD2 LYS 28 11.750 25.161 25.161 159 2HD LYS 28 HD1 LYS 28 12.179 23.485 23.485 160 1HE LYS 28 HE2 LYS 28 13.519 24.168 24.168 161 2HE LYS 28 HE1 LYS 28 13.256 25.870 25.870 162 1HZ LYS 28 HZ3 LYS 28 11.133 23.918 23.918 163 2HZ LYS 28 HZ2 LYS 28 11.770 25.096 25.096 164 3HZ LYS 28 HZ1 LYS 28 10.898 25.566 25.566 165 H GLY 29 HN GLY 29 15.500 25.200 25.200 166 1HA GLY 29 HA2 GLY 29 16.042 27.593 27.593 167 2HA GLY 29 HA1 GLY 29 17.378 27.017 27.017 168 H GLU 30 HN GLU 30 17.660 24.852 24.852 169 HA GLU 30 HA GLU 30 19.595 26.448 26.448 170 1HB GLU 30 HB2 GLU 30 20.324 24.269 24.269 171 2HB GLU 30 HB1 GLU 30 18.987 23.476 23.476 172 1HG GLU 30 HG2 GLU 30 20.500 23.194 23.194 173 2HG GLU 30 HG1 GLU 30 20.132 24.877 24.877 174 H ARG 31 HN ARG 31 18.864 27.441 27.441 175 HA ARG 31 HA ARG 31 16.479 26.362 26.362 176 1HB ARG 31 HB2 ARG 31 18.031 28.837 28.837 177 2HB ARG 31 HB1 ARG 31 16.336 28.465 28.465 178 1HG ARG 31 HG2 ARG 31 15.783 29.534 29.534 179 2HG ARG 31 HG1 ARG 31 16.679 28.316 28.316 180 1HD ARG 31 HD2 ARG 31 17.904 30.142 30.142 181 2HD ARG 31 HD1 ARG 31 18.742 29.834 29.834 182 HE ARG 31 HE ARG 31 16.548 31.517 31.517 183 1HH1 ARG 31 HH21 ARG 31 19.469 31.504 31.504 184 2HH1 ARG 31 HH22 ARG 31 19.718 33.212 33.212 185 1HH2 ARG 31 HH11 ARG 31 16.863 33.744 33.744 186 2HH2 ARG 31 HH12 ARG 31 18.246 34.478 34.478 187 H LEU 32 HN LEU 32 16.534 25.699 25.699 188 HA LEU 32 HA LEU 32 19.186 25.605 25.605 189 1HB LEU 32 HB2 LEU 32 17.490 23.116 23.116 190 2HB LEU 32 HB1 LEU 32 19.195 23.267 23.267 191 HG LEU 32 HG LEU 32 19.327 24.239 24.239 192 1HD1 LEU 32 HD13 LEU 32 16.738 23.795 23.795 193 2HD1 LEU 32 HD12 LEU 32 17.222 22.124 22.124 194 3HD1 LEU 32 HD11 LEU 32 17.727 23.390 23.390 195 1HD2 LEU 32 HD22 LEU 32 19.793 21.708 21.708 196 2HD2 LEU 32 HD21 LEU 32 20.658 22.425 22.425 197 3HD2 LEU 32 HD23 LEU 32 19.237 21.423 21.423 198 H GLN 33 HN GLN 33 18.982 25.090 25.090 199 HA GLN 33 HA GLN 33 16.356 26.012 26.012 200 1HB GLN 33 HB2 GLN 33 18.782 25.611 25.611 201 2HB GLN 33 HB1 GLN 33 17.491 26.804 26.804 202 1HG GLN 33 HG2 GLN 33 18.324 27.952 27.952 203 2HG GLN 33 HG1 GLN 33 19.628 26.770 26.770 204 1HE2 GLN 33 HE22 GLN 33 19.739 29.370 29.370 205 2HE2 GLN 33 HE21 GLN 33 18.232 28.857 28.857 206 H ILE 34 HN ILE 34 15.001 24.515 24.515 207 HA ILE 34 HA ILE 34 15.703 21.739 21.739 208 HB ILE 34 HB ILE 34 13.398 23.283 23.283 209 1HG1 ILE 34 HG12 ILE 34 13.366 23.345 23.345 210 2HG1 ILE 34 HG11 ILE 34 12.160 22.171 22.171 211 1HG2 ILE 34 HG22 ILE 34 14.298 20.695 20.695 212 2HG2 ILE 34 HG21 ILE 34 12.952 20.452 20.452 213 3HG2 ILE 34 HG23 ILE 34 12.715 21.380 21.380 214 1HD1 ILE 34 HD13 ILE 34 13.987 20.396 20.396 215 2HD1 ILE 34 HD12 ILE 34 14.921 21.632 21.632 216 3HD1 ILE 34 HD11 ILE 34 13.368 21.102 21.102 217 H VAL 35 HN VAL 35 16.520 20.564 20.564 218 HA VAL 35 HA VAL 35 17.216 22.077 22.077 219 HB VAL 35 HB VAL 35 18.312 19.493 19.493 220 1HG1 VAL 35 HG12 VAL 35 18.328 20.530 20.530 221 2HG1 VAL 35 HG11 VAL 35 19.969 20.545 20.545 222 3HG1 VAL 35 HG13 VAL 35 19.048 19.040 19.040 223 1HG2 VAL 35 HG21 VAL 35 18.936 21.714 21.714 224 2HG2 VAL 35 HG23 VAL 35 20.289 20.766 20.766 225 3HG2 VAL 35 HG22 VAL 35 19.697 22.151 22.151 226 H ASN 36 HN ASN 36 16.538 18.646 18.646 227 HA ASN 36 HA ASN 36 14.980 18.545 18.545 228 1HB ASN 36 HB2 ASN 36 16.674 16.835 16.835 229 2HB ASN 36 HB1 ASN 36 16.133 16.379 16.379 230 1HD2 ASN 36 HD22 ASN 36 13.730 14.129 14.129 231 2HD2 ASN 36 HD21 ASN 36 14.670 14.662 14.662 232 H ASN 37 HN ASN 37 12.873 17.473 17.473 233 HA ASN 37 HA ASN 37 11.573 17.066 17.066 234 1HB ASN 37 HB2 ASN 37 9.655 18.607 18.607 235 2HB ASN 37 HB1 ASN 37 11.102 19.377 19.377 236 1HD2 ASN 37 HD22 ASN 37 10.601 21.199 21.199 237 2HD2 ASN 37 HD21 ASN 37 10.010 21.164 21.164 238 H THR 38 HN THR 38 12.135 15.153 15.153 239 HA THR 38 HA THR 38 9.384 14.458 14.458 240 HB THR 38 HB THR 38 10.692 15.445 15.445 241 HG1 THR 38 HG1 THR 38 9.822 14.001 14.001 242 1HG2 THR 38 HG22 THR 38 12.804 14.096 14.096 243 2HG2 THR 38 HG21 THR 38 12.287 12.957 12.957 244 3HG2 THR 38 HG23 THR 38 12.714 14.610 14.610 245 H GLU 39 HN GLU 39 11.721 13.629 13.629 246 HA GLU 39 HA GLU 39 12.116 10.822 10.822 247 1HB GLU 39 HB2 GLU 39 13.318 12.680 12.680 248 2HB GLU 39 HB1 GLU 39 12.825 11.232 11.232 249 1HG GLU 39 HG2 GLU 39 14.979 10.678 10.678 250 2HG GLU 39 HG1 GLU 39 13.920 9.939 9.939 251 H GLY 40 HN GLY 40 11.105 11.994 11.994 252 1HA GLY 40 HA2 GLY 40 8.443 10.979 10.979 253 2HA GLY 40 HA1 GLY 40 9.501 9.721 9.721 254 H ASP 41 HN ASP 41 10.279 9.935 9.935 255 HA ASP 41 HA ASP 41 9.284 12.314 12.314 256 1HB ASP 41 HB2 ASP 41 9.497 9.427 9.427 257 2HB ASP 41 HB1 ASP 41 9.971 10.508 10.508 258 H TRP 42 HN TRP 42 11.752 12.350 12.350 259 HA TRP 42 HA TRP 42 13.554 13.202 13.202 260 1HB TRP 42 HB2 TRP 42 14.190 10.820 10.820 261 2HB TRP 42 HB1 TRP 42 15.441 11.749 11.749 262 HD1 TRP 42 HD1 TRP 42 12.670 9.189 9.189 263 HE1 TRP 42 HE1 TRP 42 12.838 8.567 8.567 264 HE3 TRP 42 HE3 TRP 42 15.982 12.582 12.582 265 HZ2 TRP 42 HZ2 TRP 42 14.301 9.456 9.456 266 HZ3 TRP 42 HZ3 TRP 42 16.790 12.737 12.737 267 HH2 TRP 42 HH2 TRP 42 15.950 11.174 11.174 268 H TRP 43 HN TRP 43 14.537 15.024 15.024 269 HA TRP 43 HA TRP 43 14.985 15.258 15.258 270 1HB TRP 43 HB2 TRP 43 14.120 17.486 17.486 271 2HB TRP 43 HB1 TRP 43 14.396 17.630 17.630 272 HD1 TRP 43 HD1 TRP 43 12.899 14.946 14.946 273 HE1 TRP 43 HE1 TRP 43 10.377 14.935 14.935 274 HE3 TRP 43 HE3 TRP 43 12.349 18.542 18.542 275 HZ2 TRP 43 HZ2 TRP 43 8.272 16.359 16.359 276 HZ3 TRP 43 HZ3 TRP 43 10.142 19.245 19.245 277 HH2 TRP 43 HH2 TRP 43 8.106 18.156 18.156 278 H LEU 44 HN LEU 44 16.683 16.949 16.949 279 HA LEU 44 HA LEU 44 18.817 16.846 16.846 280 1HB LEU 44 HB2 LEU 44 19.392 15.710 15.710 281 2HB LEU 44 HB1 LEU 44 19.061 17.199 17.199 282 HG LEU 44 HG LEU 44 21.032 17.198 17.198 283 1HD1 LEU 44 HD13 LEU 44 21.436 15.395 15.395 284 2HD1 LEU 44 HD12 LEU 44 21.961 16.809 16.809 285 3HD1 LEU 44 HD11 LEU 44 22.768 16.388 16.388 286 1HD2 LEU 44 HD22 LEU 44 20.037 19.070 19.070 287 2HD2 LEU 44 HD21 LEU 44 21.235 19.339 19.339 288 3HD2 LEU 44 HD23 LEU 44 21.748 18.797 18.797 289 H ALA 45 HN ALA 45 19.165 18.774 18.774 290 HA ALA 45 HA ALA 45 18.571 21.251 21.251 291 1HB ALA 45 HB2 ALA 45 17.051 20.730 20.730 292 2HB ALA 45 HB1 ALA 45 18.457 21.031 21.031 293 3HB ALA 45 HB3 ALA 45 17.814 22.320 22.320 294 H HIS 46 HN HIS 46 19.914 23.132 23.132 295 HA HIS 46 HA HIS 46 22.606 22.285 22.285 296 1HB HIS 46 HB2 HIS 46 23.123 22.798 22.798 297 2HB HIS 46 HB1 HIS 46 21.755 23.891 23.891 298 HD1 HIS 46 HD1 HIS 46 25.284 23.965 23.965 299 HD2 HIS 46 HD2 HIS 46 22.182 26.487 26.487 300 HE1 HIS 46 HE1 HIS 46 26.303 26.142 26.142 301 H SER 47 HN SER 47 22.958 23.189 23.189 302 HA SER 47 HA SER 47 21.399 25.215 25.215 303 1HB SER 47 HB2 SER 47 24.286 25.083 25.083 304 2HB SER 47 HB1 SER 47 22.862 25.076 25.076 305 HG SER 47 HG SER 47 23.839 23.039 23.039 306 H LEU 48 HN LEU 48 21.695 27.476 27.476 307 HA LEU 48 HA LEU 48 23.249 28.687 28.687 308 1HB LEU 48 HB2 LEU 48 21.041 29.615 29.615 309 2HB LEU 48 HB1 LEU 48 22.056 30.810 30.810 310 HG LEU 48 HG LEU 48 20.513 28.583 28.583 311 1HD1 LEU 48 HD12 LEU 48 19.340 30.727 30.727 312 2HD1 LEU 48 HD11 LEU 48 20.078 31.528 31.528 313 3HD1 LEU 48 HD13 LEU 48 18.953 30.192 30.192 314 1HD2 LEU 48 HD23 LEU 48 22.575 30.547 30.547 315 2HD2 LEU 48 HD22 LEU 48 22.284 28.894 28.894 316 3HD2 LEU 48 HD21 LEU 48 21.236 30.201 30.201 317 H THR 49 HN THR 49 24.469 27.575 27.575 318 HA THR 49 HA THR 49 25.540 30.049 30.049 319 HB THR 49 HB THR 49 25.861 27.115 27.115 320 HG1 THR 49 HG1 THR 49 24.038 27.621 27.621 321 1HG2 THR 49 HG21 THR 49 26.985 29.573 29.573 322 2HG2 THR 49 HG23 THR 49 27.053 27.932 27.932 323 3HG2 THR 49 HG22 THR 49 27.922 28.338 28.338 324 H THR 50 HN THR 50 27.405 27.094 27.094 325 HA THR 50 HA THR 50 29.552 28.679 28.679 326 HB THR 50 HB THR 50 30.084 25.830 25.830 327 HG1 THR 50 HG1 THR 50 29.520 25.548 25.548 328 1HG2 THR 50 HG21 THR 50 31.585 28.008 28.008 329 2HG2 THR 50 HG23 THR 50 31.326 27.987 27.987 330 3HG2 THR 50 HG22 THR 50 32.086 26.609 26.609 331 H GLY 51 HN GLY 51 28.562 25.324 25.324 332 1HA GLY 51 HA2 GLY 51 27.459 25.658 25.658 333 2HA GLY 51 HA1 GLY 51 29.204 25.574 25.574 334 H GLN 52 HN GLN 52 26.974 23.866 23.866 335 HA GLN 52 HA GLN 52 28.242 21.316 21.316 336 1HB GLN 52 HB2 GLN 52 27.536 22.362 22.362 337 2HB GLN 52 HB1 GLN 52 26.575 20.915 20.915 338 1HG GLN 52 HG2 GLN 52 28.379 19.646 19.646 339 2HG GLN 52 HG1 GLN 52 29.218 20.382 20.382 340 1HE2 GLN 52 HE22 GLN 52 30.136 21.528 21.528 341 2HE2 GLN 52 HE21 GLN 52 28.882 20.422 20.422 342 H THR 53 HN THR 53 26.742 19.426 19.426 343 HA THR 53 HA THR 53 23.960 20.248 20.248 344 HB THR 53 HB THR 53 25.988 19.356 19.356 345 HG1 THR 53 HG1 THR 53 23.197 19.756 19.756 346 1HG2 THR 53 HG21 THR 53 25.288 17.040 17.040 347 2HG2 THR 53 HG23 THR 53 23.649 17.430 17.430 348 3HG2 THR 53 HG22 THR 53 24.970 17.408 17.408 349 H GLY 54 HN GLY 54 22.420 18.934 18.934 350 1HA GLY 54 HA2 GLY 54 23.172 16.189 16.189 351 2HA GLY 54 HA1 GLY 54 22.579 17.288 17.288 352 H TYR 55 HN TYR 55 21.463 14.773 14.773 353 HA TYR 55 HA TYR 55 19.082 15.704 15.704 354 1HB TYR 55 HB2 TYR 55 19.344 12.998 12.998 355 2HB TYR 55 HB1 TYR 55 18.522 13.434 13.434 356 HD1 TYR 55 HD2 TYR 55 20.887 15.282 15.282 357 HD2 TYR 55 HD1 TYR 55 20.690 11.243 11.243 358 HE1 TYR 55 HE2 TYR 55 22.914 14.764 14.764 359 HE2 TYR 55 HE1 TYR 55 22.718 10.727 10.727 360 HH TYR 55 HH TYR 55 23.861 11.781 11.781 361 H ILE 56 HN ILE 56 17.771 16.996 16.996 362 HA ILE 56 HA ILE 56 17.209 16.196 16.196 363 HB ILE 56 HB ILE 56 16.184 18.305 18.305 364 1HG1 ILE 56 HG12 ILE 56 14.679 18.091 18.091 365 2HG1 ILE 56 HG11 ILE 56 15.353 19.704 19.704 366 1HG2 ILE 56 HG22 ILE 56 18.483 18.400 18.400 367 2HG2 ILE 56 HG21 ILE 56 17.748 19.891 19.891 368 3HG2 ILE 56 HG23 ILE 56 18.480 18.761 18.761 369 1HD1 ILE 56 HD12 ILE 56 17.261 18.781 18.781 370 2HD1 ILE 56 HD11 ILE 56 16.019 17.628 17.628 371 3HD1 ILE 56 HD13 ILE 56 15.747 19.357 19.357 372 HA PRO 57 HA PRO 57 13.671 13.821 13.821 373 1HB PRO 57 HB2 PRO 57 12.523 14.130 14.130 374 2HB PRO 57 HB1 PRO 57 13.401 12.735 12.735 375 1HG PRO 57 HG2 PRO 57 14.304 14.657 14.657 376 2HG PRO 57 HG1 PRO 57 15.168 13.243 13.243 377 1HD PRO 57 HD1 PRO 57 15.691 16.021 16.021 378 2HD PRO 57 HD2 PRO 57 16.550 14.597 14.597 379 H SER 58 HN SER 58 11.431 14.232 14.232 380 HA SER 58 HA SER 58 10.721 17.085 17.085 381 1HB SER 58 HB2 SER 58 8.558 15.947 15.947 382 2HB SER 58 HB1 SER 58 10.041 16.138 16.138 383 HG SER 58 HG SER 58 8.802 13.915 13.915 384 H ASN 59 HN ASN 59 10.868 16.153 16.153 385 HA ASN 59 HA ASN 59 7.995 16.283 16.283 386 1HB ASN 59 HB2 ASN 59 9.944 14.152 14.152 387 2HB ASN 59 HB1 ASN 59 9.114 14.774 14.774 388 1HD2 ASN 59 HD21 ASN 59 8.305 13.769 13.769 389 2HD2 ASN 59 HD22 ASN 59 6.839 13.024 13.024 390 H TYR 60 HN TYR 60 11.388 16.601 16.601 391 HA TYR 60 HA TYR 60 10.577 18.296 18.296 392 1HB TYR 60 HB2 TYR 60 13.350 17.694 17.694 393 2HB TYR 60 HB1 TYR 60 12.967 18.407 18.407 394 HD1 TYR 60 HD2 TYR 60 10.750 16.823 16.823 395 HD2 TYR 60 HD1 TYR 60 14.170 15.528 15.528 396 HE1 TYR 60 HE2 TYR 60 10.520 14.588 14.588 397 HE2 TYR 60 HE1 TYR 60 13.940 13.290 13.290 398 HH TYR 60 HH TYR 60 12.901 12.315 12.315 399 H VAL 61 HN VAL 61 10.783 18.843 18.843 400 HA VAL 61 HA VAL 61 11.789 21.623 21.623 401 HB VAL 61 HB VAL 61 12.767 19.844 19.844 402 1HG1 VAL 61 HG13 VAL 61 10.369 19.946 19.946 403 2HG1 VAL 61 HG12 VAL 61 10.979 21.443 21.443 404 3HG1 VAL 61 HG11 VAL 61 11.804 19.918 19.918 405 1HG2 VAL 61 HG22 VAL 61 12.504 22.823 22.823 406 2HG2 VAL 61 HG21 VAL 61 13.934 21.831 21.831 407 3HG2 VAL 61 HG23 VAL 61 13.291 22.003 22.003 408 H ALA 62 HN ALA 62 10.708 22.769 22.769 409 HA ALA 62 HA ALA 62 8.045 22.336 22.336 410 1HB ALA 62 HB1 ALA 62 8.287 23.016 23.016 411 2HB ALA 62 HB3 ALA 62 7.461 24.334 24.334 412 3HB ALA 62 HB2 ALA 62 6.819 22.693 22.693 413 HA PRO 63 HA PRO 63 8.967 25.905 25.905 414 1HB PRO 63 HB2 PRO 63 6.210 26.609 26.609 415 2HB PRO 63 HB1 PRO 63 7.261 25.738 25.738 416 1HG PRO 63 HG2 PRO 63 5.081 24.677 24.677 417 2HG PRO 63 HG1 PRO 63 6.108 23.814 23.814 418 1HD PRO 63 HD1 PRO 63 6.143 23.635 23.635 419 2HD PRO 63 HD2 PRO 63 7.178 22.775 22.775 420 H SER 64 HN SER 64 9.375 28.031 28.031 421 HA SER 64 HA SER 64 7.515 29.475 29.475 422 1HB SER 64 HB2 SER 64 9.196 29.965 29.965 423 2HB SER 64 HB1 SER 64 9.026 28.217 28.217 424 HG SER 64 HG SER 64 10.828 28.400 28.400 425 1H ALA 71 HT3 ALA 71 9.228 9.620 9.620 426 2H ALA 71 HT2 ALA 71 8.937 8.716 8.716 427 3H ALA 71 HT1 ALA 71 8.429 10.335 10.335 428 HA ALA 71 HA ALA 71 10.388 10.249 10.249 429 1HB ALA 71 HB2 ALA 71 11.112 8.054 8.054 430 2HB ALA 71 HB1 ALA 71 11.866 9.110 9.110 431 3HB ALA 71 HB3 ALA 71 12.379 9.180 9.180 432 H PHE 72 HN PHE 72 9.091 11.693 11.693 433 HA PHE 72 HA PHE 72 10.370 14.142 14.142 434 1HB PHE 72 HB2 PHE 72 12.069 12.209 12.209 435 2HB PHE 72 HB1 PHE 72 11.615 13.467 13.467 436 HD1 PHE 72 HD2 PHE 72 11.733 15.944 15.944 437 HD2 PHE 72 HD1 PHE 72 13.887 12.630 12.630 438 HE1 PHE 72 HE2 PHE 72 13.341 17.484 17.484 439 HE2 PHE 72 HE1 PHE 72 15.495 14.172 14.172 440 HZ PHE 72 HZ PHE 72 15.223 16.600 16.600 441 H ALA 73 HN ALA 73 10.427 15.108 15.108 442 HA ALA 73 HA ALA 73 7.730 15.454 15.454 443 1HB ALA 73 HB1 ALA 73 10.215 16.356 16.356 444 2HB ALA 73 HB3 ALA 73 9.522 15.545 15.545 445 3HB ALA 73 HB2 ALA 73 8.642 16.855 16.855 446 HA PRO 74 HA PRO 74 6.319 12.145 12.145 447 1HB PRO 74 HB2 PRO 74 7.026 13.135 13.135 448 2HB PRO 74 HB1 PRO 74 5.425 12.881 12.881 449 1HG PRO 74 HG2 PRO 74 6.712 15.384 15.384 450 2HG PRO 74 HG1 PRO 74 5.218 15.112 15.112 451 1HD PRO 74 HD1 PRO 74 7.820 15.843 15.843 452 2HD PRO 74 HD2 PRO 74 6.314 15.649 15.649 453 HA PRO 75 HA PRO 75 9.934 9.668 9.668 454 1HB PRO 75 HB2 PRO 75 8.519 7.702 7.702 455 2HB PRO 75 HB1 PRO 75 8.971 7.624 7.624 456 1HG PRO 75 HG2 PRO 75 6.339 8.024 8.024 457 2HG PRO 75 HG1 PRO 75 6.793 7.965 7.965 458 1HD PRO 75 HD1 PRO 75 6.013 10.274 10.274 459 2HD PRO 75 HD2 PRO 75 6.466 10.213 10.213 460 H LEU 76 HN LEU 76 11.396 8.909 8.909 461 HA LEU 76 HA LEU 76 11.109 10.418 10.418 462 1HB LEU 76 HB2 LEU 76 13.309 9.288 9.288 463 2HB LEU 76 HB1 LEU 76 13.481 9.002 9.002 464 HG LEU 76 HG LEU 76 12.924 11.708 11.708 465 1HD1 LEU 76 HD11 LEU 76 15.211 10.719 10.719 466 2HD1 LEU 76 HD13 LEU 76 15.482 10.699 10.699 467 3HD1 LEU 76 HD12 LEU 76 15.237 12.231 12.231 468 1HD2 LEU 76 HD22 LEU 76 12.629 10.705 10.705 469 2HD2 LEU 76 HD21 LEU 76 12.458 12.371 12.371 470 3HD2 LEU 76 HD23 LEU 76 14.028 11.779 11.779 471 HA PRO 77 HA PRO 77 9.391 6.720 6.720 472 1HB PRO 77 HB2 PRO 77 9.704 7.965 7.965 473 2HB PRO 77 HB1 PRO 77 8.214 7.711 7.711 474 1HG PRO 77 HG2 PRO 77 9.604 10.197 10.197 475 2HG PRO 77 HG1 PRO 77 8.130 9.937 9.937 476 1HD PRO 77 HD1 PRO 77 10.783 10.516 10.516 477 2HD PRO 77 HD2 PRO 77 9.301 10.269 10.269 478 H ARG 78 HN ARG 78 11.189 5.316 5.316 479 HA ARG 78 HA ARG 78 13.762 5.446 5.446 480 1HB ARG 78 HB2 ARG 78 12.615 3.539 3.539 481 2HB ARG 78 HB1 ARG 78 12.169 2.893 2.893 482 1HG ARG 78 HG2 ARG 78 14.209 1.941 1.941 483 2HG ARG 78 HG1 ARG 78 14.892 3.562 3.562 484 1HD ARG 78 HD2 ARG 78 14.168 2.904 2.904 485 2HD ARG 78 HD1 ARG 78 15.316 1.742 1.742 486 HE ARG 78 HE ARG 78 15.927 4.459 4.459 487 1HH1 ARG 78 HH21 ARG 78 16.490 2.003 2.003 488 2HH1 ARG 78 HH22 ARG 78 18.053 2.605 2.605 489 1HH2 ARG 78 HH11 ARG 78 17.963 5.252 5.252 490 2HH2 ARG 78 HH12 ARG 78 18.885 4.442 4.442 491 H ARG 79 HN ARG 79 14.668 5.562 5.562 492 HA ARG 79 HA ARG 79 13.314 6.017 6.017 493 1HB ARG 79 HB2 ARG 79 15.897 4.440 4.440 494 2HB ARG 79 HB1 ARG 79 15.345 5.378 5.378 495 1HG ARG 79 HG2 ARG 79 16.439 7.143 7.143 496 2HG ARG 79 HG1 ARG 79 15.229 7.160 7.160 497 1HD ARG 79 HD2 ARG 79 16.680 5.350 5.350 498 2HD ARG 79 HD1 ARG 79 17.940 5.831 5.831 499 HE ARG 79 HE ARG 79 17.079 7.347 7.347 500 1HH1 ARG 79 HH21 ARG 79 18.299 7.506 7.506 501 2HH1 ARG 79 HH22 ARG 79 19.057 9.047 9.047 502 1HH2 ARG 79 HH11 ARG 79 18.066 9.352 9.352 503 2HH2 ARG 79 HH12 ARG 79 18.926 10.091 10.091 Start of MODEL 9 1 1H THR 9 HT3 THR 9 13.060 30.135 30.135 2 2H THR 9 HT2 THR 9 14.444 30.196 30.196 3 3H THR 9 HT1 THR 9 13.370 28.885 28.885 4 HA THR 9 HA THR 9 15.200 28.089 28.089 5 HB THR 9 HB THR 9 15.184 29.817 29.817 6 HG1 THR 9 HG1 THR 9 14.945 31.691 31.691 7 1HG2 THR 9 HG21 THR 9 17.072 28.891 28.891 8 2HG2 THR 9 HG23 THR 9 17.551 30.295 30.295 9 3HG2 THR 9 HG22 THR 9 17.198 28.764 28.764 10 H PHE 10 HN PHE 10 14.627 26.453 26.453 11 HA PHE 10 HA PHE 10 11.944 26.596 26.596 12 1HB PHE 10 HB2 PHE 10 13.877 24.429 24.429 13 2HB PHE 10 HB1 PHE 10 12.771 24.132 24.132 14 HD1 PHE 10 HD2 PHE 10 12.116 26.208 26.208 15 HD2 PHE 10 HD1 PHE 10 11.249 22.568 22.568 16 HE1 PHE 10 HE2 PHE 10 10.307 25.742 25.742 17 HE2 PHE 10 HE1 PHE 10 9.442 22.107 22.107 18 HZ PHE 10 HZ PHE 10 8.970 23.692 23.692 19 H VAL 11 HN VAL 11 11.715 25.780 25.780 20 HA VAL 11 HA VAL 11 14.086 26.563 26.563 21 HB VAL 11 HB VAL 11 11.146 27.120 27.120 22 1HG1 VAL 11 HG11 VAL 11 12.400 26.354 26.354 23 2HG1 VAL 11 HG13 VAL 11 13.483 27.727 27.727 24 3HG1 VAL 11 HG12 VAL 11 11.773 27.999 27.999 25 1HG2 VAL 11 HG22 VAL 11 12.965 28.573 28.573 26 2HG2 VAL 11 HG21 VAL 11 11.622 29.291 29.291 27 3HG2 VAL 11 HG23 VAL 11 13.225 29.220 29.220 28 H ALA 12 HN ALA 12 14.672 25.084 25.084 29 HA ALA 12 HA ALA 12 13.306 22.504 22.504 30 1HB ALA 12 HB1 ALA 12 15.756 23.641 23.641 31 2HB ALA 12 HB3 ALA 12 15.079 22.120 22.120 32 3HB ALA 12 HB2 ALA 12 15.617 22.262 22.262 33 H LEU 13 HN LEU 13 11.413 22.369 22.369 34 HA LEU 13 HA LEU 13 10.824 24.045 24.045 35 1HB LEU 13 HB2 LEU 13 9.391 21.553 21.553 36 2HB LEU 13 HB1 LEU 13 8.747 22.779 22.779 37 HG LEU 13 HG LEU 13 9.596 23.269 23.269 38 1HD1 LEU 13 HD11 LEU 13 7.053 22.470 22.470 39 2HD1 LEU 13 HD13 LEU 13 6.926 23.810 23.810 40 3HD1 LEU 13 HD12 LEU 13 7.583 22.261 22.261 41 1HD2 LEU 13 HD21 LEU 13 8.427 25.021 25.021 42 2HD2 LEU 13 HD23 LEU 13 9.898 25.288 25.288 43 3HD2 LEU 13 HD22 LEU 13 8.320 25.446 25.446 44 H TYR 14 HN TYR 14 11.160 20.491 20.491 45 HA TYR 14 HA TYR 14 11.775 20.372 20.372 46 1HB TYR 14 HB2 TYR 14 11.461 17.964 17.964 47 2HB TYR 14 HB1 TYR 14 11.153 18.103 18.103 48 HD1 TYR 14 HD2 TYR 14 9.708 20.941 20.941 49 HD2 TYR 14 HD1 TYR 14 9.156 16.958 16.958 50 HE1 TYR 14 HE2 TYR 14 7.378 21.458 21.458 51 HE2 TYR 14 HE1 TYR 14 6.815 17.465 17.465 52 HH TYR 14 HH TYR 14 5.329 20.479 20.479 53 H ASP 15 HN ASP 15 13.767 19.657 19.657 54 HA ASP 15 HA ASP 15 16.051 19.975 19.975 55 1HB ASP 15 HB2 ASP 15 17.183 18.684 18.684 56 2HB ASP 15 HB1 ASP 15 16.444 20.244 20.244 57 H TYR 16 HN TYR 16 16.501 18.653 18.653 58 HA TYR 16 HA TYR 16 15.687 15.834 15.834 59 1HB TYR 16 HB2 TYR 16 15.502 16.896 16.896 60 2HB TYR 16 HB1 TYR 16 17.106 17.616 17.616 61 HD1 TYR 16 HD1 TYR 16 16.083 14.100 14.100 62 HD2 TYR 16 HD2 TYR 16 18.283 16.687 16.687 63 HE1 TYR 16 HE1 TYR 16 17.055 12.154 12.154 64 HE2 TYR 16 HE2 TYR 16 19.256 14.741 14.741 65 HH TYR 16 HH TYR 16 18.372 11.432 11.432 66 H GLU 17 HN GLU 17 16.929 14.364 14.364 67 HA GLU 17 HA GLU 17 19.841 14.899 14.899 68 1HB GLU 17 HB2 GLU 17 18.776 14.392 14.392 69 2HB GLU 17 HB1 GLU 17 17.929 13.010 13.010 70 1HG GLU 17 HG2 GLU 17 20.176 11.953 11.953 71 2HG GLU 17 HG1 GLU 17 20.913 13.277 13.277 72 H SER 18 HN SER 18 20.856 14.142 14.142 73 HA SER 18 HA SER 18 19.961 11.748 11.748 74 1HB SER 18 HB2 SER 18 22.179 13.719 13.719 75 2HB SER 18 HB1 SER 18 22.412 12.130 12.130 76 HG SER 18 HG SER 18 20.825 14.172 14.172 77 H ARG 19 HN ARG 19 21.069 9.723 9.723 78 HA ARG 19 HA ARG 19 22.633 9.160 9.160 79 1HB ARG 19 HB2 ARG 19 20.635 7.734 7.734 80 2HB ARG 19 HB1 ARG 19 22.124 6.791 6.791 81 1HG ARG 19 HG2 ARG 19 21.377 8.004 8.004 82 2HG ARG 19 HG1 ARG 19 20.392 6.651 6.651 83 1HD ARG 19 HD2 ARG 19 22.237 5.179 5.179 84 2HD ARG 19 HD1 ARG 19 23.405 6.499 6.499 85 HE ARG 19 HE ARG 19 23.221 6.562 6.562 86 1HH1 ARG 19 HH21 ARG 19 20.628 4.810 4.810 87 2HH1 ARG 19 HH22 ARG 19 19.992 4.240 4.240 88 1HH2 ARG 19 HH11 ARG 19 22.399 5.823 5.823 89 2HH2 ARG 19 HH12 ARG 19 20.992 4.813 4.813 90 H THR 20 HN THR 20 23.053 9.652 9.652 91 HA THR 20 HA THR 20 25.732 8.325 8.325 92 HB THR 20 HB THR 20 24.230 7.311 7.311 93 HG1 THR 20 HG1 THR 20 26.384 7.352 7.352 94 1HG2 THR 20 HG22 THR 20 23.970 10.184 10.184 95 2HG2 THR 20 HG21 THR 20 23.835 8.925 8.925 96 3HG2 THR 20 HG23 THR 20 22.721 8.945 8.945 97 H GLU 21 HN GLU 21 27.262 9.471 9.471 98 HA GLU 21 HA GLU 21 27.303 12.311 12.311 99 1HB GLU 21 HB2 GLU 21 29.489 12.212 12.212 100 2HB GLU 21 HB1 GLU 21 29.431 11.281 11.281 101 1HG GLU 21 HG2 GLU 21 29.109 9.236 9.236 102 2HG GLU 21 HG1 GLU 21 28.693 10.068 10.068 103 H THR 22 HN THR 22 26.329 10.386 10.386 104 HA THR 22 HA THR 22 26.753 12.156 12.156 105 HB THR 22 HB THR 22 24.272 10.461 10.461 106 HG1 THR 22 HG1 THR 22 26.688 9.631 9.631 107 1HG2 THR 22 HG23 THR 22 24.383 12.050 12.050 108 2HG2 THR 22 HG22 THR 22 25.822 11.195 11.195 109 3HG2 THR 22 HG21 THR 22 24.274 10.355 10.355 110 H ASP 23 HN ASP 23 23.562 11.747 11.747 111 HA ASP 23 HA ASP 23 22.741 14.412 14.412 112 1HB ASP 23 HB2 ASP 23 21.316 12.841 12.841 113 2HB ASP 23 HB1 ASP 23 20.640 13.843 13.843 114 H LEU 24 HN LEU 24 23.092 16.277 16.277 115 HA LEU 24 HA LEU 24 24.494 16.162 16.162 116 1HB LEU 24 HB2 LEU 24 23.329 18.724 18.724 117 2HB LEU 24 HB1 LEU 24 24.905 18.418 18.418 118 HG LEU 24 HG LEU 24 24.025 17.764 17.764 119 1HD1 LEU 24 HD12 LEU 24 25.889 19.727 19.727 120 2HD1 LEU 24 HD11 LEU 24 26.249 19.139 19.139 121 3HD1 LEU 24 HD13 LEU 24 24.732 19.981 19.981 122 1HD2 LEU 24 HD21 LEU 24 25.480 15.998 15.998 123 2HD2 LEU 24 HD23 LEU 24 26.022 16.565 16.565 124 3HD2 LEU 24 HD22 LEU 24 26.759 17.206 17.206 125 H SER 25 HN SER 25 23.673 17.247 17.247 126 HA SER 25 HA SER 25 20.738 16.829 16.829 127 1HB SER 25 HB2 SER 25 21.989 17.409 17.409 128 2HB SER 25 HB1 SER 25 21.301 15.880 15.880 129 HG SER 25 HG SER 25 23.418 15.478 15.478 130 H PHE 26 HN PHE 26 19.411 18.516 18.516 131 HA PHE 26 HA PHE 26 20.763 21.149 21.149 132 1HB PHE 26 HB2 PHE 26 18.889 22.226 22.226 133 2HB PHE 26 HB1 PHE 26 19.897 21.191 21.191 134 HD1 PHE 26 HD1 PHE 26 16.752 21.237 21.237 135 HD2 PHE 26 HD2 PHE 26 18.894 19.399 19.399 136 HE1 PHE 26 HE1 PHE 26 14.735 19.971 19.971 137 HE2 PHE 26 HE2 PHE 26 16.877 18.143 18.143 138 HZ PHE 26 HZ PHE 26 14.798 18.425 18.425 139 H LYS 27 HN LYS 27 19.843 22.441 22.441 140 HA LYS 27 HA LYS 27 17.874 21.104 21.104 141 1HB LYS 27 HB2 LYS 27 19.254 23.774 23.774 142 2HB LYS 27 HB1 LYS 27 18.436 22.808 22.808 143 1HG LYS 27 HG2 LYS 27 20.164 20.954 20.954 144 2HG LYS 27 HG1 LYS 27 21.093 22.364 22.364 145 1HD LYS 27 HD2 LYS 27 21.543 22.986 22.986 146 2HD LYS 27 HD1 LYS 27 19.918 22.586 22.586 147 1HE LYS 27 HE2 LYS 27 20.526 20.169 20.169 148 2HE LYS 27 HE1 LYS 27 22.169 20.621 20.621 149 1HZ LYS 27 HZ2 LYS 27 21.890 22.134 22.134 150 2HZ LYS 27 HZ1 LYS 27 20.807 20.901 20.901 151 3HZ LYS 27 HZ3 LYS 27 22.429 20.527 20.527 152 H LYS 28 HN LYS 28 16.450 23.140 23.140 153 HA LYS 28 HA LYS 28 14.609 23.820 23.820 154 1HB LYS 28 HB2 LYS 28 13.661 23.193 23.193 155 2HB LYS 28 HB1 LYS 28 14.591 24.443 24.443 156 1HG LYS 28 HG2 LYS 28 13.279 26.170 26.170 157 2HG LYS 28 HG1 LYS 28 12.755 25.218 25.218 158 1HD LYS 28 HD2 LYS 28 11.153 24.057 24.057 159 2HD LYS 28 HD1 LYS 28 11.989 24.327 24.327 160 1HE LYS 28 HE2 LYS 28 11.321 26.879 26.879 161 2HE LYS 28 HE1 LYS 28 9.876 25.871 25.871 162 1HZ LYS 28 HZ3 LYS 28 11.109 25.400 25.400 163 2HZ LYS 28 HZ2 LYS 28 11.080 27.084 27.084 164 3HZ LYS 28 HZ1 LYS 28 9.635 26.195 26.195 165 H GLY 29 HN GLY 29 15.435 25.419 25.419 166 1HA GLY 29 HA2 GLY 29 15.225 28.038 28.038 167 2HA GLY 29 HA1 GLY 29 16.605 27.838 27.838 168 H GLU 30 HN GLU 30 17.542 25.523 25.523 169 HA GLU 30 HA GLU 30 19.279 27.069 27.069 170 1HB GLU 30 HB2 GLU 30 20.073 24.963 24.963 171 2HB GLU 30 HB1 GLU 30 18.724 24.094 24.094 172 1HG GLU 30 HG2 GLU 30 19.746 24.002 24.002 173 2HG GLU 30 HG1 GLU 30 20.242 25.693 25.693 174 H ARG 31 HN ARG 31 19.109 27.477 27.477 175 HA ARG 31 HA ARG 31 16.546 26.636 26.636 176 1HB ARG 31 HB2 ARG 31 18.399 28.912 28.912 177 2HB ARG 31 HB1 ARG 31 16.811 28.575 28.575 178 1HG ARG 31 HG2 ARG 31 15.732 29.544 29.544 179 2HG ARG 31 HG1 ARG 31 16.779 28.769 28.769 180 1HD ARG 31 HD2 ARG 31 16.915 31.331 31.331 181 2HD ARG 31 HD1 ARG 31 18.445 30.455 30.455 182 HE ARG 31 HE ARG 31 17.629 30.734 30.734 183 1HH1 ARG 31 HH21 ARG 31 18.358 32.741 32.741 184 2HH1 ARG 31 HH22 ARG 31 18.931 34.059 34.059 185 1HH2 ARG 31 HH11 ARG 31 18.376 32.447 32.447 186 2HH2 ARG 31 HH12 ARG 31 18.941 33.893 33.893 187 H LEU 32 HN LEU 32 16.623 25.846 25.846 188 HA LEU 32 HA LEU 32 19.299 25.288 25.288 189 1HB LEU 32 HB2 LEU 32 17.252 23.112 23.112 190 2HB LEU 32 HB1 LEU 32 18.803 22.901 22.901 191 HG LEU 32 HG LEU 32 19.693 24.048 24.048 192 1HD1 LEU 32 HD13 LEU 32 16.945 23.590 23.590 193 2HD1 LEU 32 HD12 LEU 32 17.853 22.405 22.405 194 3HD1 LEU 32 HD11 LEU 32 18.189 24.126 24.126 195 1HD2 LEU 32 HD23 LEU 32 19.560 21.435 21.435 196 2HD2 LEU 32 HD22 LEU 32 20.678 22.028 22.028 197 3HD2 LEU 32 HD21 LEU 32 19.155 21.282 21.282 198 H GLN 33 HN GLN 33 19.244 25.221 25.221 199 HA GLN 33 HA GLN 33 16.766 26.126 26.126 200 1HB GLN 33 HB2 GLN 33 19.500 25.454 25.454 201 2HB GLN 33 HB1 GLN 33 18.167 26.091 26.091 202 1HG GLN 33 HG2 GLN 33 18.066 28.067 28.067 203 2HG GLN 33 HG1 GLN 33 19.479 27.445 27.445 204 1HE2 GLN 33 HE22 GLN 33 19.982 29.463 29.463 205 2HE2 GLN 33 HE21 GLN 33 18.469 29.326 29.326 206 H ILE 34 HN ILE 34 15.278 24.805 24.805 207 HA ILE 34 HA ILE 34 15.594 21.933 21.933 208 HB ILE 34 HB ILE 34 13.543 23.596 23.596 209 1HG1 ILE 34 HG12 ILE 34 13.465 24.179 24.179 210 2HG1 ILE 34 HG11 ILE 34 12.136 23.060 23.060 211 1HG2 ILE 34 HG23 ILE 34 13.908 21.067 21.067 212 2HG2 ILE 34 HG22 ILE 34 13.193 20.798 20.798 213 3HG2 ILE 34 HG21 ILE 34 12.268 21.623 21.623 214 1HD1 ILE 34 HD11 ILE 34 14.182 21.334 21.334 215 2HD1 ILE 34 HD13 ILE 34 14.554 22.705 22.705 216 3HD1 ILE 34 HD12 ILE 34 12.986 21.907 21.907 217 H VAL 35 HN VAL 35 16.222 20.543 20.543 218 HA VAL 35 HA VAL 35 17.291 21.814 21.814 219 HB VAL 35 HB VAL 35 17.705 19.076 19.076 220 1HG1 VAL 35 HG13 VAL 35 18.424 20.210 20.210 221 2HG1 VAL 35 HG12 VAL 35 19.547 19.099 19.099 222 3HG1 VAL 35 HG11 VAL 35 17.904 18.577 18.577 223 1HG2 VAL 35 HG22 VAL 35 18.841 21.385 21.385 224 2HG2 VAL 35 HG21 VAL 35 19.742 19.869 19.869 225 3HG2 VAL 35 HG23 VAL 35 19.896 21.010 21.010 226 H ASN 36 HN ASN 36 15.379 18.944 18.944 227 HA ASN 36 HA ASN 36 13.548 19.401 19.401 228 1HB ASN 36 HB2 ASN 36 15.747 18.074 18.074 229 2HB ASN 36 HB1 ASN 36 14.848 16.715 16.715 230 1HD2 ASN 36 HD22 ASN 36 12.849 16.462 16.462 231 2HD2 ASN 36 HD21 ASN 36 13.583 15.694 15.694 232 H ASN 37 HN ASN 37 12.657 16.629 16.629 233 HA ASN 37 HA ASN 37 11.199 15.221 15.221 234 1HB ASN 37 HB2 ASN 37 12.883 16.198 16.198 235 2HB ASN 37 HB1 ASN 37 11.695 14.900 14.900 236 1HD2 ASN 37 HD22 ASN 37 13.989 12.515 12.515 237 2HD2 ASN 37 HD21 ASN 37 12.602 12.862 12.862 238 H THR 38 HN THR 38 9.300 16.425 16.425 239 HA THR 38 HA THR 38 8.613 18.637 18.637 240 HB THR 38 HB THR 38 8.057 18.796 18.796 241 HG1 THR 38 HG1 THR 38 5.693 19.104 19.104 242 1HG2 THR 38 HG23 THR 38 7.147 16.127 16.127 243 2HG2 THR 38 HG22 THR 38 5.766 17.094 17.094 244 3HG2 THR 38 HG21 THR 38 7.214 17.012 17.012 245 H GLU 39 HN GLU 39 8.110 15.244 15.244 246 HA GLU 39 HA GLU 39 6.272 15.357 15.357 247 1HB GLU 39 HB2 GLU 39 5.488 14.618 14.618 248 2HB GLU 39 HB1 GLU 39 5.483 13.161 13.161 249 1HG GLU 39 HG2 GLU 39 3.699 13.865 13.865 250 2HG GLU 39 HG1 GLU 39 4.347 15.498 15.498 251 H GLY 40 HN GLY 40 5.873 12.510 12.510 252 1HA GLY 40 HA2 GLY 40 7.064 10.470 10.470 253 2HA GLY 40 HA1 GLY 40 8.572 11.318 11.318 254 H ASP 41 HN ASP 41 9.820 11.237 11.237 255 HA ASP 41 HA ASP 41 8.816 12.413 12.413 256 1HB ASP 41 HB2 ASP 41 8.692 9.557 9.557 257 2HB ASP 41 HB1 ASP 41 9.851 9.940 9.940 258 H TRP 42 HN TRP 42 11.114 12.505 12.505 259 HA TRP 42 HA TRP 42 13.191 13.060 13.060 260 1HB TRP 42 HB2 TRP 42 13.330 10.655 10.655 261 2HB TRP 42 HB1 TRP 42 14.814 11.509 11.509 262 HD1 TRP 42 HD1 TRP 42 12.352 9.007 9.007 263 HE1 TRP 42 HE1 TRP 42 12.974 8.596 8.596 264 HE3 TRP 42 HE3 TRP 42 15.632 12.668 12.668 265 HZ2 TRP 42 HZ2 TRP 42 14.757 9.763 9.763 266 HZ3 TRP 42 HZ3 TRP 42 16.807 13.064 13.064 267 HH2 TRP 42 HH2 TRP 42 16.372 11.610 11.610 268 H TRP 43 HN TRP 43 13.689 15.061 15.061 269 HA TRP 43 HA TRP 43 14.126 15.370 15.370 270 1HB TRP 43 HB2 TRP 43 13.688 17.589 17.589 271 2HB TRP 43 HB1 TRP 43 13.612 17.700 17.700 272 HD1 TRP 43 HD1 TRP 43 11.872 14.763 14.763 273 HE1 TRP 43 HE1 TRP 43 9.403 15.100 15.100 274 HE3 TRP 43 HE3 TRP 43 12.070 19.183 19.183 275 HZ2 TRP 43 HZ2 TRP 43 7.641 17.103 17.103 276 HZ3 TRP 43 HZ3 TRP 43 10.068 20.320 20.320 277 HH2 TRP 43 HH2 TRP 43 7.853 19.284 19.284 278 H LEU 44 HN LEU 44 15.929 16.875 16.875 279 HA LEU 44 HA LEU 44 18.161 16.658 16.658 280 1HB LEU 44 HB2 LEU 44 18.597 15.339 15.339 281 2HB LEU 44 HB1 LEU 44 18.241 16.730 16.730 282 HG LEU 44 HG LEU 44 20.123 17.900 17.900 283 1HD1 LEU 44 HD13 LEU 44 20.121 15.550 15.550 284 2HD1 LEU 44 HD12 LEU 44 21.354 15.204 15.204 285 3HD1 LEU 44 HD11 LEU 44 21.542 16.584 16.584 286 1HD2 LEU 44 HD22 LEU 44 20.046 16.937 16.937 287 2HD2 LEU 44 HD21 LEU 44 21.554 17.519 17.519 288 3HD2 LEU 44 HD23 LEU 44 21.208 15.790 15.790 289 H ALA 45 HN ALA 45 18.801 18.597 18.597 290 HA ALA 45 HA ALA 45 18.308 21.027 21.027 291 1HB ALA 45 HB2 ALA 45 16.866 20.823 20.823 292 2HB ALA 45 HB1 ALA 45 18.343 20.928 20.928 293 3HB ALA 45 HB3 ALA 45 17.856 22.281 22.281 294 H HIS 46 HN HIS 46 19.876 22.770 22.770 295 HA HIS 46 HA HIS 46 22.550 21.721 21.721 296 1HB HIS 46 HB2 HIS 46 22.875 22.236 22.236 297 2HB HIS 46 HB1 HIS 46 21.623 23.472 23.472 298 HD1 HIS 46 HD1 HIS 46 25.179 23.152 23.152 299 HD2 HIS 46 HD2 HIS 46 22.467 25.958 25.958 300 HE1 HIS 46 HE1 HIS 46 26.472 25.185 25.185 301 H SER 47 HN SER 47 23.206 22.557 22.557 302 HA SER 47 HA SER 47 21.929 24.702 24.702 303 1HB SER 47 HB2 SER 47 24.724 23.566 23.566 304 2HB SER 47 HB1 SER 47 23.992 24.706 24.706 305 HG SER 47 HG SER 47 22.366 23.205 23.205 306 H LEU 48 HN LEU 48 22.674 26.884 26.884 307 HA LEU 48 HA LEU 48 24.225 27.956 27.956 308 1HB LEU 48 HB2 LEU 48 22.432 29.401 29.401 309 2HB LEU 48 HB1 LEU 48 23.199 30.120 30.120 310 HG LEU 48 HG LEU 48 21.263 27.788 27.788 311 1HD1 LEU 48 HD11 LEU 48 20.492 30.239 30.239 312 2HD1 LEU 48 HD13 LEU 48 20.587 30.518 30.518 313 3HD1 LEU 48 HD12 LEU 48 19.523 29.263 29.263 314 1HD2 LEU 48 HD22 LEU 48 23.140 28.733 28.733 315 2HD2 LEU 48 HD21 LEU 48 21.768 27.681 27.681 316 3HD2 LEU 48 HD23 LEU 48 21.610 29.427 29.427 317 H THR 49 HN THR 49 25.173 26.752 26.752 318 HA THR 49 HA THR 49 26.683 29.107 29.107 319 HB THR 49 HB THR 49 27.236 26.670 26.670 320 HG1 THR 49 HG1 THR 49 25.259 25.945 25.945 321 1HG2 THR 49 HG23 THR 49 26.207 29.405 29.405 322 2HG2 THR 49 HG22 THR 49 25.727 28.196 28.196 323 3HG2 THR 49 HG21 THR 49 27.437 28.496 28.496 324 H THR 50 HN THR 50 27.660 25.687 25.687 325 HA THR 50 HA THR 50 30.326 26.491 26.491 326 HB THR 50 HB THR 50 30.821 24.052 24.052 327 HG1 THR 50 HG1 THR 50 28.435 23.659 23.659 328 1HG2 THR 50 HG23 THR 50 29.374 25.317 25.317 329 2HG2 THR 50 HG22 THR 50 30.374 23.869 23.869 330 3HG2 THR 50 HG21 THR 50 31.100 25.405 25.405 331 H GLY 51 HN GLY 51 27.384 25.672 25.672 332 1HA GLY 51 HA2 GLY 51 26.874 25.479 25.479 333 2HA GLY 51 HA1 GLY 51 28.583 25.734 25.734 334 H GLN 52 HN GLN 52 26.900 23.211 23.211 335 HA GLN 52 HA GLN 52 28.224 21.193 21.193 336 1HB GLN 52 HB2 GLN 52 27.596 21.090 21.090 337 2HB GLN 52 HB1 GLN 52 28.085 19.678 19.678 338 1HG GLN 52 HG2 GLN 52 29.842 21.966 21.966 339 2HG GLN 52 HG1 GLN 52 29.799 21.493 21.493 340 1HE2 GLN 52 HE22 GLN 52 31.239 18.254 18.254 341 2HE2 GLN 52 HE21 GLN 52 30.209 19.099 19.099 342 H THR 53 HN THR 53 26.931 18.952 18.952 343 HA THR 53 HA THR 53 24.148 19.563 19.563 344 HB THR 53 HB THR 53 25.392 16.816 16.816 345 HG1 THR 53 HG1 THR 53 25.448 18.298 18.298 346 1HG2 THR 53 HG21 THR 53 22.924 17.968 17.968 347 2HG2 THR 53 HG23 THR 53 23.788 17.179 17.179 348 3HG2 THR 53 HG22 THR 53 23.378 16.268 16.268 349 H GLY 54 HN GLY 54 22.350 18.365 18.365 350 1HA GLY 54 HA2 GLY 54 22.846 17.031 17.031 351 2HA GLY 54 HA1 GLY 54 22.115 18.626 18.626 352 H TYR 55 HN TYR 55 21.621 15.367 15.367 353 HA TYR 55 HA TYR 55 19.100 15.656 15.656 354 1HB TYR 55 HB2 TYR 55 20.359 13.404 13.404 355 2HB TYR 55 HB1 TYR 55 18.756 13.250 13.250 356 HD1 TYR 55 HD1 TYR 55 18.479 13.406 13.406 357 HD2 TYR 55 HD2 TYR 55 22.334 13.408 13.408 358 HE1 TYR 55 HE1 TYR 55 19.492 12.896 12.896 359 HE2 TYR 55 HE2 TYR 55 23.347 12.903 12.903 360 HH TYR 55 HH TYR 55 22.705 11.882 11.882 361 H ILE 56 HN ILE 56 17.672 17.036 17.036 362 HA ILE 56 HA ILE 56 17.148 16.577 16.577 363 HB ILE 56 HB ILE 56 15.717 18.561 18.561 364 1HG1 ILE 56 HG12 ILE 56 16.102 19.599 19.599 365 2HG1 ILE 56 HG11 ILE 56 15.872 17.883 17.883 366 1HG2 ILE 56 HG22 ILE 56 18.520 18.475 18.475 367 2HG2 ILE 56 HG21 ILE 56 17.701 19.892 19.892 368 3HG2 ILE 56 HG23 ILE 56 17.703 19.602 19.602 369 1HD1 ILE 56 HD12 ILE 56 14.018 19.563 19.563 370 2HD1 ILE 56 HD11 ILE 56 13.723 19.160 19.160 371 3HD1 ILE 56 HD13 ILE 56 13.771 17.883 17.883 372 HA PRO 57 HA PRO 57 13.890 13.705 13.705 373 1HB PRO 57 HB2 PRO 57 12.679 14.319 14.319 374 2HB PRO 57 HB1 PRO 57 13.577 12.870 12.870 375 1HG PRO 57 HG2 PRO 57 14.456 14.983 14.983 376 2HG PRO 57 HG1 PRO 57 15.385 13.576 13.576 377 1HD PRO 57 HD1 PRO 57 15.709 16.334 16.334 378 2HD PRO 57 HD2 PRO 57 16.667 14.927 14.927 379 H SER 58 HN SER 58 11.917 14.047 14.047 380 HA SER 58 HA SER 58 10.856 16.560 16.560 381 1HB SER 58 HB2 SER 58 9.059 15.448 15.448 382 2HB SER 58 HB1 SER 58 10.132 14.065 14.065 383 HG SER 58 HG SER 58 7.765 14.547 14.547 384 H ASN 59 HN ASN 59 10.425 14.554 14.554 385 HA ASN 59 HA ASN 59 8.544 16.531 16.531 386 1HB ASN 59 HB2 ASN 59 8.897 13.695 13.695 387 2HB ASN 59 HB1 ASN 59 9.160 14.429 14.429 388 1HD2 ASN 59 HD22 ASN 59 5.435 14.522 14.522 389 2HD2 ASN 59 HD21 ASN 59 6.770 14.003 14.003 390 H TYR 60 HN TYR 60 9.144 17.824 17.824 391 HA TYR 60 HA TYR 60 10.498 18.308 18.308 392 1HB TYR 60 HB2 TYR 60 12.774 17.274 17.274 393 2HB TYR 60 HB1 TYR 60 12.974 18.054 18.054 394 HD1 TYR 60 HD1 TYR 60 10.104 16.602 16.602 395 HD2 TYR 60 HD2 TYR 60 13.998 15.326 15.326 396 HE1 TYR 60 HE1 TYR 60 9.739 14.471 14.471 397 HE2 TYR 60 HE2 TYR 60 13.621 13.178 13.178 398 HH TYR 60 HH TYR 60 11.374 12.666 12.666 399 H VAL 61 HN VAL 61 10.130 19.244 19.244 400 HA VAL 61 HA VAL 61 11.296 21.913 21.913 401 HB VAL 61 HB VAL 61 12.978 21.063 21.063 402 1HG1 VAL 61 HG12 VAL 61 10.889 19.309 19.309 403 2HG1 VAL 61 HG11 VAL 61 11.584 20.076 20.076 404 3HG1 VAL 61 HG13 VAL 61 12.619 19.178 19.178 405 1HG2 VAL 61 HG21 VAL 61 12.086 23.212 23.212 406 2HG2 VAL 61 HG23 VAL 61 12.690 22.216 22.216 407 3HG2 VAL 61 HG22 VAL 61 10.956 22.338 22.338 408 H ALA 62 HN ALA 62 10.386 23.559 23.559 409 HA ALA 62 HA ALA 62 7.919 22.861 22.861 410 1HB ALA 62 HB3 ALA 62 7.796 24.513 24.513 411 2HB ALA 62 HB2 ALA 62 6.466 24.328 24.328 412 3HB ALA 62 HB1 ALA 62 7.063 22.929 22.929 413 HA PRO 63 HA PRO 63 9.334 26.353 26.353 414 1HB PRO 63 HB2 PRO 63 6.712 26.880 26.880 415 2HB PRO 63 HB1 PRO 63 8.052 26.051 26.051 416 1HG PRO 63 HG2 PRO 63 5.616 24.892 24.892 417 2HG PRO 63 HG1 PRO 63 6.943 24.067 24.067 418 1HD PRO 63 HD1 PRO 63 6.273 23.969 23.969 419 2HD PRO 63 HD2 PRO 63 7.610 23.148 23.148 420 H SER 64 HN SER 64 9.664 28.325 28.325 421 HA SER 64 HA SER 64 7.429 30.048 30.048 422 1HB SER 64 HB2 SER 64 7.713 30.145 30.145 423 2HB SER 64 HB1 SER 64 7.697 28.423 28.423 424 HG SER 64 HG SER 64 9.826 30.077 30.077 425 1H ALA 71 HT3 ALA 71 1.373 15.835 15.835 426 2H ALA 71 HT2 ALA 71 1.833 17.324 17.324 427 3H ALA 71 HT1 ALA 71 2.637 16.729 16.729 428 HA ALA 71 HA ALA 71 4.023 16.395 16.395 429 1HB ALA 71 HB1 ALA 71 1.595 16.034 16.034 430 2HB ALA 71 HB3 ALA 71 2.291 14.414 14.414 431 3HB ALA 71 HB2 ALA 71 3.189 15.751 15.751 432 H PHE 72 HN PHE 72 4.785 13.994 13.994 433 HA PHE 72 HA PHE 72 5.588 11.936 11.936 434 1HB PHE 72 HB2 PHE 72 2.775 12.083 12.083 435 2HB PHE 72 HB1 PHE 72 3.742 11.056 11.056 436 HD1 PHE 72 HD1 PHE 72 5.323 9.342 9.342 437 HD2 PHE 72 HD2 PHE 72 2.026 11.225 11.225 438 HE1 PHE 72 HE1 PHE 72 5.311 7.577 7.577 439 HE2 PHE 72 HE2 PHE 72 2.018 9.458 9.458 440 HZ PHE 72 HZ PHE 72 3.660 7.633 7.633 441 H ALA 73 HN ALA 73 7.133 13.549 13.549 442 HA ALA 73 HA ALA 73 6.888 14.307 14.307 443 1HB ALA 73 HB3 ALA 73 8.782 14.813 14.813 444 2HB ALA 73 HB2 ALA 73 9.494 13.300 13.300 445 3HB ALA 73 HB1 ALA 73 9.231 14.623 14.623 446 HA PRO 74 HA PRO 74 6.685 10.417 10.417 447 1HB PRO 74 HB2 PRO 74 7.695 11.592 11.592 448 2HB PRO 74 HB1 PRO 74 6.020 11.194 11.194 449 1HG PRO 74 HG2 PRO 74 7.218 13.813 13.813 450 2HG PRO 74 HG1 PRO 74 5.546 13.414 13.414 451 1HD PRO 74 HD1 PRO 74 7.639 14.353 14.353 452 2HD PRO 74 HD2 PRO 74 5.951 13.989 13.989 453 HA PRO 75 HA PRO 75 11.085 9.557 9.557 454 1HB PRO 75 HB2 PRO 75 10.461 6.767 6.767 455 2HB PRO 75 HB1 PRO 75 10.856 7.621 7.621 456 1HG PRO 75 HG2 PRO 75 8.282 6.616 6.616 457 2HG PRO 75 HG1 PRO 75 8.675 7.492 7.492 458 1HD PRO 75 HD1 PRO 75 7.218 8.458 8.458 459 2HD PRO 75 HD2 PRO 75 7.583 9.324 9.324 460 H LEU 76 HN LEU 76 12.703 9.139 9.139 461 HA LEU 76 HA LEU 76 12.291 9.363 9.363 462 1HB LEU 76 HB2 LEU 76 14.405 7.646 7.646 463 2HB LEU 76 HB1 LEU 76 14.473 8.238 8.238 464 HG LEU 76 HG LEU 76 14.267 10.021 10.021 465 1HD1 LEU 76 HD12 LEU 76 16.457 8.581 8.581 466 2HD1 LEU 76 HD11 LEU 76 16.709 9.921 9.921 467 3HD1 LEU 76 HD13 LEU 76 16.559 10.232 10.232 468 1HD2 LEU 76 HD22 LEU 76 13.687 10.512 10.512 469 2HD2 LEU 76 HD21 LEU 76 14.001 11.729 11.729 470 3HD2 LEU 76 HD23 LEU 76 15.316 11.150 11.150 471 HA PRO 77 HA PRO 77 10.140 5.483 5.483 472 1HB PRO 77 HB2 PRO 77 9.500 6.245 6.245 473 2HB PRO 77 HB1 PRO 77 8.479 6.462 6.462 474 1HG PRO 77 HG2 PRO 77 9.898 8.495 8.495 475 2HG PRO 77 HG1 PRO 77 8.752 8.724 8.724 476 1HD PRO 77 HD1 PRO 77 11.636 8.990 8.990 477 2HD PRO 77 HD2 PRO 77 10.480 9.279 9.279 478 H ARG 78 HN ARG 78 12.936 5.363 5.363 479 HA ARG 78 HA ARG 78 14.727 4.519 4.519 480 1HB ARG 78 HB2 ARG 78 13.374 2.550 2.550 481 2HB ARG 78 HB1 ARG 78 12.569 2.526 2.526 482 1HG ARG 78 HG2 ARG 78 14.419 1.719 1.719 483 2HG ARG 78 HG1 ARG 78 15.537 2.621 2.621 484 1HD ARG 78 HD2 ARG 78 15.624 0.966 0.966 485 2HD ARG 78 HD1 ARG 78 13.971 0.435 0.435 486 HE ARG 78 HE ARG 78 14.824 -1.081 -1.081 487 1HH1 ARG 78 HH21 ARG 78 17.100 1.402 1.402 488 2HH1 ARG 78 HH22 ARG 78 18.383 0.686 0.686 489 1HH2 ARG 78 HH11 ARG 78 16.491 -2.022 -2.022 490 2HH2 ARG 78 HH12 ARG 78 18.040 -1.249 -1.249 491 H ARG 79 HN ARG 79 14.086 6.567 6.567 492 HA ARG 79 HA ARG 79 13.948 7.394 7.394 493 1HB ARG 79 HB2 ARG 79 14.821 4.555 4.555 494 2HB ARG 79 HB1 ARG 79 14.872 5.907 5.907 495 1HG ARG 79 HG2 ARG 79 16.312 5.868 5.868 496 2HG ARG 79 HG1 ARG 79 17.073 5.472 5.472 497 1HD ARG 79 HD2 ARG 79 16.210 7.766 7.766 498 2HD ARG 79 HD1 ARG 79 15.929 8.120 8.120 499 HE ARG 79 HE ARG 79 18.614 7.140 7.140 500 1HH1 ARG 79 HH21 ARG 79 16.514 9.861 9.861 501 2HH1 ARG 79 HH22 ARG 79 17.792 11.024 11.024 502 1HH2 ARG 79 HH11 ARG 79 20.286 8.649 8.649 503 2HH2 ARG 79 HH12 ARG 79 19.923 10.340 10.340 Start of MODEL 10 1 1H THR 9 HT2 THR 9 14.167 27.775 27.775 2 2H THR 9 HT1 THR 9 13.756 29.422 29.422 3 3H THR 9 HT3 THR 9 15.355 28.942 28.942 4 HA THR 9 HA THR 9 15.765 28.364 28.364 5 HB THR 9 HB THR 9 14.109 30.512 30.512 6 HG1 THR 9 HG1 THR 9 15.275 30.832 30.832 7 1HG2 THR 9 HG21 THR 9 16.857 29.723 29.723 8 2HG2 THR 9 HG23 THR 9 16.725 31.395 31.395 9 3HG2 THR 9 HG22 THR 9 16.123 30.934 30.934 10 H PHE 10 HN PHE 10 14.876 26.545 26.545 11 HA PHE 10 HA PHE 10 12.001 26.646 26.646 12 1HB PHE 10 HB2 PHE 10 13.898 24.487 24.487 13 2HB PHE 10 HB1 PHE 10 12.783 24.109 24.109 14 HD1 PHE 10 HD2 PHE 10 12.056 26.460 26.460 15 HD2 PHE 10 HD1 PHE 10 11.356 22.561 22.561 16 HE1 PHE 10 HE2 PHE 10 10.248 26.129 26.129 17 HE2 PHE 10 HE1 PHE 10 9.547 22.235 22.235 18 HZ PHE 10 HZ PHE 10 8.993 24.016 24.016 19 H VAL 11 HN VAL 11 11.459 25.884 25.884 20 HA VAL 11 HA VAL 11 13.650 26.493 26.493 21 HB VAL 11 HB VAL 11 10.747 26.552 26.552 22 1HG1 VAL 11 HG13 VAL 11 13.267 27.257 27.257 23 2HG1 VAL 11 HG12 VAL 11 12.326 28.735 28.735 24 3HG1 VAL 11 HG11 VAL 11 11.664 27.385 27.385 25 1HG2 VAL 11 HG23 VAL 11 10.972 27.829 27.829 26 2HG2 VAL 11 HG22 VAL 11 10.542 28.851 28.851 27 3HG2 VAL 11 HG21 VAL 11 12.200 28.833 28.833 28 H ALA 12 HN ALA 12 13.997 25.029 25.029 29 HA ALA 12 HA ALA 12 12.844 22.342 22.342 30 1HB ALA 12 HB1 ALA 12 15.146 23.457 23.457 31 2HB ALA 12 HB3 ALA 12 14.495 21.872 21.872 32 3HB ALA 12 HB2 ALA 12 15.139 22.161 22.161 33 H LEU 13 HN LEU 13 10.791 22.258 22.258 34 HA LEU 13 HA LEU 13 9.967 23.630 23.630 35 1HB LEU 13 HB2 LEU 13 8.833 21.087 21.087 36 2HB LEU 13 HB1 LEU 13 8.019 22.146 22.146 37 HG LEU 13 HG LEU 13 8.886 22.872 22.872 38 1HD1 LEU 13 HD13 LEU 13 6.410 21.901 21.901 39 2HD1 LEU 13 HD12 LEU 13 6.185 23.399 23.399 40 3HD1 LEU 13 HD11 LEU 13 6.858 21.979 21.979 41 1HD2 LEU 13 HD22 LEU 13 8.199 24.491 24.491 42 2HD2 LEU 13 HD21 LEU 13 9.058 24.956 24.956 43 3HD2 LEU 13 HD23 LEU 13 7.295 24.911 24.911 44 H TYR 14 HN TYR 14 10.698 20.161 20.161 45 HA TYR 14 HA TYR 14 11.068 19.905 19.905 46 1HB TYR 14 HB2 TYR 14 11.153 17.640 17.640 47 2HB TYR 14 HB1 TYR 14 10.763 17.570 17.570 48 HD1 TYR 14 HD1 TYR 14 9.055 20.317 20.317 49 HD2 TYR 14 HD2 TYR 14 8.959 16.379 16.379 50 HE1 TYR 14 HE1 TYR 14 6.714 20.634 20.634 51 HE2 TYR 14 HE2 TYR 14 6.597 16.674 16.674 52 HH TYR 14 HH TYR 14 4.646 18.217 18.217 53 H ASP 15 HN ASP 15 13.056 19.364 19.364 54 HA ASP 15 HA ASP 15 15.427 20.016 20.016 55 1HB ASP 15 HB2 ASP 15 16.527 18.776 18.776 56 2HB ASP 15 HB1 ASP 15 15.588 20.229 20.229 57 H TYR 16 HN TYR 16 16.451 18.813 18.813 58 HA TYR 16 HA TYR 16 15.882 15.896 15.896 59 1HB TYR 16 HB2 TYR 16 15.524 17.134 17.134 60 2HB TYR 16 HB1 TYR 16 17.160 17.786 17.786 61 HD1 TYR 16 HD2 TYR 16 16.213 14.313 14.313 62 HD2 TYR 16 HD1 TYR 16 18.031 16.816 16.816 63 HE1 TYR 16 HE2 TYR 16 17.044 12.332 12.332 64 HE2 TYR 16 HE1 TYR 16 18.855 14.838 14.838 65 HH TYR 16 HH TYR 16 17.794 11.661 11.661 66 H GLU 17 HN GLU 17 17.329 14.716 14.716 67 HA GLU 17 HA GLU 17 20.198 15.561 15.561 68 1HB GLU 17 HB2 GLU 17 18.951 15.521 15.521 69 2HB GLU 17 HB1 GLU 17 18.986 13.764 13.764 70 1HG GLU 17 HG2 GLU 17 21.437 13.815 13.815 71 2HG GLU 17 HG1 GLU 17 21.420 15.574 15.574 72 H SER 18 HN SER 18 20.048 14.287 14.287 73 HA SER 18 HA SER 18 19.561 11.558 11.558 74 1HB SER 18 HB2 SER 18 20.218 12.855 12.855 75 2HB SER 18 HB1 SER 18 21.796 13.198 13.198 76 HG SER 18 HG SER 18 20.780 10.684 10.684 77 H ARG 19 HN ARG 19 21.302 9.785 9.785 78 HA ARG 19 HA ARG 19 23.129 10.032 10.032 79 1HB ARG 19 HB2 ARG 19 22.305 7.358 7.358 80 2HB ARG 19 HB1 ARG 19 22.655 7.848 7.848 81 1HG ARG 19 HG2 ARG 19 20.404 7.880 7.880 82 2HG ARG 19 HG1 ARG 19 20.459 9.398 9.398 83 1HD ARG 19 HD2 ARG 19 19.539 8.468 8.468 84 2HD ARG 19 HD1 ARG 19 20.497 6.996 6.996 85 HE ARG 19 HE ARG 19 18.377 7.205 7.205 86 1HH1 ARG 19 HH21 ARG 19 19.273 6.262 6.262 87 2HH1 ARG 19 HH22 ARG 19 18.005 5.092 5.092 88 1HH2 ARG 19 HH11 ARG 19 16.720 5.682 5.682 89 2HH2 ARG 19 HH12 ARG 19 16.564 4.763 4.763 90 H THR 20 HN THR 20 23.049 9.826 9.826 91 HA THR 20 HA THR 20 25.746 8.538 8.538 92 HB THR 20 HB THR 20 24.192 7.317 7.317 93 HG1 THR 20 HG1 THR 20 25.710 7.285 7.285 94 1HG2 THR 20 HG22 THR 20 23.186 10.013 10.013 95 2HG2 THR 20 HG21 THR 20 23.324 9.025 9.025 96 3HG2 THR 20 HG23 THR 20 22.351 8.461 8.461 97 H GLU 21 HN GLU 21 27.175 9.489 9.489 98 HA GLU 21 HA GLU 21 27.162 12.418 12.418 99 1HB GLU 21 HB2 GLU 21 29.341 12.138 12.138 100 2HB GLU 21 HB1 GLU 21 29.317 11.472 11.472 101 1HG GLU 21 HG2 GLU 21 29.510 9.342 9.342 102 2HG GLU 21 HG1 GLU 21 28.333 9.605 9.605 103 H THR 22 HN THR 22 25.298 10.705 10.705 104 HA THR 22 HA THR 22 26.008 11.739 11.739 105 HB THR 22 HB THR 22 23.575 10.202 10.202 106 HG1 THR 22 HG1 THR 22 24.940 8.626 8.626 107 1HG2 THR 22 HG21 THR 22 23.343 11.662 11.662 108 2HG2 THR 22 HG23 THR 22 24.519 10.583 10.583 109 3HG2 THR 22 HG22 THR 22 22.971 9.949 9.949 110 H ASP 23 HN ASP 23 22.785 11.809 11.809 111 HA ASP 23 HA ASP 23 22.157 14.359 14.359 112 1HB ASP 23 HB2 ASP 23 20.700 13.355 13.355 113 2HB ASP 23 HB1 ASP 23 20.056 14.115 14.115 114 H LEU 24 HN LEU 24 21.846 16.390 16.390 115 HA LEU 24 HA LEU 24 23.841 16.803 16.803 116 1HB LEU 24 HB2 LEU 24 22.169 18.601 18.601 117 2HB LEU 24 HB1 LEU 24 22.952 19.246 19.246 118 HG LEU 24 HG LEU 24 24.203 19.274 19.274 119 1HD1 LEU 24 HD13 LEU 24 25.437 18.461 18.461 120 2HD1 LEU 24 HD12 LEU 24 26.370 19.023 19.023 121 3HD1 LEU 24 HD11 LEU 24 25.209 20.100 20.100 122 1HD2 LEU 24 HD23 LEU 24 23.878 16.755 16.755 123 2HD2 LEU 24 HD22 LEU 24 25.531 17.332 17.332 124 3HD2 LEU 24 HD21 LEU 24 25.051 16.569 16.569 125 H SER 25 HN SER 25 23.297 17.734 17.734 126 HA SER 25 HA SER 25 20.493 17.132 17.132 127 1HB SER 25 HB2 SER 25 23.141 16.909 16.909 128 2HB SER 25 HB1 SER 25 21.836 17.500 17.500 129 HG SER 25 HG SER 25 22.213 15.021 15.021 130 H PHE 26 HN PHE 26 19.191 18.815 18.815 131 HA PHE 26 HA PHE 26 20.504 21.431 21.431 132 1HB PHE 26 HB2 PHE 26 18.399 22.452 22.452 133 2HB PHE 26 HB1 PHE 26 19.543 21.716 21.716 134 HD1 PHE 26 HD1 PHE 26 16.339 21.216 21.216 135 HD2 PHE 26 HD2 PHE 26 18.928 19.742 19.742 136 HE1 PHE 26 HE1 PHE 26 14.563 19.708 19.708 137 HE2 PHE 26 HE2 PHE 26 17.152 18.236 18.236 138 HZ PHE 26 HZ PHE 26 14.967 18.219 18.219 139 H LYS 27 HN LYS 27 18.998 22.894 22.894 140 HA LYS 27 HA LYS 27 17.533 21.236 21.236 141 1HB LYS 27 HB2 LYS 27 18.210 24.132 24.132 142 2HB LYS 27 HB1 LYS 27 18.061 22.840 22.840 143 1HG LYS 27 HG2 LYS 27 20.125 21.792 21.792 144 2HG LYS 27 HG1 LYS 27 20.294 23.174 23.174 145 1HD LYS 27 HD2 LYS 27 21.670 23.751 23.751 146 2HD LYS 27 HD1 LYS 27 20.166 24.604 24.604 147 1HE LYS 27 HE2 LYS 27 19.530 23.062 23.062 148 2HE LYS 27 HE1 LYS 27 20.607 21.811 21.811 149 1HZ LYS 27 HZ2 LYS 27 22.011 24.185 24.185 150 2HZ LYS 27 HZ1 LYS 27 21.143 23.524 23.524 151 3HZ LYS 27 HZ3 LYS 27 22.280 22.575 22.575 152 H LYS 28 HN LYS 28 15.799 22.960 22.960 153 HA LYS 28 HA LYS 28 13.786 23.295 23.295 154 1HB LYS 28 HB2 LYS 28 13.008 22.559 22.559 155 2HB LYS 28 HB1 LYS 28 13.809 23.903 23.903 156 1HG LYS 28 HG2 LYS 28 12.247 25.466 25.466 157 2HG LYS 28 HG1 LYS 28 11.768 24.466 24.466 158 1HD LYS 28 HD2 LYS 28 10.886 22.801 22.801 159 2HD LYS 28 HD1 LYS 28 11.028 24.140 24.140 160 1HE LYS 28 HE2 LYS 28 9.454 25.461 25.461 161 2HE LYS 28 HE1 LYS 28 9.554 24.429 24.429 162 1HZ LYS 28 HZ3 LYS 28 8.751 23.102 23.102 163 2HZ LYS 28 HZ2 LYS 28 7.640 24.236 24.236 164 3HZ LYS 28 HZ1 LYS 28 8.143 22.938 22.938 165 H GLY 29 HN GLY 29 14.006 25.022 25.022 166 1HA GLY 29 HA2 GLY 29 13.518 27.478 27.478 167 2HA GLY 29 HA1 GLY 29 14.628 27.668 27.668 168 H GLU 30 HN GLU 30 16.154 25.370 25.370 169 HA GLU 30 HA GLU 30 18.160 27.091 27.091 170 1HB GLU 30 HB2 GLU 30 18.490 24.686 24.686 171 2HB GLU 30 HB1 GLU 30 17.654 24.203 24.203 172 1HG GLU 30 HG2 GLU 30 20.034 24.161 24.161 173 2HG GLU 30 HG1 GLU 30 19.346 25.540 25.540 174 H ARG 31 HN ARG 31 18.630 27.589 27.589 175 HA ARG 31 HA ARG 31 16.301 27.227 27.227 176 1HB ARG 31 HB2 ARG 31 18.265 29.504 29.504 177 2HB ARG 31 HB1 ARG 31 17.273 29.319 29.319 178 1HG ARG 31 HG2 ARG 31 15.353 29.913 29.913 179 2HG ARG 31 HG1 ARG 31 15.820 29.087 29.087 180 1HD ARG 31 HD2 ARG 31 17.249 30.900 30.900 181 2HD ARG 31 HD1 ARG 31 17.114 31.663 31.663 182 HE ARG 31 HE ARG 31 15.182 31.877 31.877 183 1HH1 ARG 31 HH21 ARG 31 15.687 31.861 31.861 184 2HH1 ARG 31 HH22 ARG 31 14.281 32.811 32.811 185 1HH2 ARG 31 HH11 ARG 31 13.345 33.116 33.116 186 2HH2 ARG 31 HH12 ARG 31 12.957 33.521 33.521 187 H LEU 32 HN LEU 32 16.719 26.333 26.333 188 HA LEU 32 HA LEU 32 19.577 25.962 25.962 189 1HB LEU 32 HB2 LEU 32 17.444 23.804 23.804 190 2HB LEU 32 HB1 LEU 32 19.109 23.635 23.635 191 HG LEU 32 HG LEU 32 19.389 24.623 24.623 192 1HD1 LEU 32 HD12 LEU 32 17.028 22.754 22.754 193 2HD1 LEU 32 HD11 LEU 32 17.998 22.843 22.843 194 3HD1 LEU 32 HD13 LEU 32 17.148 24.274 24.274 195 1HD2 LEU 32 HD21 LEU 32 20.336 22.544 22.544 196 2HD2 LEU 32 HD23 LEU 32 20.649 22.733 22.733 197 3HD2 LEU 32 HD22 LEU 32 19.348 21.675 21.675 198 H GLN 33 HN GLN 33 19.391 24.781 24.781 199 HA GLN 33 HA GLN 33 17.496 26.496 26.496 200 1HB GLN 33 HB2 GLN 33 20.187 26.658 26.658 201 2HB GLN 33 HB1 GLN 33 19.919 25.379 25.379 202 1HG GLN 33 HG2 GLN 33 17.944 27.220 27.220 203 2HG GLN 33 HG1 GLN 33 19.314 28.242 28.242 204 1HE2 GLN 33 HE22 GLN 33 19.912 27.608 27.608 205 2HE2 GLN 33 HE21 GLN 33 18.946 28.591 28.591 206 H ILE 34 HN ILE 34 15.928 24.708 24.708 207 HA ILE 34 HA ILE 34 16.335 22.045 22.045 208 HB ILE 34 HB ILE 34 13.934 23.863 23.863 209 1HG1 ILE 34 HG12 ILE 34 14.699 23.136 23.136 210 2HG1 ILE 34 HG11 ILE 34 13.113 22.478 22.478 211 1HG2 ILE 34 HG23 ILE 34 14.394 21.221 21.221 212 2HG2 ILE 34 HG22 ILE 34 12.960 21.287 21.287 213 3HG2 ILE 34 HG21 ILE 34 13.128 22.403 22.403 214 1HD1 ILE 34 HD13 ILE 34 15.054 20.653 20.653 215 2HD1 ILE 34 HD12 ILE 34 15.521 21.056 21.056 216 3HD1 ILE 34 HD11 ILE 34 13.917 20.401 20.401 217 H VAL 35 HN VAL 35 16.407 20.988 20.988 218 HA VAL 35 HA VAL 35 16.601 22.742 22.742 219 HB VAL 35 HB VAL 35 17.816 20.005 20.005 220 1HG1 VAL 35 HG13 VAL 35 17.220 21.343 21.343 221 2HG1 VAL 35 HG12 VAL 35 18.956 21.534 21.534 222 3HG1 VAL 35 HG11 VAL 35 18.244 19.921 19.921 223 1HG2 VAL 35 HG23 VAL 35 18.665 22.696 22.696 224 2HG2 VAL 35 HG22 VAL 35 19.440 21.161 21.161 225 3HG2 VAL 35 HG21 VAL 35 19.790 21.959 21.959 226 H ASN 36 HN ASN 36 15.154 19.849 19.849 227 HA ASN 36 HA ASN 36 13.336 19.741 19.741 228 1HB ASN 36 HB2 ASN 36 15.099 17.882 17.882 229 2HB ASN 36 HB1 ASN 36 14.281 17.288 17.288 230 1HD2 ASN 36 HD22 ASN 36 11.531 15.948 15.948 231 2HD2 ASN 36 HD21 ASN 36 12.191 16.285 16.285 232 H ASN 37 HN ASN 37 11.181 18.918 18.918 233 HA ASN 37 HA ASN 37 10.347 18.124 18.124 234 1HB ASN 37 HB2 ASN 37 9.263 20.283 20.283 235 2HB ASN 37 HB1 ASN 37 11.026 20.292 20.292 236 1HD2 ASN 37 HD22 ASN 37 11.383 22.694 22.694 237 2HD2 ASN 37 HD21 ASN 37 12.185 21.504 21.504 238 H THR 38 HN THR 38 8.619 16.964 16.964 239 HA THR 38 HA THR 38 6.296 18.270 18.270 240 HB THR 38 HB THR 38 7.917 18.198 18.198 241 HG1 THR 38 HG1 THR 38 6.009 18.521 18.521 242 1HG2 THR 38 HG22 THR 38 8.687 15.865 15.865 243 2HG2 THR 38 HG21 THR 38 7.067 15.288 15.288 244 3HG2 THR 38 HG23 THR 38 8.044 16.070 16.070 245 H GLU 39 HN GLU 39 8.064 15.190 15.190 246 HA GLU 39 HA GLU 39 5.736 13.963 13.963 247 1HB GLU 39 HB2 GLU 39 6.236 13.603 13.603 248 2HB GLU 39 HB1 GLU 39 6.570 12.081 12.081 249 1HG GLU 39 HG2 GLU 39 4.386 11.773 11.773 250 2HG GLU 39 HG1 GLU 39 4.125 13.491 13.491 251 H GLY 40 HN GLY 40 9.021 13.587 13.587 252 1HA GLY 40 HA2 GLY 40 9.840 11.221 11.221 253 2HA GLY 40 HA1 GLY 40 10.900 12.623 12.623 254 H ASP 41 HN ASP 41 10.468 10.603 10.603 255 HA ASP 41 HA ASP 41 9.354 12.219 12.219 256 1HB ASP 41 HB2 ASP 41 9.587 9.536 9.536 257 2HB ASP 41 HB1 ASP 41 11.003 9.842 9.842 258 H TRP 42 HN TRP 42 12.307 12.122 12.122 259 HA TRP 42 HA TRP 42 13.600 13.555 13.555 260 1HB TRP 42 HB2 TRP 42 14.643 11.161 11.161 261 2HB TRP 42 HB1 TRP 42 15.774 12.357 12.357 262 HD1 TRP 42 HD1 TRP 42 13.622 9.441 9.441 263 HE1 TRP 42 HE1 TRP 42 13.847 9.257 9.257 264 HE3 TRP 42 HE3 TRP 42 15.960 13.717 13.717 265 HZ2 TRP 42 HZ2 TRP 42 14.949 10.839 10.839 266 HZ3 TRP 42 HZ3 TRP 42 16.618 14.419 14.419 267 HH2 TRP 42 HH2 TRP 42 16.111 12.981 12.981 268 H TRP 43 HN TRP 43 13.990 15.564 15.564 269 HA TRP 43 HA TRP 43 14.539 15.854 15.854 270 1HB TRP 43 HB2 TRP 43 14.083 18.005 18.005 271 2HB TRP 43 HB1 TRP 43 14.131 18.230 18.230 272 HD1 TRP 43 HD1 TRP 43 12.324 15.653 15.653 273 HE1 TRP 43 HE1 TRP 43 9.851 15.839 15.839 274 HE3 TRP 43 HE3 TRP 43 12.498 19.219 19.219 275 HZ2 TRP 43 HZ2 TRP 43 8.078 17.392 17.392 276 HZ3 TRP 43 HZ3 TRP 43 10.479 20.081 20.081 277 HH2 TRP 43 HH2 TRP 43 8.270 19.167 19.167 278 H LEU 44 HN LEU 44 16.298 17.411 17.411 279 HA LEU 44 HA LEU 44 18.653 17.027 17.027 280 1HB LEU 44 HB2 LEU 44 18.966 16.008 16.008 281 2HB LEU 44 HB1 LEU 44 18.462 17.491 17.491 282 HG LEU 44 HG LEU 44 20.788 17.536 17.536 283 1HD1 LEU 44 HD11 LEU 44 21.047 15.692 15.692 284 2HD1 LEU 44 HD13 LEU 44 21.062 16.989 16.989 285 3HD1 LEU 44 HD12 LEU 44 22.315 16.917 16.917 286 1HD2 LEU 44 HD23 LEU 44 19.609 19.240 19.240 287 2HD2 LEU 44 HD22 LEU 44 20.404 19.710 19.710 288 3HD2 LEU 44 HD21 LEU 44 21.370 19.224 19.224 289 H ALA 45 HN ALA 45 19.002 18.864 18.864 290 HA ALA 45 HA ALA 45 18.518 21.481 21.481 291 1HB ALA 45 HB3 ALA 45 17.601 20.538 20.538 292 2HB ALA 45 HB2 ALA 45 18.918 21.636 21.636 293 3HB ALA 45 HB1 ALA 45 17.561 22.208 22.208 294 H HIS 46 HN HIS 46 19.999 23.244 23.244 295 HA HIS 46 HA HIS 46 22.771 22.130 22.130 296 1HB HIS 46 HB2 HIS 46 22.437 23.233 23.233 297 2HB HIS 46 HB1 HIS 46 21.872 24.689 24.689 298 HD1 HIS 46 HD1 HIS 46 24.773 22.859 22.859 299 HD2 HIS 46 HD2 HIS 46 24.088 26.213 26.213 300 HE1 HIS 46 HE1 HIS 46 26.909 24.039 24.039 301 H SER 47 HN SER 47 24.024 22.986 22.986 302 HA SER 47 HA SER 47 22.608 24.561 24.561 303 1HB SER 47 HB2 SER 47 25.492 23.625 23.625 304 2HB SER 47 HB1 SER 47 24.602 24.212 24.212 305 HG SER 47 HG SER 47 23.070 22.393 22.393 306 H LEU 48 HN LEU 48 23.813 25.577 25.577 307 HA LEU 48 HA LEU 48 24.944 27.514 27.514 308 1HB LEU 48 HB2 LEU 48 23.451 28.565 28.565 309 2HB LEU 48 HB1 LEU 48 24.120 29.565 29.565 310 HG LEU 48 HG LEU 48 21.933 27.480 27.480 311 1HD1 LEU 48 HD13 LEU 48 21.660 30.031 30.031 312 2HD1 LEU 48 HD12 LEU 48 21.708 30.298 30.298 313 3HD1 LEU 48 HD11 LEU 48 20.476 29.248 29.248 314 1HD2 LEU 48 HD21 LEU 48 23.374 29.077 29.077 315 2HD2 LEU 48 HD23 LEU 48 23.415 27.326 27.326 316 3HD2 LEU 48 HD22 LEU 48 21.915 28.123 28.123 317 H THR 49 HN THR 49 26.405 25.833 25.833 318 HA THR 49 HA THR 49 27.974 27.944 27.944 319 HB THR 49 HB THR 49 28.023 24.928 24.928 320 HG1 THR 49 HG1 THR 49 27.020 26.934 26.934 321 1HG2 THR 49 HG22 THR 49 29.981 26.790 26.790 322 2HG2 THR 49 HG21 THR 49 29.079 26.593 26.593 323 3HG2 THR 49 HG23 THR 49 29.800 25.188 25.188 324 H THR 50 HN THR 50 29.721 25.047 25.047 325 HA THR 50 HA THR 50 31.492 26.472 26.472 326 HB THR 50 HB THR 50 32.826 24.228 24.228 327 HG1 THR 50 HG1 THR 50 31.515 24.202 24.202 328 1HG2 THR 50 HG23 THR 50 33.483 26.452 26.452 329 2HG2 THR 50 HG22 THR 50 32.414 26.226 26.226 330 3HG2 THR 50 HG21 THR 50 33.821 25.184 25.184 331 H GLY 51 HN GLY 51 28.772 25.185 25.185 332 1HA GLY 51 HA2 GLY 51 28.071 24.435 24.435 333 2HA GLY 51 HA1 GLY 51 29.718 23.901 23.901 334 H GLN 52 HN GLN 52 28.495 23.029 23.029 335 HA GLN 52 HA GLN 52 28.537 20.197 20.197 336 1HB GLN 52 HB2 GLN 52 28.216 21.717 21.717 337 2HB GLN 52 HB1 GLN 52 27.813 20.002 20.002 338 1HG GLN 52 HG2 GLN 52 30.317 20.390 20.390 339 2HG GLN 52 HG1 GLN 52 30.397 21.189 21.189 340 1HE2 GLN 52 HE22 GLN 52 31.272 17.913 17.913 341 2HE2 GLN 52 HE21 GLN 52 31.900 19.429 19.429 342 H THR 53 HN THR 53 26.760 19.065 19.065 343 HA THR 53 HA THR 53 24.115 20.372 20.372 344 HB THR 53 HB THR 53 25.261 18.045 18.045 345 HG1 THR 53 HG1 THR 53 23.485 20.102 20.102 346 1HG2 THR 53 HG23 THR 53 23.181 17.180 17.180 347 2HG2 THR 53 HG22 THR 53 22.289 18.533 18.533 348 3HG2 THR 53 HG21 THR 53 23.028 17.325 17.325 349 H GLY 54 HN GLY 54 22.246 18.905 18.905 350 1HA GLY 54 HA2 GLY 54 22.839 16.708 16.708 351 2HA GLY 54 HA1 GLY 54 22.354 18.176 18.176 352 H TYR 55 HN TYR 55 21.203 15.383 15.383 353 HA TYR 55 HA TYR 55 18.715 16.331 16.331 354 1HB TYR 55 HB2 TYR 55 19.038 13.595 13.595 355 2HB TYR 55 HB1 TYR 55 18.172 14.072 14.072 356 HD1 TYR 55 HD1 TYR 55 19.961 15.521 15.521 357 HD2 TYR 55 HD2 TYR 55 20.902 12.271 12.271 358 HE1 TYR 55 HE1 TYR 55 21.956 15.036 15.036 359 HE2 TYR 55 HE2 TYR 55 22.894 11.784 11.784 360 HH TYR 55 HH TYR 55 23.523 13.416 13.416 361 H ILE 56 HN ILE 56 17.178 17.320 17.320 362 HA ILE 56 HA ILE 56 17.002 16.658 16.658 363 HB ILE 56 HB ILE 56 15.586 18.660 18.660 364 1HG1 ILE 56 HG12 ILE 56 16.081 19.415 19.415 365 2HG1 ILE 56 HG11 ILE 56 14.877 18.155 18.155 366 1HG2 ILE 56 HG22 ILE 56 18.217 18.843 18.843 367 2HG2 ILE 56 HG21 ILE 56 17.324 20.306 20.306 368 3HG2 ILE 56 HG23 ILE 56 17.864 19.211 19.211 369 1HD1 ILE 56 HD13 ILE 56 14.208 19.966 19.966 370 2HD1 ILE 56 HD12 ILE 56 14.768 21.029 21.029 371 3HD1 ILE 56 HD11 ILE 56 13.453 19.893 19.893 372 HA PRO 57 HA PRO 57 13.480 14.102 14.102 373 1HB PRO 57 HB2 PRO 57 12.250 15.037 15.037 374 2HB PRO 57 HB1 PRO 57 13.170 13.548 13.548 375 1HG PRO 57 HG2 PRO 57 13.989 15.922 15.922 376 2HG PRO 57 HG1 PRO 57 14.905 14.428 14.428 377 1HD PRO 57 HD1 PRO 57 15.354 16.993 16.993 378 2HD PRO 57 HD2 PRO 57 16.274 15.493 15.493 379 H SER 58 HN SER 58 11.261 14.298 14.298 380 HA SER 58 HA SER 58 10.444 17.055 17.055 381 1HB SER 58 HB2 SER 58 9.461 16.074 16.074 382 2HB SER 58 HB1 SER 58 10.141 14.541 14.541 383 HG SER 58 HG SER 58 8.242 13.936 13.936 384 H ASN 59 HN ASN 59 10.289 15.579 15.579 385 HA ASN 59 HA ASN 59 7.462 16.410 16.410 386 1HB ASN 59 HB2 ASN 59 8.840 14.319 14.319 387 2HB ASN 59 HB1 ASN 59 7.114 14.575 14.575 388 1HD2 ASN 59 HD22 ASN 59 9.257 12.349 12.349 389 2HD2 ASN 59 HD21 ASN 59 10.058 13.234 13.234 390 H TYR 60 HN TYR 60 10.719 16.965 16.965 391 HA TYR 60 HA TYR 60 10.089 18.153 18.153 392 1HB TYR 60 HB2 TYR 60 12.768 17.441 17.441 393 2HB TYR 60 HB1 TYR 60 12.543 18.150 18.150 394 HD1 TYR 60 HD1 TYR 60 9.758 16.304 16.304 395 HD2 TYR 60 HD2 TYR 60 13.955 15.618 15.618 396 HE1 TYR 60 HE1 TYR 60 9.411 14.081 14.081 397 HE2 TYR 60 HE2 TYR 60 13.607 13.390 13.390 398 HH TYR 60 HH TYR 60 11.175 11.710 11.710 399 H VAL 61 HN VAL 61 10.005 19.126 19.126 400 HA VAL 61 HA VAL 61 10.960 21.852 21.852 401 HB VAL 61 HB VAL 61 12.796 21.152 21.152 402 1HG1 VAL 61 HG11 VAL 61 10.851 19.308 19.308 403 2HG1 VAL 61 HG13 VAL 61 11.798 20.046 20.046 404 3HG1 VAL 61 HG12 VAL 61 12.610 19.183 19.183 405 1HG2 VAL 61 HG23 VAL 61 10.833 22.285 22.285 406 2HG2 VAL 61 HG22 VAL 61 11.856 23.228 23.228 407 3HG2 VAL 61 HG21 VAL 61 12.585 22.251 22.251 408 H ALA 62 HN ALA 62 10.111 23.482 23.482 409 HA ALA 62 HA ALA 62 7.743 22.697 22.697 410 1HB ALA 62 HB3 ALA 62 7.073 23.026 23.026 411 2HB ALA 62 HB2 ALA 62 7.330 24.741 24.741 412 3HB ALA 62 HB1 ALA 62 6.117 23.847 23.847 413 HA PRO 63 HA PRO 63 8.942 26.105 26.105 414 1HB PRO 63 HB2 PRO 63 6.265 27.091 27.091 415 2HB PRO 63 HB1 PRO 63 7.254 26.124 26.124 416 1HG PRO 63 HG2 PRO 63 4.955 25.268 25.268 417 2HG PRO 63 HG1 PRO 63 5.953 24.297 24.297 418 1HD PRO 63 HD1 PRO 63 5.856 24.192 24.192 419 2HD PRO 63 HD2 PRO 63 6.853 23.212 23.212 420 H SER 64 HN SER 64 9.321 28.352 28.352 421 HA SER 64 HA SER 64 8.093 29.615 29.615 422 1HB SER 64 HB2 SER 64 10.733 29.087 29.087 423 2HB SER 64 HB1 SER 64 10.648 30.691 30.691 424 HG SER 64 HG SER 64 9.357 30.239 30.239 425 1H ALA 71 HT2 ALA 71 6.469 11.578 11.578 426 2H ALA 71 HT1 ALA 71 4.799 11.781 11.781 427 3H ALA 71 HT3 ALA 71 5.424 11.626 11.626 428 HA ALA 71 HA ALA 71 4.905 13.919 13.919 429 1HB ALA 71 HB3 ALA 71 5.181 13.608 13.608 430 2HB ALA 71 HB2 ALA 71 6.907 13.844 13.844 431 3HB ALA 71 HB1 ALA 71 5.766 15.126 15.126 432 H PHE 72 HN PHE 72 7.169 11.947 11.947 433 HA PHE 72 HA PHE 72 9.166 14.084 14.084 434 1HB PHE 72 HB2 PHE 72 9.776 11.780 11.780 435 2HB PHE 72 HB1 PHE 72 9.692 11.175 11.175 436 HD1 PHE 72 HD2 PHE 72 10.846 14.485 14.485 437 HD2 PHE 72 HD1 PHE 72 11.930 10.893 10.893 438 HE1 PHE 72 HE2 PHE 72 13.076 15.409 15.409 439 HE2 PHE 72 HE1 PHE 72 14.159 11.820 11.820 440 HZ PHE 72 HZ PHE 72 14.735 14.078 14.078 441 H ALA 73 HN ALA 73 9.838 14.324 14.324 442 HA ALA 73 HA ALA 73 7.939 14.304 14.304 443 1HB ALA 73 HB2 ALA 73 10.922 14.085 14.085 444 2HB ALA 73 HB1 ALA 73 10.054 13.830 13.830 445 3HB ALA 73 HB3 ALA 73 9.883 15.355 15.355 446 HA PRO 74 HA PRO 74 6.938 10.221 10.221 447 1HB PRO 74 HB2 PRO 74 7.242 10.669 10.669 448 2HB PRO 74 HB1 PRO 74 5.747 10.611 10.611 449 1HG PRO 74 HG2 PRO 74 7.025 12.934 12.934 450 2HG PRO 74 HG1 PRO 74 5.534 12.877 12.877 451 1HD PRO 74 HD1 PRO 74 8.109 13.886 13.886 452 2HD PRO 74 HD2 PRO 74 6.616 13.812 13.812 453 HA PRO 75 HA PRO 75 10.698 8.029 8.029 454 1HB PRO 75 HB2 PRO 75 9.445 5.875 5.875 455 2HB PRO 75 HB1 PRO 75 9.928 5.910 5.910 456 1HG PRO 75 HG2 PRO 75 7.253 6.017 6.017 457 2HG PRO 75 HG1 PRO 75 7.738 6.068 6.068 458 1HD PRO 75 HD1 PRO 75 6.721 8.232 8.232 459 2HD PRO 75 HD2 PRO 75 7.200 8.281 8.281 460 H LEU 76 HN LEU 76 12.161 8.681 8.681 461 HA LEU 76 HA LEU 76 11.596 9.583 9.583 462 1HB LEU 76 HB2 LEU 76 14.083 8.348 8.348 463 2HB LEU 76 HB1 LEU 76 14.043 8.934 8.934 464 HG LEU 76 HG LEU 76 13.165 10.660 10.660 465 1HD1 LEU 76 HD12 LEU 76 15.928 10.458 10.458 466 2HD1 LEU 76 HD11 LEU 76 15.425 11.659 11.659 467 3HD1 LEU 76 HD13 LEU 76 15.498 9.954 9.954 468 1HD2 LEU 76 HD23 LEU 76 13.512 10.934 10.934 469 2HD2 LEU 76 HD22 LEU 76 12.525 11.887 11.887 470 3HD2 LEU 76 HD21 LEU 76 14.245 12.240 12.240 471 HA PRO 77 HA PRO 77 10.351 5.819 5.819 472 1HB PRO 77 HB2 PRO 77 10.835 6.999 6.999 473 2HB PRO 77 HB1 PRO 77 9.283 6.761 6.761 474 1HG PRO 77 HG2 PRO 77 10.706 9.244 9.244 475 2HG PRO 77 HG1 PRO 77 9.142 9.008 9.008 476 1HD PRO 77 HD1 PRO 77 11.669 9.649 9.649 477 2HD PRO 77 HD2 PRO 77 10.102 9.402 9.402 478 H ARG 78 HN ARG 78 11.593 4.060 4.060 479 HA ARG 78 HA ARG 78 14.403 4.097 4.097 480 1HB ARG 78 HB2 ARG 78 12.390 2.156 2.156 481 2HB ARG 78 HB1 ARG 78 13.406 2.027 2.027 482 1HG ARG 78 HG2 ARG 78 14.959 2.379 2.379 483 2HG ARG 78 HG1 ARG 78 13.972 0.917 0.917 484 1HD ARG 78 HD2 ARG 78 15.077 -0.017 -0.017 485 2HD ARG 78 HD1 ARG 78 15.527 1.553 1.553 486 HE ARG 78 HE ARG 78 16.918 1.349 1.349 487 1HH1 ARG 78 HH21 ARG 78 16.622 -0.407 -0.407 488 2HH1 ARG 78 HH22 ARG 78 18.243 -1.013 -1.013 489 1HH2 ARG 78 HH11 ARG 78 19.033 0.565 0.565 490 2HH2 ARG 78 HH12 ARG 78 19.607 -0.465 -0.465 491 H ARG 79 HN ARG 79 15.344 5.644 5.644 492 HA ARG 79 HA ARG 79 14.613 6.442 6.442 493 1HB ARG 79 HB2 ARG 79 16.708 7.036 7.036 494 2HB ARG 79 HB1 ARG 79 17.525 5.960 5.960 495 1HG ARG 79 HG2 ARG 79 16.679 7.303 7.303 496 2HG ARG 79 HG1 ARG 79 15.850 8.374 8.374 497 1HD ARG 79 HD2 ARG 79 17.906 9.178 9.178 498 2HD ARG 79 HD1 ARG 79 18.831 7.884 7.884 499 HE ARG 79 HE ARG 79 17.432 9.574 9.574 500 1HH1 ARG 79 HH21 ARG 79 20.239 9.133 9.133 501 2HH1 ARG 79 HH22 ARG 79 21.261 10.087 10.087 502 1HH2 ARG 79 HH11 ARG 79 18.752 10.821 10.821 503 2HH2 ARG 79 HH12 ARG 79 20.421 11.041 11.041 Start of MODEL 11 1 1H THR 9 HT2 THR 9 12.519 29.691 29.691 2 2H THR 9 HT1 THR 9 12.675 30.843 30.843 3 3H THR 9 HT3 THR 9 13.814 30.790 30.790 4 HA THR 9 HA THR 9 14.607 28.652 28.652 5 HB THR 9 HB THR 9 14.586 29.986 29.986 6 HG1 THR 9 HG1 THR 9 15.824 31.778 31.778 7 1HG2 THR 9 HG22 THR 9 16.300 28.430 28.430 8 2HG2 THR 9 HG21 THR 9 16.989 30.037 30.037 9 3HG2 THR 9 HG23 THR 9 16.774 29.393 29.393 10 H PHE 10 HN PHE 10 14.589 27.116 27.116 11 HA PHE 10 HA PHE 10 11.759 26.697 26.697 12 1HB PHE 10 HB2 PHE 10 13.903 24.851 24.851 13 2HB PHE 10 HB1 PHE 10 12.885 24.278 24.278 14 HD1 PHE 10 HD2 PHE 10 11.829 26.608 26.608 15 HD2 PHE 10 HD1 PHE 10 11.584 22.630 22.630 16 HE1 PHE 10 HE2 PHE 10 10.029 26.115 26.115 17 HE2 PHE 10 HE1 PHE 10 9.786 22.140 22.140 18 HZ PHE 10 HZ PHE 10 9.006 23.881 23.881 19 H VAL 11 HN VAL 11 11.440 25.929 25.929 20 HA VAL 11 HA VAL 11 13.723 26.613 26.613 21 HB VAL 11 HB VAL 11 10.733 26.859 26.859 22 1HG1 VAL 11 HG12 VAL 11 13.079 26.892 26.892 23 2HG1 VAL 11 HG11 VAL 11 11.827 28.103 28.103 24 3HG1 VAL 11 HG13 VAL 11 11.417 26.387 26.387 25 1HG2 VAL 11 HG21 VAL 11 11.881 28.608 28.608 26 2HG2 VAL 11 HG23 VAL 11 11.156 29.238 29.238 27 3HG2 VAL 11 HG22 VAL 11 12.898 28.981 28.981 28 H ALA 12 HN ALA 12 13.965 25.271 25.271 29 HA ALA 12 HA ALA 12 13.097 22.490 22.490 30 1HB ALA 12 HB3 ALA 12 15.098 23.812 23.812 31 2HB ALA 12 HB2 ALA 12 14.565 22.162 22.162 32 3HB ALA 12 HB1 ALA 12 15.356 22.548 22.548 33 H LEU 13 HN LEU 13 11.014 22.154 22.154 34 HA LEU 13 HA LEU 13 9.849 23.514 23.514 35 1HB LEU 13 HB2 LEU 13 8.991 21.007 21.007 36 2HB LEU 13 HB1 LEU 13 8.010 21.848 21.848 37 HG LEU 13 HG LEU 13 9.118 23.238 23.238 38 1HD1 LEU 13 HD12 LEU 13 6.827 21.394 21.394 39 2HD1 LEU 13 HD11 LEU 13 6.441 22.936 22.936 40 3HD1 LEU 13 HD13 LEU 13 7.694 21.899 21.899 41 1HD2 LEU 13 HD22 LEU 13 6.902 23.856 23.856 42 2HD2 LEU 13 HD21 LEU 13 8.433 24.716 24.716 43 3HD2 LEU 13 HD23 LEU 13 7.226 24.800 24.800 44 H TYR 14 HN TYR 14 11.968 20.851 20.851 45 HA TYR 14 HA TYR 14 11.797 20.387 20.387 46 1HB TYR 14 HB2 TYR 14 11.465 18.085 18.085 47 2HB TYR 14 HB1 TYR 14 11.428 18.000 18.000 48 HD1 TYR 14 HD2 TYR 14 9.619 19.224 19.224 49 HD2 TYR 14 HD1 TYR 14 9.465 18.698 18.698 50 HE1 TYR 14 HE2 TYR 14 7.230 19.773 19.773 51 HE2 TYR 14 HE1 TYR 14 7.069 19.228 19.228 52 HH TYR 14 HH TYR 14 5.151 19.008 19.008 53 H ASP 15 HN ASP 15 13.736 19.444 19.444 54 HA ASP 15 HA ASP 15 16.091 19.914 19.914 55 1HB ASP 15 HB2 ASP 15 17.211 18.740 18.740 56 2HB ASP 15 HB1 ASP 15 16.375 20.259 20.259 57 H TYR 16 HN TYR 16 16.909 18.531 18.531 58 HA TYR 16 HA TYR 16 16.148 15.655 15.655 59 1HB TYR 16 HB2 TYR 16 15.583 16.602 16.602 60 2HB TYR 16 HB1 TYR 16 17.166 17.366 17.366 61 HD1 TYR 16 HD2 TYR 16 16.041 13.904 13.904 62 HD2 TYR 16 HD1 TYR 16 18.435 16.302 16.302 63 HE1 TYR 16 HE2 TYR 16 16.914 11.881 11.881 64 HE2 TYR 16 HE1 TYR 16 19.310 14.274 14.274 65 HH TYR 16 HH TYR 16 19.620 11.834 11.834 66 H GLU 17 HN GLU 17 17.665 14.347 14.347 67 HA GLU 17 HA GLU 17 20.488 15.243 15.243 68 1HB GLU 17 HB2 GLU 17 18.874 13.890 13.890 69 2HB GLU 17 HB1 GLU 17 19.904 12.620 12.620 70 1HG GLU 17 HG2 GLU 17 21.863 14.244 14.244 71 2HG GLU 17 HG1 GLU 17 20.736 15.169 15.169 72 H SER 18 HN SER 18 21.049 14.896 14.896 73 HA SER 18 HA SER 18 20.550 12.653 12.653 74 1HB SER 18 HB2 SER 18 22.191 13.459 13.459 75 2HB SER 18 HB1 SER 18 22.068 14.865 14.865 76 HG SER 18 HG SER 18 24.139 13.218 13.218 77 H ARG 19 HN ARG 19 21.435 10.579 10.579 78 HA ARG 19 HA ARG 19 23.114 9.751 9.751 79 1HB ARG 19 HB2 ARG 19 21.126 8.330 8.330 80 2HB ARG 19 HB1 ARG 19 22.368 7.401 7.401 81 1HG ARG 19 HG2 ARG 19 21.635 8.202 8.202 82 2HG ARG 19 HG1 ARG 19 20.570 9.396 9.396 83 1HD ARG 19 HD2 ARG 19 18.909 7.885 7.885 84 2HD ARG 19 HD1 ARG 19 19.990 6.721 6.721 85 HE ARG 19 HE ARG 19 20.262 5.667 5.667 86 1HH1 ARG 19 HH21 ARG 19 18.891 8.825 8.825 87 2HH1 ARG 19 HH22 ARG 19 18.537 8.655 8.655 88 1HH2 ARG 19 HH11 ARG 19 19.809 5.439 5.439 89 2HH2 ARG 19 HH12 ARG 19 19.056 6.742 6.742 90 H THR 20 HN THR 20 23.102 10.101 10.101 91 HA THR 20 HA THR 20 25.709 8.642 8.642 92 HB THR 20 HB THR 20 23.518 9.054 9.054 93 HG1 THR 20 HG1 THR 20 25.017 6.776 6.776 94 1HG2 THR 20 HG21 THR 20 26.378 8.203 8.203 95 2HG2 THR 20 HG23 THR 20 25.061 8.104 8.104 96 3HG2 THR 20 HG22 THR 20 25.610 9.677 9.677 97 H GLU 21 HN GLU 21 27.213 9.627 9.627 98 HA GLU 21 HA GLU 21 27.659 12.396 12.396 99 1HB GLU 21 HB2 GLU 21 29.266 10.444 10.444 100 2HB GLU 21 HB1 GLU 21 28.905 11.213 11.213 101 1HG GLU 21 HG2 GLU 21 29.394 13.397 13.397 102 2HG GLU 21 HG1 GLU 21 30.503 12.215 12.215 103 H THR 22 HN THR 22 26.796 10.873 10.873 104 HA THR 22 HA THR 22 26.473 13.103 13.103 105 HB THR 22 HB THR 22 25.979 11.108 11.108 106 HG1 THR 22 HG1 THR 22 24.499 12.554 12.554 107 1HG2 THR 22 HG21 THR 22 24.049 10.534 10.534 108 2HG2 THR 22 HG23 THR 22 24.184 9.543 9.543 109 3HG2 THR 22 HG22 THR 22 25.556 9.689 9.689 110 H ASP 23 HN ASP 23 24.047 11.939 11.939 111 HA ASP 23 HA ASP 23 22.351 14.278 14.278 112 1HB ASP 23 HB2 ASP 23 21.836 12.589 12.589 113 2HB ASP 23 HB1 ASP 23 20.705 13.214 13.214 114 H LEU 24 HN LEU 24 22.512 16.182 16.182 115 HA LEU 24 HA LEU 24 24.440 16.392 16.392 116 1HB LEU 24 HB2 LEU 24 23.266 18.211 18.211 117 2HB LEU 24 HB1 LEU 24 23.382 18.910 18.910 118 HG LEU 24 HG LEU 24 25.741 18.516 18.516 119 1HD1 LEU 24 HD13 LEU 24 25.120 16.621 16.621 120 2HD1 LEU 24 HD12 LEU 24 26.695 17.414 17.414 121 3HD1 LEU 24 HD11 LEU 24 26.236 16.438 16.438 122 1HD2 LEU 24 HD23 LEU 24 24.956 19.451 19.451 123 2HD2 LEU 24 HD22 LEU 24 25.147 20.463 20.463 124 3HD2 LEU 24 HD21 LEU 24 26.553 19.675 19.675 125 H SER 25 HN SER 25 23.750 17.809 17.809 126 HA SER 25 HA SER 25 20.975 17.058 17.058 127 1HB SER 25 HB2 SER 25 22.538 17.924 17.924 128 2HB SER 25 HB1 SER 25 21.929 16.305 16.305 129 HG SER 25 HG SER 25 24.028 15.956 15.956 130 H PHE 26 HN PHE 26 19.601 18.690 18.690 131 HA PHE 26 HA PHE 26 20.748 21.431 21.431 132 1HB PHE 26 HB2 PHE 26 18.765 22.311 22.311 133 2HB PHE 26 HB1 PHE 26 19.879 21.361 21.361 134 HD1 PHE 26 HD2 PHE 26 16.595 21.360 21.360 135 HD2 PHE 26 HD1 PHE 26 19.214 19.187 19.187 136 HE1 PHE 26 HE2 PHE 26 14.753 19.851 19.851 137 HE2 PHE 26 HE1 PHE 26 17.369 17.682 17.682 138 HZ PHE 26 HZ PHE 26 15.140 18.009 18.009 139 H LYS 27 HN LYS 27 20.156 22.212 22.212 140 HA LYS 27 HA LYS 27 18.105 20.963 20.963 141 1HB LYS 27 HB2 LYS 27 19.527 23.622 23.622 142 2HB LYS 27 HB1 LYS 27 18.552 22.818 22.818 143 1HG LYS 27 HG2 LYS 27 20.229 21.392 21.392 144 2HG LYS 27 HG1 LYS 27 20.568 21.045 21.045 145 1HD LYS 27 HD2 LYS 27 21.353 23.757 23.757 146 2HD LYS 27 HD1 LYS 27 22.126 22.609 22.609 147 1HE LYS 27 HE2 LYS 27 23.191 21.462 21.462 148 2HE LYS 27 HE1 LYS 27 22.070 22.084 22.084 149 1HZ LYS 27 HZ2 LYS 27 23.890 23.857 23.857 150 2HZ LYS 27 HZ1 LYS 27 24.361 23.113 23.113 151 3HZ LYS 27 HZ3 LYS 27 23.049 24.191 24.191 152 H LYS 28 HN LYS 28 16.270 22.333 22.333 153 HA LYS 28 HA LYS 28 14.564 23.242 23.242 154 1HB LYS 28 HB2 LYS 28 13.557 22.402 22.402 155 2HB LYS 28 HB1 LYS 28 14.416 23.584 23.584 156 1HG LYS 28 HG2 LYS 28 13.007 25.306 25.306 157 2HG LYS 28 HG1 LYS 28 12.706 24.645 24.645 158 1HD LYS 28 HD2 LYS 28 10.907 23.452 23.452 159 2HD LYS 28 HD1 LYS 28 11.717 22.938 22.938 160 1HE LYS 28 HE2 LYS 28 11.360 25.630 25.630 161 2HE LYS 28 HE1 LYS 28 9.905 25.216 25.216 162 1HZ LYS 28 HZ1 LYS 28 10.227 23.155 23.155 163 2HZ LYS 28 HZ3 LYS 28 10.624 24.533 24.533 164 3HZ LYS 28 HZ2 LYS 28 9.115 24.432 24.432 165 H GLY 29 HN GLY 29 14.121 25.316 25.316 166 1HA GLY 29 HA2 GLY 29 14.188 27.720 27.720 167 2HA GLY 29 HA1 GLY 29 15.385 27.616 27.616 168 H GLU 30 HN GLU 30 16.231 25.423 25.423 169 HA GLU 30 HA GLU 30 18.360 27.228 27.228 170 1HB GLU 30 HB2 GLU 30 18.762 24.819 24.819 171 2HB GLU 30 HB1 GLU 30 17.956 24.319 24.319 172 1HG GLU 30 HG2 GLU 30 19.914 24.574 24.574 173 2HG GLU 30 HG1 GLU 30 19.821 26.304 26.304 174 H ARG 31 HN ARG 31 18.701 27.631 27.631 175 HA ARG 31 HA ARG 31 16.243 27.229 27.229 176 1HB ARG 31 HB2 ARG 31 18.390 29.360 29.360 177 2HB ARG 31 HB1 ARG 31 16.970 29.225 29.225 178 1HG ARG 31 HG2 ARG 31 15.488 29.606 29.606 179 2HG ARG 31 HG1 ARG 31 16.837 29.541 29.541 180 1HD ARG 31 HD2 ARG 31 16.672 31.832 31.832 181 2HD ARG 31 HD1 ARG 31 17.767 31.485 31.485 182 HE ARG 31 HE ARG 31 15.166 31.254 31.254 183 1HH1 ARG 31 HH21 ARG 31 17.169 33.617 33.617 184 2HH1 ARG 31 HH22 ARG 31 16.431 34.955 34.955 185 1HH2 ARG 31 HH11 ARG 31 14.197 32.993 32.993 186 2HH2 ARG 31 HH12 ARG 31 14.751 34.603 34.603 187 H LEU 32 HN LEU 32 16.476 25.847 25.847 188 HA LEU 32 HA LEU 32 19.211 25.498 25.498 189 1HB LEU 32 HB2 LEU 32 17.167 23.293 23.293 190 2HB LEU 32 HB1 LEU 32 18.807 23.113 23.113 191 HG LEU 32 HG LEU 32 19.196 24.433 24.433 192 1HD1 LEU 32 HD11 LEU 32 16.690 23.862 23.862 193 2HD1 LEU 32 HD13 LEU 32 17.249 22.201 22.201 194 3HD1 LEU 32 HD12 LEU 32 17.828 23.462 23.462 195 1HD2 LEU 32 HD23 LEU 32 19.785 21.913 21.913 196 2HD2 LEU 32 HD22 LEU 32 20.657 22.724 22.724 197 3HD2 LEU 32 HD21 LEU 32 19.338 21.617 21.617 198 H GLN 33 HN GLN 33 19.222 24.999 24.999 199 HA GLN 33 HA GLN 33 16.850 26.055 26.055 200 1HB GLN 33 HB2 GLN 33 19.100 26.824 26.824 201 2HB GLN 33 HB1 GLN 33 19.548 25.164 25.164 202 1HG GLN 33 HG2 GLN 33 17.092 25.689 25.689 203 2HG GLN 33 HG1 GLN 33 18.140 27.076 27.076 204 1HE2 GLN 33 HE22 GLN 33 20.625 25.092 25.092 205 2HE2 GLN 33 HE21 GLN 33 20.480 26.433 26.433 206 H ILE 34 HN ILE 34 15.594 24.833 24.833 207 HA ILE 34 HA ILE 34 15.827 21.897 21.897 208 HB ILE 34 HB ILE 34 13.647 23.533 23.533 209 1HG1 ILE 34 HG12 ILE 34 13.807 24.088 24.088 210 2HG1 ILE 34 HG11 ILE 34 12.397 23.062 23.062 211 1HG2 ILE 34 HG22 ILE 34 13.738 20.647 20.647 212 2HG2 ILE 34 HG21 ILE 34 12.329 21.456 21.456 213 3HG2 ILE 34 HG23 ILE 34 13.758 21.178 21.178 214 1HD1 ILE 34 HD11 ILE 34 13.791 21.080 21.080 215 2HD1 ILE 34 HD13 ILE 34 15.110 22.184 22.184 216 3HD1 ILE 34 HD12 ILE 34 13.606 22.249 22.249 217 H VAL 35 HN VAL 35 16.775 20.696 20.696 218 HA VAL 35 HA VAL 35 17.552 21.930 21.930 219 HB VAL 35 HB VAL 35 17.887 19.094 19.094 220 1HG1 VAL 35 HG11 VAL 35 18.593 20.463 20.463 221 2HG1 VAL 35 HG13 VAL 35 19.817 19.402 19.402 222 3HG1 VAL 35 HG12 VAL 35 18.221 18.765 18.765 223 1HG2 VAL 35 HG21 VAL 35 19.048 21.018 21.018 224 2HG2 VAL 35 HG23 VAL 35 20.102 19.745 19.745 225 3HG2 VAL 35 HG22 VAL 35 19.968 21.276 21.276 226 H ASN 36 HN ASN 36 15.632 19.052 19.052 227 HA ASN 36 HA ASN 36 13.669 19.671 19.671 228 1HB ASN 36 HB2 ASN 36 15.878 18.192 18.192 229 2HB ASN 36 HB1 ASN 36 14.673 16.956 16.956 230 1HD2 ASN 36 HD22 ASN 36 13.406 17.557 17.557 231 2HD2 ASN 36 HD21 ASN 36 14.153 16.445 16.445 232 H ASN 37 HN ASN 37 11.749 18.414 18.414 233 HA ASN 37 HA ASN 37 11.606 16.136 16.136 234 1HB ASN 37 HB2 ASN 37 10.559 17.123 17.123 235 2HB ASN 37 HB1 ASN 37 12.061 18.001 18.001 236 1HD2 ASN 37 HD22 ASN 37 10.432 21.052 21.052 237 2HD2 ASN 37 HD21 ASN 37 11.905 20.209 20.209 238 H THR 38 HN THR 38 9.408 15.331 15.331 239 HA THR 38 HA THR 38 7.111 16.715 16.715 240 HB THR 38 HB THR 38 8.423 16.668 16.668 241 HG1 THR 38 HG1 THR 38 6.232 14.992 14.992 242 1HG2 THR 38 HG21 THR 38 9.398 14.370 14.370 243 2HG2 THR 38 HG23 THR 38 7.839 13.703 13.703 244 3HG2 THR 38 HG22 THR 38 8.816 14.597 14.597 245 H GLU 39 HN GLU 39 8.745 13.562 13.562 246 HA GLU 39 HA GLU 39 6.334 12.417 12.417 247 1HB GLU 39 HB2 GLU 39 7.324 11.781 11.781 248 2HB GLU 39 HB1 GLU 39 7.357 10.360 10.360 249 1HG GLU 39 HG2 GLU 39 5.139 10.149 10.149 250 2HG GLU 39 HG1 GLU 39 4.916 11.654 11.654 251 H GLY 40 HN GLY 40 9.767 12.085 12.085 252 1HA GLY 40 HA2 GLY 40 10.447 9.851 9.851 253 2HA GLY 40 HA1 GLY 40 11.523 11.230 11.230 254 H ASP 41 HN ASP 41 10.550 9.440 9.440 255 HA ASP 41 HA ASP 41 9.370 11.354 11.354 256 1HB ASP 41 HB2 ASP 41 10.700 8.664 8.664 257 2HB ASP 41 HB1 ASP 41 9.978 9.600 9.600 258 H TRP 42 HN TRP 42 12.402 11.212 11.212 259 HA TRP 42 HA TRP 42 13.552 12.643 12.643 260 1HB TRP 42 HB2 TRP 42 14.709 10.351 10.351 261 2HB TRP 42 HB1 TRP 42 15.794 11.567 11.567 262 HD1 TRP 42 HD1 TRP 42 13.517 8.666 8.666 263 HE1 TRP 42 HE1 TRP 42 13.788 8.388 8.388 264 HE3 TRP 42 HE3 TRP 42 16.194 12.722 12.722 265 HZ2 TRP 42 HZ2 TRP 42 15.053 9.824 9.824 266 HZ3 TRP 42 HZ3 TRP 42 16.961 13.304 13.304 267 HH2 TRP 42 HH2 TRP 42 16.390 11.856 11.856 268 H TRP 43 HN TRP 43 13.753 14.707 14.707 269 HA TRP 43 HA TRP 43 14.349 15.206 15.206 270 1HB TRP 43 HB2 TRP 43 13.938 17.182 17.182 271 2HB TRP 43 HB1 TRP 43 13.957 17.554 17.554 272 HD1 TRP 43 HD1 TRP 43 12.200 14.618 14.618 273 HE1 TRP 43 HE1 TRP 43 9.714 14.924 14.924 274 HE3 TRP 43 HE3 TRP 43 12.292 18.866 18.866 275 HZ2 TRP 43 HZ2 TRP 43 7.893 16.858 16.858 276 HZ3 TRP 43 HZ3 TRP 43 10.244 19.972 19.972 277 HH2 TRP 43 HH2 TRP 43 8.045 18.970 18.970 278 H LEU 44 HN LEU 44 16.090 16.872 16.872 279 HA LEU 44 HA LEU 44 18.444 16.423 16.423 280 1HB LEU 44 HB2 LEU 44 18.506 15.349 15.349 281 2HB LEU 44 HB1 LEU 44 18.554 16.985 16.985 282 HG LEU 44 HG LEU 44 20.569 17.405 17.405 283 1HD1 LEU 44 HD13 LEU 44 20.377 14.395 14.395 284 2HD1 LEU 44 HD12 LEU 44 21.760 15.366 15.366 285 3HD1 LEU 44 HD11 LEU 44 20.205 15.579 15.579 286 1HD2 LEU 44 HD23 LEU 44 20.393 15.669 15.669 287 2HD2 LEU 44 HD22 LEU 44 21.384 17.101 17.101 288 3HD2 LEU 44 HD21 LEU 44 21.907 15.534 15.534 289 H ALA 45 HN ALA 45 18.697 18.313 18.313 290 HA ALA 45 HA ALA 45 18.215 20.881 20.881 291 1HB ALA 45 HB2 ALA 45 18.095 20.007 20.007 292 2HB ALA 45 HB1 ALA 45 18.644 21.655 21.655 293 3HB ALA 45 HB3 ALA 45 17.060 21.135 21.135 294 H HIS 46 HN HIS 46 19.802 22.609 22.609 295 HA HIS 46 HA HIS 46 22.562 21.587 21.587 296 1HB HIS 46 HB2 HIS 46 22.485 21.879 21.879 297 2HB HIS 46 HB1 HIS 46 21.517 23.346 23.346 298 HD1 HIS 46 HD1 HIS 46 24.977 22.241 22.241 299 HD2 HIS 46 HD2 HIS 46 22.970 25.673 25.673 300 HE1 HIS 46 HE1 HIS 46 26.681 23.989 23.989 301 H SER 47 HN SER 47 23.722 22.819 22.819 302 HA SER 47 HA SER 47 22.383 25.136 25.136 303 1HB SER 47 HB2 SER 47 25.061 23.842 23.842 304 2HB SER 47 HB1 SER 47 24.284 25.089 25.089 305 HG SER 47 HG SER 47 23.960 22.543 22.543 306 H LEU 48 HN LEU 48 23.946 27.076 27.076 307 HA LEU 48 HA LEU 48 25.343 27.766 27.766 308 1HB LEU 48 HB2 LEU 48 24.133 29.699 29.699 309 2HB LEU 48 HB1 LEU 48 24.727 30.067 30.067 310 HG LEU 48 HG LEU 48 22.404 28.218 28.218 311 1HD1 LEU 48 HD13 LEU 48 22.608 31.120 31.120 312 2HD1 LEU 48 HD12 LEU 48 21.479 30.375 30.375 313 3HD1 LEU 48 HD11 LEU 48 21.261 30.155 30.155 314 1HD2 LEU 48 HD21 LEU 48 23.858 27.864 27.864 315 2HD2 LEU 48 HD23 LEU 48 22.118 28.029 28.029 316 3HD2 LEU 48 HD22 LEU 48 23.186 29.396 29.396 317 H THR 49 HN THR 49 25.366 28.830 28.830 318 HA THR 49 HA THR 49 27.918 29.902 29.902 319 HB THR 49 HB THR 49 26.765 28.074 28.074 320 HG1 THR 49 HG1 THR 49 25.236 29.503 29.503 321 1HG2 THR 49 HG21 THR 49 29.122 29.728 29.728 322 2HG2 THR 49 HG23 THR 49 28.053 30.345 30.345 323 3HG2 THR 49 HG22 THR 49 28.612 28.674 28.674 324 H THR 50 HN THR 50 27.299 26.519 26.519 325 HA THR 50 HA THR 50 30.111 25.866 25.866 326 HB THR 50 HB THR 50 27.929 23.965 23.965 327 HG1 THR 50 HG1 THR 50 29.307 25.963 25.963 328 1HG2 THR 50 HG21 THR 50 30.949 23.994 23.994 329 2HG2 THR 50 HG23 THR 50 29.936 22.856 22.856 330 3HG2 THR 50 HG22 THR 50 29.940 22.843 22.843 331 H GLY 51 HN GLY 51 27.189 25.909 25.909 332 1HA GLY 51 HA2 GLY 51 26.605 25.084 25.084 333 2HA GLY 51 HA1 GLY 51 28.327 24.801 24.801 334 H GLN 52 HN GLN 52 28.442 22.710 22.710 335 HA GLN 52 HA GLN 52 28.283 20.371 20.371 336 1HB GLN 52 HB2 GLN 52 27.780 21.052 21.052 337 2HB GLN 52 HB1 GLN 52 27.780 19.386 19.386 338 1HG GLN 52 HG2 GLN 52 30.071 21.233 21.233 339 2HG GLN 52 HG1 GLN 52 30.015 20.384 20.384 340 1HE2 GLN 52 HE22 GLN 52 31.329 18.393 18.393 341 2HE2 GLN 52 HE21 GLN 52 31.247 20.085 20.085 342 H THR 53 HN THR 53 26.650 18.622 18.622 343 HA THR 53 HA THR 53 23.880 19.749 19.749 344 HB THR 53 HB THR 53 25.198 17.477 17.477 345 HG1 THR 53 HG1 THR 53 23.837 19.861 19.861 346 1HG2 THR 53 HG22 THR 53 22.239 18.089 18.089 347 2HG2 THR 53 HG21 THR 53 22.952 16.953 16.953 348 3HG2 THR 53 HG23 THR 53 23.051 16.638 16.638 349 H GLY 54 HN GLY 54 22.161 18.093 18.093 350 1HA GLY 54 HA2 GLY 54 22.974 15.879 15.879 351 2HA GLY 54 HA1 GLY 54 22.414 17.259 17.259 352 H TYR 55 HN TYR 55 21.376 14.408 14.408 353 HA TYR 55 HA TYR 55 18.842 15.066 15.066 354 1HB TYR 55 HB2 TYR 55 19.986 12.601 12.601 355 2HB TYR 55 HB1 TYR 55 18.309 12.650 12.650 356 HD1 TYR 55 HD2 TYR 55 17.789 13.030 13.030 357 HD2 TYR 55 HD1 TYR 55 21.777 12.437 12.437 358 HE1 TYR 55 HE2 TYR 55 18.490 12.509 12.509 359 HE2 TYR 55 HE1 TYR 55 22.479 11.914 11.914 360 HH TYR 55 HH TYR 55 20.150 11.612 11.612 361 H ILE 56 HN ILE 56 17.708 16.546 16.546 362 HA ILE 56 HA ILE 56 17.361 15.972 15.972 363 HB ILE 56 HB ILE 56 15.943 18.000 18.000 364 1HG1 ILE 56 HG12 ILE 56 16.521 18.074 18.074 365 2HG1 ILE 56 HG11 ILE 56 14.980 17.570 17.570 366 1HG2 ILE 56 HG21 ILE 56 18.441 18.163 18.163 367 2HG2 ILE 56 HG23 ILE 56 18.475 18.370 18.370 368 3HG2 ILE 56 HG22 ILE 56 17.694 19.582 19.582 369 1HD1 ILE 56 HD12 ILE 56 15.931 20.116 20.116 370 2HD1 ILE 56 HD11 ILE 56 15.681 20.176 20.176 371 3HD1 ILE 56 HD13 ILE 56 14.355 19.707 19.707 372 HA PRO 57 HA PRO 57 13.857 13.361 13.361 373 1HB PRO 57 HB2 PRO 57 12.691 14.254 14.254 374 2HB PRO 57 HB1 PRO 57 13.610 12.773 12.773 375 1HG PRO 57 HG2 PRO 57 14.461 15.132 15.132 376 2HG PRO 57 HG1 PRO 57 15.367 13.638 13.638 377 1HD PRO 57 HD1 PRO 57 15.801 16.212 16.212 378 2HD PRO 57 HD2 PRO 57 16.702 14.711 14.711 379 H SER 58 HN SER 58 11.638 13.567 13.567 380 HA SER 58 HA SER 58 10.795 16.307 16.307 381 1HB SER 58 HB2 SER 58 9.530 15.325 15.325 382 2HB SER 58 HB1 SER 58 10.521 13.907 13.907 383 HG SER 58 HG SER 58 8.328 13.386 13.386 384 H ASN 59 HN ASN 59 10.851 15.601 15.601 385 HA ASN 59 HA ASN 59 8.033 16.247 16.247 386 1HB ASN 59 HB2 ASN 59 9.109 13.627 13.627 387 2HB ASN 59 HB1 ASN 59 8.896 14.342 14.342 388 1HD2 ASN 59 HD22 ASN 59 5.296 14.915 14.915 389 2HD2 ASN 59 HD21 ASN 59 6.621 15.859 15.859 390 H TYR 60 HN TYR 60 10.983 17.282 17.282 391 HA TYR 60 HA TYR 60 10.699 18.218 18.218 392 1HB TYR 60 HB2 TYR 60 13.141 17.207 17.207 393 2HB TYR 60 HB1 TYR 60 13.298 18.342 18.342 394 HD1 TYR 60 HD1 TYR 60 11.330 15.239 15.239 395 HD2 TYR 60 HD2 TYR 60 13.616 17.375 17.375 396 HE1 TYR 60 HE1 TYR 60 11.054 13.393 13.393 397 HE2 TYR 60 HE2 TYR 60 13.344 15.525 15.525 398 HH TYR 60 HH TYR 60 11.177 13.405 13.405 399 H VAL 61 HN VAL 61 10.365 19.190 19.190 400 HA VAL 61 HA VAL 61 11.300 21.936 21.936 401 HB VAL 61 HB VAL 61 13.114 21.271 21.271 402 1HG1 VAL 61 HG11 VAL 61 11.231 19.326 19.326 403 2HG1 VAL 61 HG13 VAL 61 11.978 20.121 20.121 404 3HG1 VAL 61 HG12 VAL 61 12.986 19.329 19.329 405 1HG2 VAL 61 HG22 VAL 61 12.073 23.315 23.315 406 2HG2 VAL 61 HG21 VAL 61 12.808 22.361 22.361 407 3HG2 VAL 61 HG23 VAL 61 11.061 22.333 22.333 408 H ALA 62 HN ALA 62 10.332 23.516 23.516 409 HA ALA 62 HA ALA 62 7.959 22.604 22.604 410 1HB ALA 62 HB2 ALA 62 7.786 23.942 23.942 411 2HB ALA 62 HB1 ALA 62 6.633 24.438 24.438 412 3HB ALA 62 HB3 ALA 62 6.709 22.752 22.752 413 HA PRO 63 HA PRO 63 8.940 26.072 26.072 414 1HB PRO 63 HB2 PRO 63 6.193 26.731 26.731 415 2HB PRO 63 HB1 PRO 63 7.331 25.855 25.855 416 1HG PRO 63 HG2 PRO 63 5.078 24.783 24.783 417 2HG PRO 63 HG1 PRO 63 6.216 23.908 23.908 418 1HD PRO 63 HD1 PRO 63 6.025 23.842 23.842 419 2HD PRO 63 HD2 PRO 63 7.166 22.964 22.964 420 H SER 64 HN SER 64 9.690 27.624 27.624 421 HA SER 64 HA SER 64 8.085 29.937 29.937 422 1HB SER 64 HB2 SER 64 7.618 29.809 29.809 423 2HB SER 64 HB1 SER 64 6.980 28.340 28.340 424 HG SER 64 HG SER 64 8.488 28.326 28.326 425 1H ALA 71 HT3 ALA 71 4.698 14.507 14.507 426 2H ALA 71 HT2 ALA 71 3.441 15.598 15.598 427 3H ALA 71 HT1 ALA 71 3.115 14.164 14.164 428 HA ALA 71 HA ALA 71 3.417 15.238 15.238 429 1HB ALA 71 HB2 ALA 71 3.210 17.285 17.285 430 2HB ALA 71 HB1 ALA 71 4.783 17.625 17.625 431 3HB ALA 71 HB3 ALA 71 3.346 17.515 17.515 432 H PHE 72 HN PHE 72 5.319 13.415 13.415 433 HA PHE 72 HA PHE 72 8.014 14.521 14.521 434 1HB PHE 72 HB2 PHE 72 7.307 12.188 12.188 435 2HB PHE 72 HB1 PHE 72 7.222 11.738 11.738 436 HD1 PHE 72 HD1 PHE 72 9.515 13.164 13.164 437 HD2 PHE 72 HD2 PHE 72 9.208 11.224 11.224 438 HE1 PHE 72 HE1 PHE 72 11.951 12.856 12.856 439 HE2 PHE 72 HE2 PHE 72 11.644 10.918 10.918 440 HZ PHE 72 HZ PHE 72 13.018 11.732 11.732 441 H ALA 73 HN ALA 73 9.266 14.911 14.911 442 HA ALA 73 HA ALA 73 8.158 15.649 15.649 443 1HB ALA 73 HB1 ALA 73 10.604 15.864 15.864 444 2HB ALA 73 HB3 ALA 73 10.837 14.258 14.258 445 3HB ALA 73 HB2 ALA 73 10.344 15.598 15.598 446 HA PRO 74 HA PRO 74 6.680 12.037 12.037 447 1HB PRO 74 HB2 PRO 74 7.526 12.902 12.902 448 2HB PRO 74 HB1 PRO 74 5.903 12.968 12.968 449 1HG PRO 74 HG2 PRO 74 7.709 15.169 15.169 450 2HG PRO 74 HG1 PRO 74 6.092 15.232 15.232 451 1HD PRO 74 HD1 PRO 74 8.630 15.568 15.568 452 2HD PRO 74 HD2 PRO 74 7.007 15.644 15.644 453 HA PRO 75 HA PRO 75 10.297 9.504 9.504 454 1HB PRO 75 HB2 PRO 75 8.898 7.491 7.491 455 2HB PRO 75 HB1 PRO 75 9.276 7.492 7.492 456 1HG PRO 75 HG2 PRO 75 6.699 7.893 7.893 457 2HG PRO 75 HG1 PRO 75 7.069 7.845 7.845 458 1HD PRO 75 HD1 PRO 75 6.393 10.148 10.148 459 2HD PRO 75 HD2 PRO 75 6.794 10.104 10.104 460 H LEU 76 HN LEU 76 11.869 9.052 9.052 461 HA LEU 76 HA LEU 76 11.502 10.418 10.418 462 1HB LEU 76 HB2 LEU 76 13.757 8.686 8.686 463 2HB LEU 76 HB1 LEU 76 13.816 9.571 9.571 464 HG LEU 76 HG LEU 76 13.158 10.972 10.972 465 1HD1 LEU 76 HD11 LEU 76 15.877 10.309 10.309 466 2HD1 LEU 76 HD13 LEU 76 15.622 11.621 11.621 467 3HD1 LEU 76 HD12 LEU 76 15.278 9.956 9.956 468 1HD2 LEU 76 HD23 LEU 76 12.797 11.987 11.987 469 2HD2 LEU 76 HD22 LEU 76 13.764 12.937 12.937 470 3HD2 LEU 76 HD21 LEU 76 14.555 12.005 12.005 471 HA PRO 77 HA PRO 77 9.832 7.053 7.053 472 1HB PRO 77 HB2 PRO 77 11.078 7.913 7.913 473 2HB PRO 77 HB1 PRO 77 9.406 8.170 8.170 474 1HG PRO 77 HG2 PRO 77 11.538 10.118 10.118 475 2HG PRO 77 HG1 PRO 77 9.861 10.382 10.382 476 1HD PRO 77 HD1 PRO 77 12.209 10.335 10.335 477 2HD PRO 77 HD2 PRO 77 10.525 10.600 10.600 478 H ARG 78 HN ARG 78 10.875 5.610 5.610 479 HA ARG 78 HA ARG 78 13.467 4.628 4.628 480 1HB ARG 78 HB2 ARG 78 12.906 2.466 2.466 481 2HB ARG 78 HB1 ARG 78 11.514 3.041 3.041 482 1HG ARG 78 HG2 ARG 78 10.672 4.017 4.017 483 2HG ARG 78 HG1 ARG 78 11.893 3.000 3.000 484 1HD ARG 78 HD2 ARG 78 10.708 1.230 1.230 485 2HD ARG 78 HD1 ARG 78 9.341 2.244 2.244 486 HE ARG 78 HE ARG 78 9.468 1.336 1.336 487 1HH1 ARG 78 HH21 ARG 78 12.331 0.727 0.727 488 2HH1 ARG 78 HH22 ARG 78 13.011 -0.347 -0.347 489 1HH2 ARG 78 HH11 ARG 78 10.345 -0.062 -0.062 490 2HH2 ARG 78 HH12 ARG 78 11.887 -0.796 -0.796 491 H ARG 79 HN ARG 79 15.215 4.286 4.286 492 HA ARG 79 HA ARG 79 15.463 6.010 6.010 493 1HB ARG 79 HB2 ARG 79 17.006 3.523 3.523 494 2HB ARG 79 HB1 ARG 79 17.472 4.567 4.567 495 1HG ARG 79 HG2 ARG 79 17.736 6.463 6.463 496 2HG ARG 79 HG1 ARG 79 17.079 5.543 5.543 497 1HD ARG 79 HD2 ARG 79 19.012 3.888 3.888 498 2HD ARG 79 HD1 ARG 79 19.720 5.161 5.161 499 HE ARG 79 HE ARG 79 19.555 5.153 5.153 500 1HH1 ARG 79 HH21 ARG 79 19.722 7.034 7.034 501 2HH1 ARG 79 HH22 ARG 79 20.429 8.409 8.409 502 1HH2 ARG 79 HH11 ARG 79 20.475 6.938 6.938 503 2HH2 ARG 79 HH12 ARG 79 20.854 8.355 8.355 Start of MODEL 12 1 1H THR 9 HT2 THR 9 15.049 27.405 27.405 2 2H THR 9 HT1 THR 9 14.260 28.678 28.678 3 3H THR 9 HT3 THR 9 15.941 28.735 28.735 4 HA THR 9 HA THR 9 15.770 29.190 29.190 5 HB THR 9 HB THR 9 13.214 30.515 30.515 6 HG1 THR 9 HG1 THR 9 14.107 31.560 31.560 7 1HG2 THR 9 HG22 THR 9 15.683 31.114 31.114 8 2HG2 THR 9 HG21 THR 9 14.877 32.467 32.467 9 3HG2 THR 9 HG23 THR 9 14.000 31.481 31.481 10 H PHE 10 HN PHE 10 14.875 26.666 26.666 11 HA PHE 10 HA PHE 10 12.115 26.596 26.596 12 1HB PHE 10 HB2 PHE 10 14.262 24.591 24.591 13 2HB PHE 10 HB1 PHE 10 13.026 24.166 24.166 14 HD1 PHE 10 HD2 PHE 10 12.262 26.480 26.480 15 HD2 PHE 10 HD1 PHE 10 12.074 22.416 22.416 16 HE1 PHE 10 HE2 PHE 10 10.689 25.983 25.983 17 HE2 PHE 10 HE1 PHE 10 10.500 21.925 21.925 18 HZ PHE 10 HZ PHE 10 9.807 23.708 23.708 19 H VAL 11 HN VAL 11 11.658 25.805 25.805 20 HA VAL 11 HA VAL 11 13.775 26.701 26.701 21 HB VAL 11 HB VAL 11 10.873 26.554 26.554 22 1HG1 VAL 11 HG13 VAL 11 13.005 27.140 27.140 23 2HG1 VAL 11 HG12 VAL 11 12.798 28.729 28.729 24 3HG1 VAL 11 HG11 VAL 11 11.494 28.023 28.023 25 1HG2 VAL 11 HG23 VAL 11 12.202 28.721 28.721 26 2HG2 VAL 11 HG22 VAL 11 10.771 27.783 27.783 27 3HG2 VAL 11 HG21 VAL 11 10.696 28.962 28.962 28 H ALA 12 HN ALA 12 13.879 25.492 25.492 29 HA ALA 12 HA ALA 12 13.346 22.621 22.621 30 1HB ALA 12 HB3 ALA 12 15.548 23.330 23.330 31 2HB ALA 12 HB2 ALA 12 14.758 24.041 24.041 32 3HB ALA 12 HB1 ALA 12 14.707 22.297 22.297 33 H LEU 13 HN LEU 13 11.252 22.078 22.078 34 HA LEU 13 HA LEU 13 9.766 23.384 23.384 35 1HB LEU 13 HB2 LEU 13 9.156 21.158 21.158 36 2HB LEU 13 HB1 LEU 13 8.057 21.553 21.553 37 HG LEU 13 HG LEU 13 9.062 23.570 23.570 38 1HD1 LEU 13 HD12 LEU 13 6.549 21.893 21.893 39 2HD1 LEU 13 HD11 LEU 13 6.624 23.407 23.407 40 3HD1 LEU 13 HD13 LEU 13 7.685 22.067 22.067 41 1HD2 LEU 13 HD22 LEU 13 6.887 23.646 23.646 42 2HD2 LEU 13 HD21 LEU 13 8.398 24.557 24.557 43 3HD2 LEU 13 HD23 LEU 13 7.167 24.914 24.914 44 H TYR 14 HN TYR 14 11.410 20.290 20.290 45 HA TYR 14 HA TYR 14 10.938 19.712 19.712 46 1HB TYR 14 HB2 TYR 14 11.011 17.771 17.771 47 2HB TYR 14 HB1 TYR 14 11.016 17.284 17.284 48 HD1 TYR 14 HD1 TYR 14 9.132 19.726 19.726 49 HD2 TYR 14 HD2 TYR 14 8.918 16.700 16.700 50 HE1 TYR 14 HE1 TYR 14 6.709 20.028 20.028 51 HE2 TYR 14 HE2 TYR 14 6.481 16.963 16.963 52 HH TYR 14 HH TYR 14 4.776 19.109 19.109 53 H ASP 15 HN ASP 15 12.713 18.704 18.704 54 HA ASP 15 HA ASP 15 15.316 19.543 19.543 55 1HB ASP 15 HB2 ASP 15 14.594 17.504 17.504 56 2HB ASP 15 HB1 ASP 15 16.153 18.311 18.311 57 H TYR 16 HN TYR 16 16.913 18.378 18.378 58 HA TYR 16 HA TYR 16 16.233 15.558 15.558 59 1HB TYR 16 HB2 TYR 16 15.897 17.074 17.074 60 2HB TYR 16 HB1 TYR 16 17.558 17.643 17.643 61 HD1 TYR 16 HD1 TYR 16 16.607 14.135 14.135 62 HD2 TYR 16 HD2 TYR 16 18.267 16.850 16.850 63 HE1 TYR 16 HE1 TYR 16 17.393 12.249 12.249 64 HE2 TYR 16 HE2 TYR 16 19.049 14.964 14.964 65 HH TYR 16 HH TYR 16 18.045 12.228 12.228 66 H GLU 17 HN GLU 17 17.649 14.506 14.506 67 HA GLU 17 HA GLU 17 20.506 15.374 15.374 68 1HB GLU 17 HB2 GLU 17 19.109 15.074 15.074 69 2HB GLU 17 HB1 GLU 17 19.401 13.356 13.356 70 1HG GLU 17 HG2 GLU 17 21.820 13.751 13.751 71 2HG GLU 17 HG1 GLU 17 21.559 15.485 15.485 72 H SER 18 HN SER 18 20.397 14.246 14.246 73 HA SER 18 HA SER 18 20.009 11.525 11.525 74 1HB SER 18 HB2 SER 18 22.272 11.968 11.968 75 2HB SER 18 HB1 SER 18 20.652 12.442 12.442 76 HG SER 18 HG SER 18 21.019 14.480 14.480 77 H ARG 19 HN ARG 19 21.420 9.677 9.677 78 HA ARG 19 HA ARG 19 23.275 9.796 9.796 79 1HB ARG 19 HB2 ARG 19 22.798 7.301 7.301 80 2HB ARG 19 HB1 ARG 19 23.030 7.489 7.489 81 1HG ARG 19 HG2 ARG 19 20.762 8.834 8.834 82 2HG ARG 19 HG1 ARG 19 20.551 7.909 7.909 83 1HD ARG 19 HD2 ARG 19 20.848 6.879 6.879 84 2HD ARG 19 HD1 ARG 19 19.550 6.560 6.560 85 HE ARG 19 HE ARG 19 22.086 5.142 5.142 86 1HH1 ARG 19 HH21 ARG 19 19.502 6.228 6.228 87 2HH1 ARG 19 HH22 ARG 19 19.726 4.979 4.979 88 1HH2 ARG 19 HH11 ARG 19 22.386 3.509 3.509 89 2HH2 ARG 19 HH12 ARG 19 21.356 3.442 3.442 90 H THR 20 HN THR 20 23.324 9.251 9.251 91 HA THR 20 HA THR 20 26.309 9.097 9.097 92 HB THR 20 HB THR 20 25.236 7.114 7.114 93 HG1 THR 20 HG1 THR 20 26.208 7.604 7.604 94 1HG2 THR 20 HG22 THR 20 23.999 9.221 9.221 95 2HG2 THR 20 HG21 THR 20 24.112 7.530 7.530 96 3HG2 THR 20 HG23 THR 20 23.183 7.972 7.972 97 H GLU 21 HN GLU 21 27.189 9.959 9.959 98 HA GLU 21 HA GLU 21 26.556 12.772 12.772 99 1HB GLU 21 HB2 GLU 21 28.342 10.943 10.943 100 2HB GLU 21 HB1 GLU 21 27.946 12.506 12.506 101 1HG GLU 21 HG2 GLU 21 30.031 12.475 12.475 102 2HG GLU 21 HG1 GLU 21 28.830 13.691 13.691 103 H THR 22 HN THR 22 26.756 11.373 11.373 104 HA THR 22 HA THR 22 25.283 11.794 11.794 105 HB THR 22 HB THR 22 22.996 10.511 10.511 106 HG1 THR 22 HG1 THR 22 23.329 9.414 9.414 107 1HG2 THR 22 HG21 THR 22 24.906 10.020 10.020 108 2HG2 THR 22 HG23 THR 22 25.460 8.882 8.882 109 3HG2 THR 22 HG22 THR 22 23.845 8.717 8.717 110 H ASP 23 HN ASP 23 22.569 11.642 11.642 111 HA ASP 23 HA ASP 23 21.459 14.097 14.097 112 1HB ASP 23 HB2 ASP 23 20.728 12.692 12.692 113 2HB ASP 23 HB1 ASP 23 19.704 13.753 13.753 114 H LEU 24 HN LEU 24 21.677 16.172 16.172 115 HA LEU 24 HA LEU 24 23.766 16.727 16.727 116 1HB LEU 24 HB2 LEU 24 21.910 18.331 18.331 117 2HB LEU 24 HB1 LEU 24 22.581 19.121 19.121 118 HG LEU 24 HG LEU 24 24.240 17.678 17.678 119 1HD1 LEU 24 HD11 LEU 24 23.421 20.556 20.556 120 2HD1 LEU 24 HD13 LEU 24 24.968 20.153 20.153 121 3HD1 LEU 24 HD12 LEU 24 23.466 19.578 19.578 122 1HD2 LEU 24 HD21 LEU 24 24.763 18.765 18.765 123 2HD2 LEU 24 HD23 LEU 24 25.809 17.788 17.788 124 3HD2 LEU 24 HD22 LEU 24 25.769 19.540 19.540 125 H SER 25 HN SER 25 23.461 17.747 17.747 126 HA SER 25 HA SER 25 20.889 16.977 16.977 127 1HB SER 25 HB2 SER 25 23.643 17.006 17.006 128 2HB SER 25 HB1 SER 25 22.694 18.021 18.021 129 HG SER 25 HG SER 25 22.264 16.132 16.132 130 H PHE 26 HN PHE 26 19.511 18.500 18.500 131 HA PHE 26 HA PHE 26 20.383 21.271 21.271 132 1HB PHE 26 HB2 PHE 26 18.818 22.265 22.265 133 2HB PHE 26 HB1 PHE 26 19.875 21.154 21.154 134 HD1 PHE 26 HD2 PHE 26 16.474 21.651 21.651 135 HD2 PHE 26 HD1 PHE 26 18.997 19.069 19.069 136 HE1 PHE 26 HE2 PHE 26 14.506 20.397 20.397 137 HE2 PHE 26 HE1 PHE 26 17.029 17.820 17.820 138 HZ PHE 26 HZ PHE 26 14.782 18.480 18.480 139 H LYS 27 HN LYS 27 19.300 22.012 22.012 140 HA LYS 27 HA LYS 27 16.936 20.493 20.493 141 1HB LYS 27 HB2 LYS 27 18.348 22.786 22.786 142 2HB LYS 27 HB1 LYS 27 17.268 21.596 21.596 143 1HG LYS 27 HG2 LYS 27 19.045 19.887 19.887 144 2HG LYS 27 HG1 LYS 27 20.111 21.287 21.287 145 1HD LYS 27 HD2 LYS 27 19.711 21.512 21.512 146 2HD LYS 27 HD1 LYS 27 18.405 20.327 20.327 147 1HE LYS 27 HE2 LYS 27 20.279 19.130 19.130 148 2HE LYS 27 HE1 LYS 27 20.173 18.666 18.666 149 1HZ LYS 27 HZ1 LYS 27 21.767 21.022 21.022 150 2HZ LYS 27 HZ3 LYS 27 22.404 19.531 19.531 151 3HZ LYS 27 HZ2 LYS 27 22.040 19.788 19.788 152 H LYS 28 HN LYS 28 15.098 21.850 21.850 153 HA LYS 28 HA LYS 28 13.874 23.409 23.409 154 1HB LYS 28 HB2 LYS 28 12.545 22.508 22.508 155 2HB LYS 28 HB1 LYS 28 13.467 23.413 23.413 156 1HG LYS 28 HG2 LYS 28 12.700 25.534 25.534 157 2HG LYS 28 HG1 LYS 28 11.613 24.531 24.531 158 1HD LYS 28 HD2 LYS 28 10.767 23.613 23.613 159 2HD LYS 28 HD1 LYS 28 11.579 25.004 25.004 160 1HE LYS 28 HE2 LYS 28 9.467 25.898 25.898 161 2HE LYS 28 HE1 LYS 28 10.273 26.330 26.330 162 1HZ LYS 28 HZ1 LYS 28 9.397 23.868 23.868 163 2HZ LYS 28 HZ3 LYS 28 8.167 24.406 24.406 164 3HZ LYS 28 HZ2 LYS 28 8.535 25.286 25.286 165 H GLY 29 HN GLY 29 13.738 25.654 25.654 166 1HA GLY 29 HA2 GLY 29 14.214 27.966 27.966 167 2HA GLY 29 HA1 GLY 29 15.367 27.437 27.437 168 H GLU 30 HN GLU 30 16.278 25.414 25.414 169 HA GLU 30 HA GLU 30 18.389 27.181 27.181 170 1HB GLU 30 HB2 GLU 30 18.952 24.914 24.914 171 2HB GLU 30 HB1 GLU 30 17.902 24.217 24.217 172 1HG GLU 30 HG2 GLU 30 19.976 24.118 24.118 173 2HG GLU 30 HG1 GLU 30 19.369 25.669 25.669 174 H ARG 31 HN ARG 31 18.732 27.605 27.605 175 HA ARG 31 HA ARG 31 16.354 27.056 27.056 176 1HB ARG 31 HB2 ARG 31 18.060 29.450 29.450 177 2HB ARG 31 HB1 ARG 31 17.616 29.101 29.101 178 1HG ARG 31 HG2 ARG 31 15.779 30.358 30.358 179 2HG ARG 31 HG1 ARG 31 15.210 28.749 28.749 180 1HD ARG 31 HD2 ARG 31 15.238 29.237 29.237 181 2HD ARG 31 HD1 ARG 31 16.820 30.011 30.011 182 HE ARG 31 HE ARG 31 14.284 31.381 31.381 183 1HH1 ARG 31 HH21 ARG 31 17.451 31.340 31.340 184 2HH1 ARG 31 HH22 ARG 31 17.482 33.044 33.044 185 1HH2 ARG 31 HH11 ARG 31 14.315 33.606 33.606 186 2HH2 ARG 31 HH12 ARG 31 15.711 34.326 34.326 187 H LEU 32 HN LEU 32 16.714 26.037 26.037 188 HA LEU 32 HA LEU 32 19.529 25.725 25.725 189 1HB LEU 32 HB2 LEU 32 17.537 23.460 23.460 190 2HB LEU 32 HB1 LEU 32 19.131 23.317 23.317 191 HG LEU 32 HG LEU 32 19.882 24.436 24.436 192 1HD1 LEU 32 HD13 LEU 32 17.389 24.478 24.478 193 2HD1 LEU 32 HD12 LEU 32 17.543 22.733 22.733 194 3HD1 LEU 32 HD11 LEU 32 18.523 23.826 23.826 195 1HD2 LEU 32 HD23 LEU 32 19.192 21.506 21.506 196 2HD2 LEU 32 HD22 LEU 32 20.692 22.290 22.290 197 3HD2 LEU 32 HD21 LEU 32 20.301 22.136 22.136 198 H GLN 33 HN GLN 33 19.684 25.258 25.258 199 HA GLN 33 HA GLN 33 17.408 26.354 26.354 200 1HB GLN 33 HB2 GLN 33 19.711 27.062 27.062 201 2HB GLN 33 HB1 GLN 33 20.134 25.393 25.393 202 1HG GLN 33 HG2 GLN 33 19.326 25.642 25.642 203 2HG GLN 33 HG1 GLN 33 17.749 26.093 26.093 204 1HE2 GLN 33 HE22 GLN 33 20.051 28.930 28.930 205 2HE2 GLN 33 HE21 GLN 33 20.384 27.271 27.271 206 H ILE 34 HN ILE 34 16.296 25.181 25.181 207 HA ILE 34 HA ILE 34 16.421 22.229 22.229 208 HB ILE 34 HB ILE 34 14.301 23.905 23.905 209 1HG1 ILE 34 HG12 ILE 34 14.569 24.350 24.350 210 2HG1 ILE 34 HG11 ILE 34 13.003 23.666 23.666 211 1HG2 ILE 34 HG22 ILE 34 14.558 20.988 20.988 212 2HG2 ILE 34 HG21 ILE 34 12.979 21.737 21.737 213 3HG2 ILE 34 HG23 ILE 34 14.142 21.687 21.687 214 1HD1 ILE 34 HD11 ILE 34 15.108 21.678 21.678 215 2HD1 ILE 34 HD13 ILE 34 14.602 22.665 22.665 216 3HD1 ILE 34 HD12 ILE 34 13.413 21.706 21.706 217 H VAL 35 HN VAL 35 16.641 20.850 20.850 218 HA VAL 35 HA VAL 35 17.555 22.224 22.224 219 HB VAL 35 HB VAL 35 18.512 19.592 19.592 220 1HG1 VAL 35 HG12 VAL 35 18.947 21.010 21.010 221 2HG1 VAL 35 HG11 VAL 35 20.304 20.136 20.136 222 3HG1 VAL 35 HG13 VAL 35 18.811 19.282 19.282 223 1HG2 VAL 35 HG22 VAL 35 19.204 21.976 21.976 224 2HG2 VAL 35 HG21 VAL 35 20.404 20.701 20.701 225 3HG2 VAL 35 HG23 VAL 35 20.259 21.982 21.982 226 H ASN 36 HN ASN 36 16.862 18.824 18.824 227 HA ASN 36 HA ASN 36 14.938 18.834 18.834 228 1HB ASN 36 HB2 ASN 36 16.874 17.252 17.252 229 2HB ASN 36 HB1 ASN 36 16.285 16.474 16.474 230 1HD2 ASN 36 HD21 ASN 36 15.671 16.907 16.907 231 2HD2 ASN 36 HD22 ASN 36 14.434 15.749 15.749 232 H ASN 37 HN ASN 37 12.941 19.288 19.288 233 HA ASN 37 HA ASN 37 12.177 17.844 17.844 234 1HB ASN 37 HB2 ASN 37 10.137 19.547 19.547 235 2HB ASN 37 HB1 ASN 37 11.644 20.035 20.035 236 1HD2 ASN 37 HD22 ASN 37 11.932 22.641 22.641 237 2HD2 ASN 37 HD21 ASN 37 11.938 22.173 22.173 238 H THR 38 HN THR 38 9.753 19.099 19.099 239 HA THR 38 HA THR 38 7.907 17.957 17.957 240 HB THR 38 HB THR 38 9.378 17.890 17.890 241 HG1 THR 38 HG1 THR 38 7.577 16.497 16.497 242 1HG2 THR 38 HG23 THR 38 10.670 15.511 15.511 243 2HG2 THR 38 HG22 THR 38 11.044 16.061 16.061 244 3HG2 THR 38 HG21 THR 38 11.402 17.095 17.095 245 H GLU 39 HN GLU 39 7.084 17.039 17.039 246 HA GLU 39 HA GLU 39 6.813 15.346 15.346 247 1HB GLU 39 HB2 GLU 39 6.138 13.645 13.645 248 2HB GLU 39 HB1 GLU 39 5.216 13.966 13.966 249 1HG GLU 39 HG2 GLU 39 4.612 16.169 16.169 250 2HG GLU 39 HG1 GLU 39 5.700 16.032 16.032 251 H GLY 40 HN GLY 40 6.873 12.461 12.461 252 1HA GLY 40 HA2 GLY 40 8.577 10.803 10.803 253 2HA GLY 40 HA1 GLY 40 9.809 12.026 12.026 254 H ASP 41 HN ASP 41 10.188 12.647 12.647 255 HA ASP 41 HA ASP 41 8.969 11.775 11.775 256 1HB ASP 41 HB2 ASP 41 10.267 9.548 9.548 257 2HB ASP 41 HB1 ASP 41 10.778 9.709 9.709 258 H TRP 42 HN TRP 42 12.216 11.618 11.618 259 HA TRP 42 HA TRP 42 13.199 13.231 13.231 260 1HB TRP 42 HB2 TRP 42 14.369 10.849 10.849 261 2HB TRP 42 HB1 TRP 42 15.472 12.084 12.084 262 HD1 TRP 42 HD1 TRP 42 13.026 9.375 9.375 263 HE1 TRP 42 HE1 TRP 42 13.315 9.231 9.231 264 HE3 TRP 42 HE3 TRP 42 15.967 13.302 13.302 265 HZ2 TRP 42 HZ2 TRP 42 14.716 10.701 10.701 266 HZ3 TRP 42 HZ3 TRP 42 16.799 13.970 13.970 267 HH2 TRP 42 HH2 TRP 42 16.173 12.671 12.671 268 H TRP 43 HN TRP 43 13.956 15.199 15.199 269 HA TRP 43 HA TRP 43 14.548 15.636 15.636 270 1HB TRP 43 HB2 TRP 43 14.025 17.657 17.657 271 2HB TRP 43 HB1 TRP 43 14.230 18.023 18.023 272 HD1 TRP 43 HD1 TRP 43 12.401 15.375 15.375 273 HE1 TRP 43 HE1 TRP 43 9.904 15.751 15.751 274 HE3 TRP 43 HE3 TRP 43 12.433 19.135 19.135 275 HZ2 TRP 43 HZ2 TRP 43 8.054 17.514 17.514 276 HZ3 TRP 43 HZ3 TRP 43 10.368 20.178 20.178 277 HH2 TRP 43 HH2 TRP 43 8.179 19.371 19.371 278 H LEU 44 HN LEU 44 16.341 17.368 17.368 279 HA LEU 44 HA LEU 44 18.592 16.736 16.736 280 1HB LEU 44 HB2 LEU 44 18.815 15.879 15.879 281 2HB LEU 44 HB1 LEU 44 18.796 17.555 17.555 282 HG LEU 44 HG LEU 44 20.739 17.971 17.971 283 1HD1 LEU 44 HD12 LEU 44 20.087 15.550 15.550 284 2HD1 LEU 44 HD11 LEU 44 21.370 15.074 15.074 285 3HD1 LEU 44 HD13 LEU 44 21.691 16.265 16.265 286 1HD2 LEU 44 HD21 LEU 44 20.873 17.501 17.501 287 2HD2 LEU 44 HD23 LEU 44 22.349 17.252 17.252 288 3HD2 LEU 44 HD22 LEU 44 21.368 15.869 15.869 289 H ALA 45 HN ALA 45 19.009 18.481 18.481 290 HA ALA 45 HA ALA 45 18.457 21.190 21.190 291 1HB ALA 45 HB2 ALA 45 17.458 20.438 20.438 292 2HB ALA 45 HB1 ALA 45 19.097 20.498 20.498 293 3HB ALA 45 HB3 ALA 45 18.339 21.966 21.966 294 H HIS 46 HN HIS 46 20.074 22.752 22.752 295 HA HIS 46 HA HIS 46 22.851 21.757 21.757 296 1HB HIS 46 HB2 HIS 46 22.864 22.270 22.270 297 2HB HIS 46 HB1 HIS 46 21.585 23.469 23.469 298 HD1 HIS 46 HD1 HIS 46 25.244 23.158 23.158 299 HD2 HIS 46 HD2 HIS 46 22.430 26.092 26.092 300 HE1 HIS 46 HE1 HIS 46 26.491 25.257 25.257 301 H SER 47 HN SER 47 24.038 22.816 22.816 302 HA SER 47 HA SER 47 22.825 24.817 24.817 303 1HB SER 47 HB2 SER 47 25.540 23.579 23.579 304 2HB SER 47 HB1 SER 47 25.381 25.069 25.069 305 HG SER 47 HG SER 47 24.830 22.651 22.651 306 H LEU 48 HN LEU 48 23.582 27.053 27.053 307 HA LEU 48 HA LEU 48 24.460 28.213 28.213 308 1HB LEU 48 HB2 LEU 48 23.050 29.552 29.552 309 2HB LEU 48 HB1 LEU 48 23.422 30.298 30.298 310 HG LEU 48 HG LEU 48 21.700 27.823 27.823 311 1HD1 LEU 48 HD13 LEU 48 21.051 30.756 30.756 312 2HD1 LEU 48 HD12 LEU 48 19.916 29.606 29.606 313 3HD1 LEU 48 HD11 LEU 48 20.355 29.478 29.478 314 1HD2 LEU 48 HD23 LEU 48 22.514 29.593 29.593 315 2HD2 LEU 48 HD22 LEU 48 22.554 27.833 27.833 316 3HD2 LEU 48 HD21 LEU 48 21.012 28.672 28.672 317 H THR 49 HN THR 49 25.582 27.504 27.504 318 HA THR 49 HA THR 49 27.340 29.838 29.838 319 HB THR 49 HB THR 49 28.073 27.500 27.500 320 HG1 THR 49 HG1 THR 49 26.105 27.449 27.449 321 1HG2 THR 49 HG22 THR 49 28.263 30.183 30.183 322 2HG2 THR 49 HG21 THR 49 26.797 29.903 29.903 323 3HG2 THR 49 HG23 THR 49 28.298 29.090 29.090 324 H THR 50 HN THR 50 28.270 26.397 26.397 325 HA THR 50 HA THR 50 30.740 27.087 27.087 326 HB THR 50 HB THR 50 30.090 24.269 24.269 327 HG1 THR 50 HG1 THR 50 30.780 26.271 26.271 328 1HG2 THR 50 HG23 THR 50 32.492 26.090 26.090 329 2HG2 THR 50 HG22 THR 50 32.515 24.543 24.543 330 3HG2 THR 50 HG21 THR 50 32.251 24.592 24.592 331 H GLY 51 HN GLY 51 27.916 24.943 24.943 332 1HA GLY 51 HA2 GLY 51 26.918 24.846 24.846 333 2HA GLY 51 HA1 GLY 51 28.565 24.838 24.838 334 H GLN 52 HN GLN 52 27.167 22.993 22.993 335 HA GLN 52 HA GLN 52 28.221 20.521 20.521 336 1HB GLN 52 HB2 GLN 52 27.272 21.153 21.153 337 2HB GLN 52 HB1 GLN 52 27.677 19.520 19.520 338 1HG GLN 52 HG2 GLN 52 29.944 20.043 20.043 339 2HG GLN 52 HG1 GLN 52 29.626 21.774 21.774 340 1HE2 GLN 52 HE22 GLN 52 30.480 22.143 22.143 341 2HE2 GLN 52 HE21 GLN 52 30.675 22.680 22.680 342 H THR 53 HN THR 53 26.839 19.072 19.072 343 HA THR 53 HA THR 53 23.976 19.666 19.666 344 HB THR 53 HB THR 53 25.818 18.259 18.259 345 HG1 THR 53 HG1 THR 53 23.024 18.593 18.593 346 1HG2 THR 53 HG22 THR 53 23.538 16.560 16.560 347 2HG2 THR 53 HG21 THR 53 24.288 16.282 16.282 348 3HG2 THR 53 HG23 THR 53 25.247 16.138 16.138 349 H GLY 54 HN GLY 54 22.337 18.125 18.125 350 1HA GLY 54 HA2 GLY 54 23.030 15.791 15.791 351 2HA GLY 54 HA1 GLY 54 22.657 17.155 17.155 352 H TYR 55 HN TYR 55 21.304 14.560 14.560 353 HA TYR 55 HA TYR 55 18.807 15.531 15.531 354 1HB TYR 55 HB2 TYR 55 19.328 12.871 12.871 355 2HB TYR 55 HB1 TYR 55 18.031 13.248 13.248 356 HD1 TYR 55 HD2 TYR 55 18.564 13.708 13.708 357 HD2 TYR 55 HD1 TYR 55 21.565 12.423 12.423 358 HE1 TYR 55 HE2 TYR 55 20.024 13.127 13.127 359 HE2 TYR 55 HE1 TYR 55 23.026 11.844 11.844 360 HH TYR 55 HH TYR 55 22.373 11.178 11.178 361 H ILE 56 HN ILE 56 17.303 16.622 16.622 362 HA ILE 56 HA ILE 56 17.201 16.171 16.171 363 HB ILE 56 HB ILE 56 15.917 18.294 18.294 364 1HG1 ILE 56 HG12 ILE 56 16.577 18.745 18.745 365 2HG1 ILE 56 HG11 ILE 56 15.141 17.801 17.801 366 1HG2 ILE 56 HG22 ILE 56 18.662 17.989 17.989 367 2HG2 ILE 56 HG21 ILE 56 17.947 19.560 19.560 368 3HG2 ILE 56 HG23 ILE 56 18.053 19.006 19.006 369 1HD1 ILE 56 HD12 ILE 56 15.230 20.109 20.109 370 2HD1 ILE 56 HD11 ILE 56 15.434 20.634 20.634 371 3HD1 ILE 56 HD13 ILE 56 14.018 19.688 19.688 372 HA PRO 57 HA PRO 57 13.464 13.900 13.900 373 1HB PRO 57 HB2 PRO 57 12.394 14.987 14.987 374 2HB PRO 57 HB1 PRO 57 13.179 13.421 13.421 375 1HG PRO 57 HG2 PRO 57 14.237 15.741 15.741 376 2HG PRO 57 HG1 PRO 57 15.019 14.174 14.174 377 1HD PRO 57 HD1 PRO 57 15.629 16.674 16.674 378 2HD PRO 57 HD2 PRO 57 16.425 15.104 15.104 379 H SER 58 HN SER 58 11.351 14.286 14.286 380 HA SER 58 HA SER 58 10.698 17.082 17.082 381 1HB SER 58 HB2 SER 58 9.536 16.186 16.186 382 2HB SER 58 HB1 SER 58 10.232 14.636 14.636 383 HG SER 58 HG SER 58 7.724 15.731 15.731 384 H ASN 59 HN ASN 59 10.462 15.589 15.589 385 HA ASN 59 HA ASN 59 7.698 16.588 16.588 386 1HB ASN 59 HB2 ASN 59 8.238 14.046 14.046 387 2HB ASN 59 HB1 ASN 59 9.098 14.533 14.533 388 1HD2 ASN 59 HD22 ASN 59 6.142 15.124 15.124 389 2HD2 ASN 59 HD21 ASN 59 7.839 15.176 15.176 390 H TYR 60 HN TYR 60 11.055 16.809 16.809 391 HA TYR 60 HA TYR 60 10.503 18.270 18.270 392 1HB TYR 60 HB2 TYR 60 13.117 17.384 17.384 393 2HB TYR 60 HB1 TYR 60 12.976 18.222 18.222 394 HD1 TYR 60 HD1 TYR 60 10.111 16.332 16.332 395 HD2 TYR 60 HD2 TYR 60 14.314 15.786 15.786 396 HE1 TYR 60 HE1 TYR 60 9.736 14.191 14.191 397 HE2 TYR 60 HE2 TYR 60 13.937 13.647 13.647 398 HH TYR 60 HH TYR 60 11.092 12.008 12.008 399 H VAL 61 HN VAL 61 10.090 19.210 19.210 400 HA VAL 61 HA VAL 61 11.217 21.894 21.894 401 HB VAL 61 HB VAL 61 13.044 21.063 21.063 402 1HG1 VAL 61 HG11 VAL 61 11.148 19.164 19.164 403 2HG1 VAL 61 HG13 VAL 61 11.815 19.945 19.945 404 3HG1 VAL 61 HG12 VAL 61 12.890 19.160 19.160 405 1HG2 VAL 61 HG21 VAL 61 12.138 23.149 23.149 406 2HG2 VAL 61 HG23 VAL 61 12.901 22.142 22.142 407 3HG2 VAL 61 HG22 VAL 61 11.144 22.194 22.194 408 H ALA 62 HN ALA 62 10.376 23.439 23.439 409 HA ALA 62 HA ALA 62 8.010 22.566 22.566 410 1HB ALA 62 HB3 ALA 62 7.832 24.182 24.182 411 2HB ALA 62 HB2 ALA 62 6.676 24.470 24.470 412 3HB ALA 62 HB1 ALA 62 6.789 22.874 22.874 413 HA PRO 63 HA PRO 63 9.339 25.802 25.802 414 1HB PRO 63 HB2 PRO 63 6.666 26.487 26.487 415 2HB PRO 63 HB1 PRO 63 7.854 25.512 25.512 416 1HG PRO 63 HG2 PRO 63 5.462 24.604 24.604 417 2HG PRO 63 HG1 PRO 63 6.651 23.628 23.628 418 1HD PRO 63 HD1 PRO 63 6.229 23.781 23.781 419 2HD PRO 63 HD2 PRO 63 7.418 22.797 22.797 420 H SER 64 HN SER 64 9.593 28.049 28.049 421 HA SER 64 HA SER 64 8.256 29.348 29.348 422 1HB SER 64 HB2 SER 64 9.963 30.964 30.964 423 2HB SER 64 HB1 SER 64 10.788 29.490 29.490 424 HG SER 64 HG SER 64 10.958 30.240 30.240 425 1H ALA 71 HT1 ALA 71 6.228 16.274 16.274 426 2H ALA 71 HT3 ALA 71 5.703 17.821 17.821 427 3H ALA 71 HT2 ALA 71 6.282 17.557 17.557 428 HA ALA 71 HA ALA 71 7.981 18.666 18.666 429 1HB ALA 71 HB3 ALA 71 7.514 16.398 16.398 430 2HB ALA 71 HB2 ALA 71 8.925 17.456 17.456 431 3HB ALA 71 HB1 ALA 71 7.309 18.124 18.124 432 H PHE 72 HN PHE 72 8.708 15.349 15.349 433 HA PHE 72 HA PHE 72 11.063 15.153 15.153 434 1HB PHE 72 HB2 PHE 72 9.173 13.198 13.198 435 2HB PHE 72 HB1 PHE 72 10.276 12.567 12.567 436 HD1 PHE 72 HD2 PHE 72 10.391 14.906 14.906 437 HD2 PHE 72 HD1 PHE 72 12.355 11.815 11.815 438 HE1 PHE 72 HE2 PHE 72 12.218 14.910 14.910 439 HE2 PHE 72 HE1 PHE 72 14.180 11.823 11.823 440 HZ PHE 72 HZ PHE 72 14.115 13.370 13.370 441 H ALA 73 HN ALA 73 11.537 14.297 14.297 442 HA ALA 73 HA ALA 73 9.376 14.686 14.686 443 1HB ALA 73 HB1 ALA 73 12.289 13.929 13.929 444 2HB ALA 73 HB3 ALA 73 11.166 14.340 14.340 445 3HB ALA 73 HB2 ALA 73 11.624 15.559 15.559 446 HA PRO 74 HA PRO 74 8.214 10.440 10.440 447 1HB PRO 74 HB2 PRO 74 7.453 10.666 10.666 448 2HB PRO 74 HB1 PRO 74 6.402 10.648 10.648 449 1HG PRO 74 HG2 PRO 74 7.048 12.899 12.899 450 2HG PRO 74 HG1 PRO 74 6.014 12.885 12.885 451 1HD PRO 74 HD1 PRO 74 8.665 14.004 14.004 452 2HD PRO 74 HD2 PRO 74 7.617 14.012 14.012 453 HA PRO 75 HA PRO 75 11.450 8.168 8.168 454 1HB PRO 75 HB2 PRO 75 9.793 6.191 6.191 455 2HB PRO 75 HB1 PRO 75 10.677 6.050 6.050 456 1HG PRO 75 HG2 PRO 75 7.823 6.318 6.318 457 2HG PRO 75 HG1 PRO 75 8.705 6.158 6.158 458 1HD PRO 75 HD1 PRO 75 7.425 8.515 8.515 459 2HD PRO 75 HD2 PRO 75 8.324 8.358 8.358 460 H LEU 76 HN LEU 76 12.550 8.674 8.674 461 HA LEU 76 HA LEU 76 11.406 9.995 9.995 462 1HB LEU 76 HB2 LEU 76 13.914 8.289 8.289 463 2HB LEU 76 HB1 LEU 76 13.519 9.545 9.545 464 HG LEU 76 HG LEU 76 13.543 10.236 10.236 465 1HD1 LEU 76 HD12 LEU 76 15.668 9.029 9.029 466 2HD1 LEU 76 HD11 LEU 76 15.998 10.093 10.093 467 3HD1 LEU 76 HD13 LEU 76 15.945 10.749 10.749 468 1HD2 LEU 76 HD22 LEU 76 14.096 11.665 11.665 469 2HD2 LEU 76 HD21 LEU 76 12.766 11.950 11.950 470 3HD2 LEU 76 HD23 LEU 76 14.412 12.396 12.396 471 HA PRO 77 HA PRO 77 9.432 6.947 6.947 472 1HB PRO 77 HB2 PRO 77 10.553 7.847 7.847 473 2HB PRO 77 HB1 PRO 77 8.944 8.180 8.180 474 1HG PRO 77 HG2 PRO 77 11.169 10.004 10.004 475 2HG PRO 77 HG1 PRO 77 9.567 10.331 10.331 476 1HD PRO 77 HD1 PRO 77 12.061 10.028 10.028 477 2HD PRO 77 HD2 PRO 77 10.456 10.378 10.378 478 H ARG 78 HN ARG 78 10.025 5.309 5.309 479 HA ARG 78 HA ARG 78 12.490 3.960 3.960 480 1HB ARG 78 HB2 ARG 78 10.167 3.313 3.313 481 2HB ARG 78 HB1 ARG 78 11.669 2.419 2.419 482 1HG ARG 78 HG2 ARG 78 10.984 2.672 2.672 483 2HG ARG 78 HG1 ARG 78 9.700 1.878 1.878 484 1HD ARG 78 HD2 ARG 78 11.062 0.101 0.101 485 2HD ARG 78 HD1 ARG 78 12.541 1.050 1.050 486 HE ARG 78 HE ARG 78 11.616 0.909 0.909 487 1HH1 ARG 78 HH21 ARG 78 12.244 -1.356 -1.356 488 2HH1 ARG 78 HH22 ARG 78 12.667 -2.640 -2.640 489 1HH2 ARG 78 HH11 ARG 78 12.167 -0.759 -0.759 490 2HH2 ARG 78 HH12 ARG 78 12.623 -2.304 -2.304 491 H ARG 79 HN ARG 79 13.924 5.748 5.748 492 HA ARG 79 HA ARG 79 14.118 6.514 6.514 493 1HB ARG 79 HB2 ARG 79 15.272 7.763 7.763 494 2HB ARG 79 HB1 ARG 79 16.270 6.360 6.360 495 1HG ARG 79 HG2 ARG 79 16.277 7.230 7.230 496 2HG ARG 79 HG1 ARG 79 17.060 8.322 8.322 497 1HD ARG 79 HD2 ARG 79 17.641 5.350 5.350 498 2HD ARG 79 HD1 ARG 79 18.610 6.591 6.591 499 HE ARG 79 HE ARG 79 18.641 5.964 5.964 500 1HH1 ARG 79 HH21 ARG 79 19.072 8.383 8.383 501 2HH1 ARG 79 HH22 ARG 79 20.150 9.338 9.338 502 1HH2 ARG 79 HH11 ARG 79 20.046 7.203 7.203 503 2HH2 ARG 79 HH12 ARG 79 20.701 8.671 8.671 Start of MODEL 13 1 1H THR 9 HT1 THR 9 13.957 27.710 27.710 2 2H THR 9 HT3 THR 9 15.376 28.641 28.641 3 3H THR 9 HT2 THR 9 15.296 27.285 27.285 4 HA THR 9 HA THR 9 15.074 29.294 29.294 5 HB THR 9 HB THR 9 12.431 29.940 29.940 6 HG1 THR 9 HG1 THR 9 14.856 30.460 30.460 7 1HG2 THR 9 HG21 THR 9 14.451 31.133 31.133 8 2HG2 THR 9 HG23 THR 9 14.280 32.120 32.120 9 3HG2 THR 9 HG22 THR 9 12.876 31.798 31.798 10 H PHE 10 HN PHE 10 14.686 26.752 26.752 11 HA PHE 10 HA PHE 10 11.867 26.531 26.531 12 1HB PHE 10 HB2 PHE 10 13.932 24.550 24.550 13 2HB PHE 10 HB1 PHE 10 12.863 24.083 24.083 14 HD1 PHE 10 HD2 PHE 10 11.777 26.437 26.437 15 HD2 PHE 10 HD1 PHE 10 11.699 22.371 22.371 16 HE1 PHE 10 HE2 PHE 10 9.984 25.967 25.967 17 HE2 PHE 10 HE1 PHE 10 9.905 21.906 21.906 18 HZ PHE 10 HZ PHE 10 9.047 23.702 23.702 19 H VAL 11 HN VAL 11 11.706 25.422 25.422 20 HA VAL 11 HA VAL 11 13.982 26.250 26.250 21 HB VAL 11 HB VAL 11 11.111 26.417 26.417 22 1HG1 VAL 11 HG12 VAL 11 13.794 27.399 27.399 23 2HG1 VAL 11 HG11 VAL 11 12.372 28.364 28.364 24 3HG1 VAL 11 HG13 VAL 11 12.487 26.694 26.694 25 1HG2 VAL 11 HG23 VAL 11 12.692 28.410 28.410 26 2HG2 VAL 11 HG22 VAL 11 11.048 27.835 27.835 27 3HG2 VAL 11 HG21 VAL 11 11.389 28.923 28.923 28 H ALA 12 HN ALA 12 14.522 24.762 24.762 29 HA ALA 12 HA ALA 12 13.441 22.076 22.076 30 1HB ALA 12 HB2 ALA 12 15.440 23.333 23.333 31 2HB ALA 12 HB1 ALA 12 14.970 21.636 21.636 32 3HB ALA 12 HB3 ALA 12 15.763 22.242 22.242 33 H LEU 13 HN LEU 13 11.313 21.936 21.936 34 HA LEU 13 HA LEU 13 10.230 23.311 23.311 35 1HB LEU 13 HB2 LEU 13 9.373 20.898 20.898 36 2HB LEU 13 HB1 LEU 13 8.479 21.400 21.400 37 HG LEU 13 HG LEU 13 9.131 23.289 23.289 38 1HD1 LEU 13 HD13 LEU 13 6.640 21.627 21.627 39 2HD1 LEU 13 HD12 LEU 13 6.746 22.948 22.948 40 3HD1 LEU 13 HD11 LEU 13 7.732 21.501 21.501 41 1HD2 LEU 13 HD23 LEU 13 8.514 24.051 24.051 42 2HD2 LEU 13 HD22 LEU 13 7.643 24.774 24.774 43 3HD2 LEU 13 HD21 LEU 13 6.891 23.491 23.491 44 H TYR 14 HN TYR 14 12.266 20.544 20.544 45 HA TYR 14 HA TYR 14 12.037 20.181 20.181 46 1HB TYR 14 HB2 TYR 14 11.869 17.918 17.918 47 2HB TYR 14 HB1 TYR 14 11.937 17.734 17.734 48 HD1 TYR 14 HD2 TYR 14 9.929 19.225 19.225 49 HD2 TYR 14 HD1 TYR 14 9.976 18.019 18.019 50 HE1 TYR 14 HE2 TYR 14 7.517 19.634 19.634 51 HE2 TYR 14 HE1 TYR 14 7.555 18.396 18.396 52 HH TYR 14 HH TYR 14 5.818 19.608 19.608 53 H ASP 15 HN ASP 15 13.919 19.016 19.016 54 HA ASP 15 HA ASP 15 16.377 19.762 19.762 55 1HB ASP 15 HB2 ASP 15 16.422 18.040 18.040 56 2HB ASP 15 HB1 ASP 15 17.455 19.404 19.404 57 H TYR 16 HN TYR 16 16.570 18.411 18.411 58 HA TYR 16 HA TYR 16 16.206 15.525 15.525 59 1HB TYR 16 HB2 TYR 16 15.735 16.576 16.576 60 2HB TYR 16 HB1 TYR 16 17.358 17.266 17.266 61 HD1 TYR 16 HD1 TYR 16 16.170 13.838 13.838 62 HD2 TYR 16 HD2 TYR 16 18.514 16.181 16.181 63 HE1 TYR 16 HE1 TYR 16 16.998 11.793 11.793 64 HE2 TYR 16 HE2 TYR 16 19.344 14.136 14.136 65 HH TYR 16 HH TYR 16 19.016 11.907 11.907 66 H GLU 17 HN GLU 17 17.706 14.239 14.239 67 HA GLU 17 HA GLU 17 20.540 15.163 15.163 68 1HB GLU 17 HB2 GLU 17 18.840 13.521 13.521 69 2HB GLU 17 HB1 GLU 17 20.516 12.998 12.998 70 1HG GLU 17 HG2 GLU 17 21.286 14.763 14.763 71 2HG GLU 17 HG1 GLU 17 20.269 15.899 15.899 72 H SER 18 HN SER 18 20.335 14.403 14.403 73 HA SER 18 HA SER 18 20.081 11.789 11.789 74 1HB SER 18 HB2 SER 18 22.363 12.607 12.607 75 2HB SER 18 HB1 SER 18 20.706 12.956 12.956 76 HG SER 18 HG SER 18 20.983 14.954 14.954 77 H ARG 19 HN ARG 19 21.689 10.066 10.066 78 HA ARG 19 HA ARG 19 23.867 10.104 10.104 79 1HB ARG 19 HB2 ARG 19 21.652 8.225 8.225 80 2HB ARG 19 HB1 ARG 19 23.225 7.428 7.428 81 1HG ARG 19 HG2 ARG 19 23.719 8.181 8.181 82 2HG ARG 19 HG1 ARG 19 22.555 9.504 9.504 83 1HD ARG 19 HD2 ARG 19 20.729 8.096 8.096 84 2HD ARG 19 HD1 ARG 19 21.589 6.662 6.662 85 HE ARG 19 HE ARG 19 22.980 7.485 7.485 86 1HH1 ARG 19 HH21 ARG 19 19.738 6.640 6.640 87 2HH1 ARG 19 HH22 ARG 19 19.358 6.014 6.014 88 1HH2 ARG 19 HH11 ARG 19 22.494 6.669 6.669 89 2HH2 ARG 19 HH12 ARG 19 20.915 6.030 6.030 90 H THR 20 HN THR 20 23.104 9.874 9.874 91 HA THR 20 HA THR 20 25.292 8.028 8.028 92 HB THR 20 HB THR 20 24.064 9.679 9.679 93 HG1 THR 20 HG1 THR 20 22.589 7.956 7.956 94 1HG2 THR 20 HG23 THR 20 25.271 7.096 7.096 95 2HG2 THR 20 HG22 THR 20 23.674 6.893 6.893 96 3HG2 THR 20 HG21 THR 20 24.873 7.914 7.914 97 H GLU 21 HN GLU 21 26.932 8.835 8.835 98 HA GLU 21 HA GLU 21 28.079 11.359 11.359 99 1HB GLU 21 HB2 GLU 21 29.961 10.651 10.651 100 2HB GLU 21 HB1 GLU 21 29.688 9.630 9.630 101 1HG GLU 21 HG2 GLU 21 29.037 7.874 7.874 102 2HG GLU 21 HG1 GLU 21 28.030 8.893 8.893 103 H THR 22 HN THR 22 25.638 11.329 11.329 104 HA THR 22 HA THR 22 26.744 13.087 13.087 105 HB THR 22 HB THR 22 25.536 12.060 12.060 106 HG1 THR 22 HG1 THR 22 23.504 11.705 11.705 107 1HG2 THR 22 HG22 THR 22 25.842 9.859 9.859 108 2HG2 THR 22 HG21 THR 22 25.498 9.586 9.586 109 3HG2 THR 22 HG23 THR 22 27.025 10.328 10.328 110 H ASP 23 HN ASP 23 23.621 12.095 12.095 111 HA ASP 23 HA ASP 23 22.244 14.511 14.511 112 1HB ASP 23 HB2 ASP 23 21.794 12.936 12.936 113 2HB ASP 23 HB1 ASP 23 20.607 13.751 13.751 114 H LEU 24 HN LEU 24 22.234 16.499 16.499 115 HA LEU 24 HA LEU 24 24.327 16.972 16.972 116 1HB LEU 24 HB2 LEU 24 22.571 18.783 18.783 117 2HB LEU 24 HB1 LEU 24 23.568 19.403 19.403 118 HG LEU 24 HG LEU 24 24.810 17.615 17.615 119 1HD1 LEU 24 HD11 LEU 24 23.589 19.354 19.354 120 2HD1 LEU 24 HD13 LEU 24 24.366 20.602 20.602 121 3HD1 LEU 24 HD12 LEU 24 25.333 19.593 19.593 122 1HD2 LEU 24 HD23 LEU 24 25.795 19.957 19.957 123 2HD2 LEU 24 HD22 LEU 24 26.087 18.253 18.253 124 3HD2 LEU 24 HD21 LEU 24 26.789 18.993 18.993 125 H SER 25 HN SER 25 23.730 16.674 16.674 126 HA SER 25 HA SER 25 20.992 16.631 16.631 127 1HB SER 25 HB2 SER 25 22.962 17.251 17.251 128 2HB SER 25 HB1 SER 25 21.884 15.862 15.862 129 HG SER 25 HG SER 25 23.383 14.776 14.776 130 H PHE 26 HN PHE 26 19.690 18.347 18.347 131 HA PHE 26 HA PHE 26 21.010 20.962 20.962 132 1HB PHE 26 HB2 PHE 26 18.996 22.009 22.009 133 2HB PHE 26 HB1 PHE 26 20.097 21.153 21.153 134 HD1 PHE 26 HD2 PHE 26 16.817 21.026 21.026 135 HD2 PHE 26 HD1 PHE 26 19.426 19.049 19.049 136 HE1 PHE 26 HE2 PHE 26 14.968 19.578 19.578 137 HE2 PHE 26 HE1 PHE 26 17.577 17.604 17.604 138 HZ PHE 26 HZ PHE 26 15.347 17.865 17.865 139 H LYS 27 HN LYS 27 19.824 22.336 22.336 140 HA LYS 27 HA LYS 27 18.130 20.782 20.782 141 1HB LYS 27 HB2 LYS 27 19.231 23.594 23.594 142 2HB LYS 27 HB1 LYS 27 18.501 22.618 22.618 143 1HG LYS 27 HG2 LYS 27 20.880 21.585 21.585 144 2HG LYS 27 HG1 LYS 27 21.105 22.697 22.697 145 1HD LYS 27 HD2 LYS 27 19.475 21.030 21.030 146 2HD LYS 27 HD1 LYS 27 20.026 19.897 19.897 147 1HE LYS 27 HE2 LYS 27 22.089 21.527 21.527 148 2HE LYS 27 HE1 LYS 27 21.348 20.185 20.185 149 1HZ LYS 27 HZ1 LYS 27 22.160 19.603 19.603 150 2HZ LYS 27 HZ3 LYS 27 23.434 19.925 19.925 151 3HZ LYS 27 HZ2 LYS 27 22.335 18.675 18.675 152 H LYS 28 HN LYS 28 16.511 22.668 22.668 153 HA LYS 28 HA LYS 28 14.596 23.160 23.160 154 1HB LYS 28 HB2 LYS 28 13.959 22.190 22.190 155 2HB LYS 28 HB1 LYS 28 14.231 23.802 23.802 156 1HG LYS 28 HG2 LYS 28 12.654 24.525 24.525 157 2HG LYS 28 HG1 LYS 28 12.101 22.855 22.855 158 1HD LYS 28 HD2 LYS 28 12.360 24.287 24.287 159 2HD LYS 28 HD1 LYS 28 11.103 24.902 24.902 160 1HE LYS 28 HE2 LYS 28 9.811 23.220 23.220 161 2HE LYS 28 HE1 LYS 28 10.816 22.145 22.145 162 1HZ LYS 28 HZ3 LYS 28 12.316 21.917 21.917 163 2HZ LYS 28 HZ2 LYS 28 11.301 22.909 22.909 164 3HZ LYS 28 HZ1 LYS 28 10.744 21.400 21.400 165 H GLY 29 HN GLY 29 14.879 25.036 25.036 166 1HA GLY 29 HA2 GLY 29 14.416 27.522 27.522 167 2HA GLY 29 HA1 GLY 29 15.655 27.469 27.469 168 H GLU 30 HN GLU 30 16.894 25.359 25.359 169 HA GLU 30 HA GLU 30 18.712 27.320 27.320 170 1HB GLU 30 HB2 GLU 30 19.357 24.995 24.995 171 2HB GLU 30 HB1 GLU 30 18.607 24.358 24.358 172 1HG GLU 30 HG2 GLU 30 20.534 24.769 24.769 173 2HG GLU 30 HG1 GLU 30 20.252 26.491 26.491 174 H ARG 31 HN ARG 31 18.861 27.843 27.843 175 HA ARG 31 HA ARG 31 16.426 27.285 27.285 176 1HB ARG 31 HB2 ARG 31 18.775 28.985 28.985 177 2HB ARG 31 HB1 ARG 31 17.103 29.082 29.082 178 1HG ARG 31 HG2 ARG 31 16.637 30.553 30.553 179 2HG ARG 31 HG1 ARG 31 17.129 29.372 29.372 180 1HD ARG 31 HD2 ARG 31 19.557 30.090 30.090 181 2HD ARG 31 HD1 ARG 31 18.777 31.516 31.516 182 HE ARG 31 HE ARG 31 17.718 31.302 31.302 183 1HH1 ARG 31 HH21 ARG 31 20.849 31.490 31.490 184 2HH1 ARG 31 HH22 ARG 31 21.566 32.300 32.300 185 1HH2 ARG 31 HH11 ARG 31 18.644 32.359 32.359 186 2HH2 ARG 31 HH12 ARG 31 20.320 32.793 32.793 187 H LEU 32 HN LEU 32 16.425 26.033 26.033 188 HA LEU 32 HA LEU 32 19.048 24.958 24.958 189 1HB LEU 32 HB2 LEU 32 16.541 23.308 23.308 190 2HB LEU 32 HB1 LEU 32 18.081 22.713 22.713 191 HG LEU 32 HG LEU 32 18.292 24.183 24.183 192 1HD1 LEU 32 HD13 LEU 32 16.080 22.915 22.915 193 2HD1 LEU 32 HD12 LEU 32 17.026 21.434 21.434 194 3HD1 LEU 32 HD11 LEU 32 17.288 22.515 22.515 195 1HD2 LEU 32 HD21 LEU 32 19.259 21.515 21.515 196 2HD2 LEU 32 HD23 LEU 32 20.192 23.004 23.004 197 3HD2 LEU 32 HD22 LEU 32 19.683 22.146 22.146 198 H GLN 33 HN GLN 33 19.225 24.979 24.979 199 HA GLN 33 HA GLN 33 16.982 26.054 26.054 200 1HB GLN 33 HB2 GLN 33 19.449 26.654 26.654 201 2HB GLN 33 HB1 GLN 33 19.631 25.065 25.065 202 1HG GLN 33 HG2 GLN 33 17.346 26.136 26.136 203 2HG GLN 33 HG1 GLN 33 18.465 27.495 27.495 204 1HE2 GLN 33 HE22 GLN 33 19.917 26.232 26.232 205 2HE2 GLN 33 HE21 GLN 33 19.059 27.506 27.506 206 H ILE 34 HN ILE 34 15.571 24.835 24.835 207 HA ILE 34 HA ILE 34 15.855 21.914 21.914 208 HB ILE 34 HB ILE 34 13.729 23.663 23.663 209 1HG1 ILE 34 HG12 ILE 34 13.718 24.048 24.048 210 2HG1 ILE 34 HG11 ILE 34 12.418 22.903 22.903 211 1HG2 ILE 34 HG23 ILE 34 14.205 21.069 21.069 212 2HG2 ILE 34 HG22 ILE 34 13.224 20.859 20.859 213 3HG2 ILE 34 HG21 ILE 34 12.575 21.741 21.741 214 1HD1 ILE 34 HD11 ILE 34 13.951 21.034 21.034 215 2HD1 ILE 34 HD13 ILE 34 15.202 22.212 22.212 216 3HD1 ILE 34 HD12 ILE 34 13.717 22.150 22.150 217 H VAL 35 HN VAL 35 16.706 20.730 20.730 218 HA VAL 35 HA VAL 35 17.525 22.146 22.146 219 HB VAL 35 HB VAL 35 18.107 19.369 19.369 220 1HG1 VAL 35 HG12 VAL 35 18.181 20.330 20.330 221 2HG1 VAL 35 HG11 VAL 35 19.841 20.121 20.121 222 3HG1 VAL 35 HG13 VAL 35 18.714 18.765 18.765 223 1HG2 VAL 35 HG22 VAL 35 19.198 21.470 21.470 224 2HG2 VAL 35 HG21 VAL 35 20.289 20.205 20.205 225 3HG2 VAL 35 HG23 VAL 35 20.021 21.644 21.644 226 H ASN 36 HN ASN 36 15.467 19.443 19.443 227 HA ASN 36 HA ASN 36 13.770 19.824 19.824 228 1HB ASN 36 HB2 ASN 36 15.933 18.167 18.167 229 2HB ASN 36 HB1 ASN 36 14.682 17.025 17.025 230 1HD2 ASN 36 HD22 ASN 36 14.586 18.061 18.061 231 2HD2 ASN 36 HD21 ASN 36 15.949 17.855 17.855 232 H ASN 37 HN ASN 37 12.235 17.633 17.633 233 HA ASN 37 HA ASN 37 11.719 16.692 16.692 234 1HB ASN 37 HB2 ASN 37 9.320 17.543 17.543 235 2HB ASN 37 HB1 ASN 37 10.548 18.778 18.778 236 1HD2 ASN 37 HD22 ASN 37 9.201 20.564 20.564 237 2HD2 ASN 37 HD21 ASN 37 9.623 20.571 20.571 238 H THR 38 HN THR 38 12.417 15.179 15.179 239 HA THR 38 HA THR 38 9.843 13.800 13.800 240 HB THR 38 HB THR 38 10.554 14.922 14.922 241 HG1 THR 38 HG1 THR 38 11.245 12.916 12.916 242 1HG2 THR 38 HG23 THR 38 13.230 13.603 13.603 243 2HG2 THR 38 HG22 THR 38 12.813 14.464 14.464 244 3HG2 THR 38 HG21 THR 38 12.885 15.331 15.331 245 H GLU 39 HN GLU 39 11.538 13.153 13.153 246 HA GLU 39 HA GLU 39 12.793 10.611 10.611 247 1HB GLU 39 HB2 GLU 39 13.830 12.701 12.701 248 2HB GLU 39 HB1 GLU 39 13.645 11.258 11.258 249 1HG GLU 39 HG2 GLU 39 14.684 10.367 10.367 250 2HG GLU 39 HG1 GLU 39 15.612 11.804 11.804 251 H GLY 40 HN GLY 40 10.412 12.053 12.053 252 1HA GLY 40 HA2 GLY 40 8.580 10.409 10.409 253 2HA GLY 40 HA1 GLY 40 9.877 9.374 9.374 254 H ASP 41 HN ASP 41 10.920 9.943 9.943 255 HA ASP 41 HA ASP 41 9.624 12.182 12.182 256 1HB ASP 41 HB2 ASP 41 10.633 9.691 9.691 257 2HB ASP 41 HB1 ASP 41 9.436 10.857 10.857 258 H TRP 42 HN TRP 42 12.172 12.076 12.076 259 HA TRP 42 HA TRP 42 13.886 13.181 13.181 260 1HB TRP 42 HB2 TRP 42 14.584 10.657 10.657 261 2HB TRP 42 HB1 TRP 42 15.828 11.696 11.696 262 HD1 TRP 42 HD1 TRP 42 13.180 9.126 9.126 263 HE1 TRP 42 HE1 TRP 42 13.374 8.807 8.807 264 HE3 TRP 42 HE3 TRP 42 16.303 12.833 12.833 265 HZ2 TRP 42 HZ2 TRP 42 14.772 10.061 10.061 266 HZ3 TRP 42 HZ3 TRP 42 17.093 13.311 13.311 267 HH2 TRP 42 HH2 TRP 42 16.328 11.925 11.925 268 H TRP 43 HN TRP 43 14.200 15.124 15.124 269 HA TRP 43 HA TRP 43 14.881 15.107 15.107 270 1HB TRP 43 HB2 TRP 43 14.223 17.497 17.497 271 2HB TRP 43 HB1 TRP 43 14.275 17.441 17.441 272 HD1 TRP 43 HD1 TRP 43 12.617 14.718 14.718 273 HE1 TRP 43 HE1 TRP 43 10.144 14.796 14.796 274 HE3 TRP 43 HE3 TRP 43 12.578 18.680 18.680 275 HZ2 TRP 43 HZ2 TRP 43 8.282 16.441 16.441 276 HZ3 TRP 43 HZ3 TRP 43 10.515 19.538 19.538 277 HH2 TRP 43 HH2 TRP 43 8.367 18.421 18.421 278 H LEU 44 HN LEU 44 16.611 16.746 16.746 279 HA LEU 44 HA LEU 44 18.873 16.488 16.488 280 1HB LEU 44 HB2 LEU 44 19.172 15.735 15.735 281 2HB LEU 44 HB1 LEU 44 18.894 17.395 17.395 282 HG LEU 44 HG LEU 44 20.800 18.009 18.009 283 1HD1 LEU 44 HD12 LEU 44 20.678 15.538 15.538 284 2HD1 LEU 44 HD11 LEU 44 21.700 15.192 15.192 285 3HD1 LEU 44 HD13 LEU 44 22.248 16.324 16.324 286 1HD2 LEU 44 HD23 LEU 44 21.154 16.533 16.533 287 2HD2 LEU 44 HD22 LEU 44 21.204 18.274 18.274 288 3HD2 LEU 44 HD21 LEU 44 22.525 17.249 17.249 289 H ALA 45 HN ALA 45 19.180 18.208 18.208 290 HA ALA 45 HA ALA 45 18.347 20.901 20.901 291 1HB ALA 45 HB3 ALA 45 18.770 19.722 19.722 292 2HB ALA 45 HB2 ALA 45 18.732 21.468 21.468 293 3HB ALA 45 HB1 ALA 45 17.324 20.490 20.490 294 H HIS 46 HN HIS 46 19.823 22.722 22.722 295 HA HIS 46 HA HIS 46 22.676 21.905 21.905 296 1HB HIS 46 HB2 HIS 46 22.481 22.285 22.285 297 2HB HIS 46 HB1 HIS 46 21.420 23.674 23.674 298 HD1 HIS 46 HD1 HIS 46 24.952 22.798 22.798 299 HD2 HIS 46 HD2 HIS 46 22.741 26.063 26.063 300 HE1 HIS 46 HE1 HIS 46 26.539 24.652 24.652 301 H SER 47 HN SER 47 23.319 22.862 22.862 302 HA SER 47 HA SER 47 22.005 25.105 25.105 303 1HB SER 47 HB2 SER 47 24.730 23.864 23.864 304 2HB SER 47 HB1 SER 47 24.127 25.206 25.206 305 HG SER 47 HG SER 47 23.467 22.563 22.563 306 H LEU 48 HN LEU 48 22.951 27.278 27.278 307 HA LEU 48 HA LEU 48 24.415 28.155 28.155 308 1HB LEU 48 HB2 LEU 48 22.716 29.698 29.698 309 2HB LEU 48 HB1 LEU 48 23.586 30.434 30.434 310 HG LEU 48 HG LEU 48 21.432 28.308 28.308 311 1HD1 LEU 48 HD12 LEU 48 21.166 31.039 31.039 312 2HD1 LEU 48 HD11 LEU 48 21.098 30.871 30.871 313 3HD1 LEU 48 HD13 LEU 48 19.958 29.987 29.987 314 1HD2 LEU 48 HD21 LEU 48 23.112 29.713 29.713 315 2HD2 LEU 48 HD23 LEU 48 23.096 27.986 27.986 316 3HD2 LEU 48 HD22 LEU 48 21.680 28.750 28.750 317 H THR 49 HN THR 49 24.931 27.490 27.490 318 HA THR 49 HA THR 49 26.676 29.608 29.608 319 HB THR 49 HB THR 49 26.537 26.694 26.694 320 HG1 THR 49 HG1 THR 49 25.659 29.160 29.160 321 1HG2 THR 49 HG23 THR 49 28.617 28.676 28.676 322 2HG2 THR 49 HG22 THR 49 27.885 28.086 28.086 323 3HG2 THR 49 HG21 THR 49 28.607 26.948 26.948 324 H THR 50 HN THR 50 28.193 26.462 26.462 325 HA THR 50 HA THR 50 30.398 27.691 27.691 326 HB THR 50 HB THR 50 30.823 26.251 26.251 327 HG1 THR 50 HG1 THR 50 32.422 26.493 26.493 328 1HG2 THR 50 HG23 THR 50 29.107 24.478 24.478 329 2HG2 THR 50 HG22 THR 50 30.653 23.695 23.695 330 3HG2 THR 50 HG21 THR 50 29.683 24.321 24.321 331 H GLY 51 HN GLY 51 27.583 26.620 26.620 332 1HA GLY 51 HA2 GLY 51 26.837 25.787 25.787 333 2HA GLY 51 HA1 GLY 51 28.508 25.875 25.875 334 H GLN 52 HN GLN 52 26.274 23.875 23.875 335 HA GLN 52 HA GLN 52 27.939 21.511 21.511 336 1HB GLN 52 HB2 GLN 52 26.605 22.182 22.182 337 2HB GLN 52 HB1 GLN 52 26.967 20.512 20.512 338 1HG GLN 52 HG2 GLN 52 29.207 22.364 22.364 339 2HG GLN 52 HG1 GLN 52 28.729 22.234 22.234 340 1HE2 GLN 52 HE22 GLN 52 30.302 18.958 18.958 341 2HE2 GLN 52 HE21 GLN 52 29.743 20.275 20.275 342 H THR 53 HN THR 53 26.690 19.512 19.512 343 HA THR 53 HA THR 53 23.808 20.036 20.036 344 HB THR 53 HB THR 53 25.896 19.219 19.219 345 HG1 THR 53 HG1 THR 53 23.614 20.330 20.330 346 1HG2 THR 53 HG22 THR 53 23.876 17.051 17.051 347 2HG2 THR 53 HG21 THR 53 24.707 17.163 17.163 348 3HG2 THR 53 HG23 THR 53 25.631 16.910 16.910 349 H GLY 54 HN GLY 54 22.427 18.068 18.068 350 1HA GLY 54 HA2 GLY 54 23.279 15.616 15.616 351 2HA GLY 54 HA1 GLY 54 22.946 16.690 16.690 352 H TYR 55 HN TYR 55 21.558 14.327 14.327 353 HA TYR 55 HA TYR 55 19.003 15.250 15.250 354 1HB TYR 55 HB2 TYR 55 19.625 12.563 12.563 355 2HB TYR 55 HB1 TYR 55 18.301 12.946 12.946 356 HD1 TYR 55 HD1 TYR 55 19.025 13.957 13.957 357 HD2 TYR 55 HD2 TYR 55 21.621 11.715 11.715 358 HE1 TYR 55 HE1 TYR 55 20.460 13.461 13.461 359 HE2 TYR 55 HE2 TYR 55 23.058 11.222 11.222 360 HH TYR 55 HH TYR 55 22.595 12.765 12.765 361 H ILE 56 HN ILE 56 17.861 16.563 16.563 362 HA ILE 56 HA ILE 56 17.736 15.895 15.895 363 HB ILE 56 HB ILE 56 16.407 17.991 17.991 364 1HG1 ILE 56 HG12 ILE 56 16.995 18.689 18.689 365 2HG1 ILE 56 HG11 ILE 56 15.705 17.514 17.514 366 1HG2 ILE 56 HG21 ILE 56 19.016 18.082 18.082 367 2HG2 ILE 56 HG23 ILE 56 18.249 19.520 19.520 368 3HG2 ILE 56 HG22 ILE 56 18.792 18.226 18.226 369 1HD1 ILE 56 HD12 ILE 56 15.697 19.915 19.915 370 2HD1 ILE 56 HD11 ILE 56 15.262 20.166 20.166 371 3HD1 ILE 56 HD13 ILE 56 14.341 19.032 19.032 372 HA PRO 57 HA PRO 57 14.015 13.597 13.597 373 1HB PRO 57 HB2 PRO 57 12.964 14.725 14.725 374 2HB PRO 57 HB1 PRO 57 13.746 13.156 13.156 375 1HG PRO 57 HG2 PRO 57 14.823 15.490 15.490 376 2HG PRO 57 HG1 PRO 57 15.612 13.928 13.928 377 1HD PRO 57 HD1 PRO 57 16.168 16.428 16.428 378 2HD PRO 57 HD2 PRO 57 16.981 14.867 14.867 379 H SER 58 HN SER 58 11.831 13.921 13.921 380 HA SER 58 HA SER 58 11.156 16.684 16.684 381 1HB SER 58 HB2 SER 58 9.984 15.690 15.690 382 2HB SER 58 HB1 SER 58 10.637 14.153 14.153 383 HG SER 58 HG SER 58 8.848 13.830 13.830 384 H ASN 59 HN ASN 59 10.264 14.339 14.339 385 HA ASN 59 HA ASN 59 7.871 15.884 15.884 386 1HB ASN 59 HB2 ASN 59 8.464 13.214 13.214 387 2HB ASN 59 HB1 ASN 59 8.830 13.741 13.741 388 1HD2 ASN 59 HD22 ASN 59 5.423 13.833 13.833 389 2HD2 ASN 59 HD21 ASN 59 7.034 13.613 13.613 390 H TYR 60 HN TYR 60 10.760 16.885 16.885 391 HA TYR 60 HA TYR 60 10.559 17.637 17.637 392 1HB TYR 60 HB2 TYR 60 12.909 16.593 16.593 393 2HB TYR 60 HB1 TYR 60 13.191 17.774 17.774 394 HD1 TYR 60 HD2 TYR 60 11.129 14.684 14.684 395 HD2 TYR 60 HD1 TYR 60 13.564 16.907 16.907 396 HE1 TYR 60 HE2 TYR 60 10.882 12.919 12.919 397 HE2 TYR 60 HE1 TYR 60 13.320 15.139 15.139 398 HH TYR 60 HH TYR 60 12.629 13.040 13.040 399 H VAL 61 HN VAL 61 10.492 18.713 18.713 400 HA VAL 61 HA VAL 61 11.316 21.443 21.443 401 HB VAL 61 HB VAL 61 13.151 20.821 20.821 402 1HG1 VAL 61 HG11 VAL 61 11.078 19.294 19.294 403 2HG1 VAL 61 HG13 VAL 61 12.501 19.839 19.839 404 3HG1 VAL 61 HG12 VAL 61 12.685 18.788 18.788 405 1HG2 VAL 61 HG22 VAL 61 12.152 22.963 22.963 406 2HG2 VAL 61 HG21 VAL 61 12.924 22.119 22.119 407 3HG2 VAL 61 HG23 VAL 61 11.169 22.093 22.093 408 H ALA 62 HN ALA 62 10.390 23.126 23.126 409 HA ALA 62 HA ALA 62 8.061 22.349 22.349 410 1HB ALA 62 HB3 ALA 62 7.731 23.814 23.814 411 2HB ALA 62 HB2 ALA 62 6.483 23.740 23.740 412 3HB ALA 62 HB1 ALA 62 7.023 22.261 22.261 413 HA PRO 63 HA PRO 63 9.267 26.011 26.011 414 1HB PRO 63 HB2 PRO 63 6.596 26.586 26.586 415 2HB PRO 63 HB1 PRO 63 7.904 25.824 25.824 416 1HG PRO 63 HG2 PRO 63 5.525 24.575 24.575 417 2HG PRO 63 HG1 PRO 63 6.822 23.817 23.817 418 1HD PRO 63 HD1 PRO 63 6.273 23.534 23.534 419 2HD PRO 63 HD2 PRO 63 7.581 22.782 22.782 420 H SER 64 HN SER 64 9.712 27.721 27.721 421 HA SER 64 HA SER 64 7.665 29.655 29.655 422 1HB SER 64 HB2 SER 64 7.577 29.439 29.439 423 2HB SER 64 HB1 SER 64 7.157 27.876 27.876 424 HG SER 64 HG SER 64 9.391 28.647 28.647 425 1H ALA 71 HT1 ALA 71 9.780 17.500 17.500 426 2H ALA 71 HT3 ALA 71 10.108 19.153 19.153 427 3H ALA 71 HT2 ALA 71 8.834 18.426 18.426 428 HA ALA 71 HA ALA 71 10.601 18.680 18.680 429 1HB ALA 71 HB1 ALA 71 12.325 18.929 18.929 430 2HB ALA 71 HB3 ALA 71 12.344 17.169 17.169 431 3HB ALA 71 HB2 ALA 71 12.847 17.961 17.961 432 H PHE 72 HN PHE 72 8.483 16.959 16.959 433 HA PHE 72 HA PHE 72 9.597 14.228 14.228 434 1HB PHE 72 HB2 PHE 72 7.603 14.466 14.466 435 2HB PHE 72 HB1 PHE 72 6.712 15.162 15.162 436 HD1 PHE 72 HD2 PHE 72 9.159 12.352 12.352 437 HD2 PHE 72 HD1 PHE 72 5.068 13.488 13.488 438 HE1 PHE 72 HE2 PHE 72 8.596 10.097 10.097 439 HE2 PHE 72 HE1 PHE 72 4.509 11.232 11.232 440 HZ PHE 72 HZ PHE 72 6.272 9.534 9.534 441 H ALA 73 HN ALA 73 10.523 14.397 14.397 442 HA ALA 73 HA ALA 73 8.957 15.542 15.542 443 1HB ALA 73 HB3 ALA 73 11.654 14.165 14.165 444 2HB ALA 73 HB2 ALA 73 10.935 14.800 14.800 445 3HB ALA 73 HB1 ALA 73 11.350 15.894 15.894 446 HA PRO 74 HA PRO 74 6.911 11.855 11.855 447 1HB PRO 74 HB2 PRO 74 7.133 12.440 12.440 448 2HB PRO 74 HB1 PRO 74 5.731 12.675 12.675 449 1HG PRO 74 HG2 PRO 74 7.469 14.698 14.698 450 2HG PRO 74 HG1 PRO 74 6.067 14.932 14.932 451 1HD PRO 74 HD1 PRO 74 8.860 15.219 15.219 452 2HD PRO 74 HD2 PRO 74 7.454 15.463 15.463 453 HA PRO 75 HA PRO 75 10.107 8.989 8.989 454 1HB PRO 75 HB2 PRO 75 8.298 7.169 7.169 455 2HB PRO 75 HB1 PRO 75 8.954 7.063 7.063 456 1HG PRO 75 HG2 PRO 75 6.258 7.734 7.734 457 2HG PRO 75 HG1 PRO 75 6.915 7.634 7.634 458 1HD PRO 75 HD1 PRO 75 6.196 10.006 10.006 459 2HD PRO 75 HD2 PRO 75 6.851 9.906 9.906 460 H LEU 76 HN LEU 76 11.509 9.081 9.081 461 HA LEU 76 HA LEU 76 10.830 10.260 10.260 462 1HB LEU 76 HB2 LEU 76 13.166 8.817 8.817 463 2HB LEU 76 HB1 LEU 76 13.044 8.828 8.828 464 HG LEU 76 HG LEU 76 12.527 11.420 11.420 465 1HD1 LEU 76 HD13 LEU 76 14.472 10.405 10.405 466 2HD1 LEU 76 HD12 LEU 76 15.348 10.345 10.345 467 3HD1 LEU 76 HD11 LEU 76 14.859 11.899 11.899 468 1HD2 LEU 76 HD22 LEU 76 13.135 10.430 10.430 469 2HD2 LEU 76 HD21 LEU 76 12.887 12.110 12.110 470 3HD2 LEU 76 HD23 LEU 76 14.509 11.417 11.417 471 HA PRO 77 HA PRO 77 8.704 6.903 6.903 472 1HB PRO 77 HB2 PRO 77 9.332 7.913 7.913 473 2HB PRO 77 HB1 PRO 77 7.813 8.077 8.077 474 1HG PRO 77 HG2 PRO 77 9.791 10.120 10.120 475 2HG PRO 77 HG1 PRO 77 8.258 10.291 10.291 476 1HD PRO 77 HD1 PRO 77 10.921 10.285 10.285 477 2HD PRO 77 HD2 PRO 77 9.382 10.451 10.451 478 H ARG 78 HN ARG 78 9.326 5.635 5.635 479 HA ARG 78 HA ARG 78 12.038 4.556 4.556 480 1HB ARG 78 HB2 ARG 78 9.921 3.088 3.088 481 2HB ARG 78 HB1 ARG 78 10.020 3.392 3.392 482 1HG ARG 78 HG2 ARG 78 11.916 2.122 2.122 483 2HG ARG 78 HG1 ARG 78 12.538 2.550 2.550 484 1HD ARG 78 HD2 ARG 78 11.950 0.268 0.268 485 2HD ARG 78 HD1 ARG 78 10.584 1.127 1.127 486 HE ARG 78 HE ARG 78 9.239 0.364 0.364 487 1HH1 ARG 78 HH21 ARG 78 12.611 0.015 0.015 488 2HH1 ARG 78 HH22 ARG 78 12.360 -0.888 -0.888 489 1HH2 ARG 78 HH11 ARG 78 8.901 -0.814 -0.814 490 2HH2 ARG 78 HH12 ARG 78 10.262 -1.356 -1.356 491 H ARG 79 HN ARG 79 13.650 4.540 4.540 492 HA ARG 79 HA ARG 79 12.974 5.845 5.845 493 1HB ARG 79 HB2 ARG 79 14.933 7.235 7.235 494 2HB ARG 79 HB1 ARG 79 14.072 7.444 7.444 495 1HG ARG 79 HG2 ARG 79 15.564 5.851 5.851 496 2HG ARG 79 HG1 ARG 79 16.384 5.527 5.527 497 1HD ARG 79 HD2 ARG 79 17.074 7.906 7.906 498 2HD ARG 79 HD1 ARG 79 16.289 8.199 8.199 499 HE ARG 79 HE ARG 79 18.030 6.120 6.120 500 1HH1 ARG 79 HH21 ARG 79 18.261 9.246 9.246 501 2HH1 ARG 79 HH22 ARG 79 19.896 9.503 9.503 502 1HH2 ARG 79 HH11 ARG 79 20.162 6.447 6.447 503 2HH2 ARG 79 HH12 ARG 79 20.971 7.922 7.922 Start of MODEL 14 1 1H THR 9 HT1 THR 9 13.236 27.740 27.740 2 2H THR 9 HT3 THR 9 12.781 29.375 29.375 3 3H THR 9 HT2 THR 9 14.347 28.913 28.913 4 HA THR 9 HA THR 9 15.066 28.584 28.584 5 HB THR 9 HB THR 9 13.023 30.517 30.517 6 HG1 THR 9 HG1 THR 9 13.364 31.967 31.967 7 1HG2 THR 9 HG23 THR 9 15.949 30.091 30.091 8 2HG2 THR 9 HG22 THR 9 15.439 31.777 31.777 9 3HG2 THR 9 HG21 THR 9 14.883 30.749 30.749 10 H PHE 10 HN PHE 10 14.704 26.866 26.866 11 HA PHE 10 HA PHE 10 11.927 26.486 26.486 12 1HB PHE 10 HB2 PHE 10 14.067 24.555 24.555 13 2HB PHE 10 HB1 PHE 10 12.943 24.082 24.082 14 HD1 PHE 10 HD2 PHE 10 12.482 26.135 26.135 15 HD2 PHE 10 HD1 PHE 10 11.328 22.647 22.647 16 HE1 PHE 10 HE2 PHE 10 10.748 25.669 25.669 17 HE2 PHE 10 HE1 PHE 10 9.590 22.190 22.190 18 HZ PHE 10 HZ PHE 10 9.303 23.697 23.697 19 H VAL 11 HN VAL 11 11.710 25.974 25.974 20 HA VAL 11 HA VAL 11 14.107 26.741 26.741 21 HB VAL 11 HB VAL 11 11.246 26.804 26.804 22 1HG1 VAL 11 HG11 VAL 11 13.902 27.889 27.889 23 2HG1 VAL 11 HG13 VAL 11 12.428 28.743 28.743 24 3HG1 VAL 11 HG12 VAL 11 12.665 27.066 27.066 25 1HG2 VAL 11 HG21 VAL 11 11.670 28.177 28.177 26 2HG2 VAL 11 HG23 VAL 11 11.001 29.039 29.039 27 3HG2 VAL 11 HG22 VAL 11 12.716 29.182 29.182 28 H ALA 12 HN ALA 12 14.517 25.524 25.524 29 HA ALA 12 HA ALA 12 13.803 22.697 22.697 30 1HB ALA 12 HB2 ALA 12 16.072 23.616 23.616 31 2HB ALA 12 HB1 ALA 12 15.289 23.977 23.977 32 3HB ALA 12 HB3 ALA 12 15.393 22.310 22.310 33 H LEU 13 HN LEU 13 11.898 21.975 21.975 34 HA LEU 13 HA LEU 13 10.472 23.458 23.458 35 1HB LEU 13 HB2 LEU 13 9.825 21.118 21.118 36 2HB LEU 13 HB1 LEU 13 8.826 21.461 21.461 37 HG LEU 13 HG LEU 13 9.440 23.387 23.387 38 1HD1 LEU 13 HD12 LEU 13 7.139 21.609 21.609 39 2HD1 LEU 13 HD11 LEU 13 6.781 23.189 23.189 40 3HD1 LEU 13 HD13 LEU 13 7.780 22.038 22.038 41 1HD2 LEU 13 HD23 LEU 13 8.240 23.708 23.708 42 2HD2 LEU 13 HD22 LEU 13 9.156 24.864 24.864 43 3HD2 LEU 13 HD21 LEU 13 7.456 24.562 24.562 44 H TYR 14 HN TYR 14 12.130 20.340 20.340 45 HA TYR 14 HA TYR 14 11.969 20.034 20.034 46 1HB TYR 14 HB2 TYR 14 11.660 17.906 17.906 47 2HB TYR 14 HB1 TYR 14 11.939 17.542 17.542 48 HD1 TYR 14 HD2 TYR 14 9.768 19.797 19.797 49 HD2 TYR 14 HD1 TYR 14 10.023 17.197 17.197 50 HE1 TYR 14 HE2 TYR 14 7.399 20.195 20.195 51 HE2 TYR 14 HE1 TYR 14 7.644 17.571 17.571 52 HH TYR 14 HH TYR 14 5.508 18.734 18.734 53 H ASP 15 HN ASP 15 13.863 19.258 19.258 54 HA ASP 15 HA ASP 15 16.345 19.819 19.819 55 1HB ASP 15 HB2 ASP 15 17.314 18.599 18.599 56 2HB ASP 15 HB1 ASP 15 16.226 19.924 19.924 57 H TYR 16 HN TYR 16 16.627 18.622 18.622 58 HA TYR 16 HA TYR 16 16.098 15.785 15.785 59 1HB TYR 16 HB2 TYR 16 16.093 17.159 17.159 60 2HB TYR 16 HB1 TYR 16 17.777 17.612 17.612 61 HD1 TYR 16 HD2 TYR 16 15.653 14.551 14.551 62 HD2 TYR 16 HD1 TYR 16 19.439 16.337 16.337 63 HE1 TYR 16 HE2 TYR 16 16.345 12.562 12.562 64 HE2 TYR 16 HE1 TYR 16 20.142 14.336 14.336 65 HH TYR 16 HH TYR 16 19.049 12.469 12.469 66 H GLU 17 HN GLU 17 17.245 14.418 14.418 67 HA GLU 17 HA GLU 17 20.135 14.935 14.935 68 1HB GLU 17 HB2 GLU 17 17.998 13.576 13.576 69 2HB GLU 17 HB1 GLU 17 19.462 12.601 12.601 70 1HG GLU 17 HG2 GLU 17 19.637 15.514 15.514 71 2HG GLU 17 HG1 GLU 17 19.233 14.310 14.310 72 H SER 18 HN SER 18 20.689 14.371 14.371 73 HA SER 18 HA SER 18 20.136 12.124 12.124 74 1HB SER 18 HB2 SER 18 22.930 12.273 12.273 75 2HB SER 18 HB1 SER 18 21.771 13.115 13.115 76 HG SER 18 HG SER 18 23.404 14.391 14.391 77 H ARG 19 HN ARG 19 19.726 10.200 10.200 78 HA ARG 19 HA ARG 19 21.611 9.166 9.166 79 1HB ARG 19 HB2 ARG 19 18.997 8.246 8.246 80 2HB ARG 19 HB1 ARG 19 20.008 7.101 7.101 81 1HG ARG 19 HG2 ARG 19 19.658 9.726 9.726 82 2HG ARG 19 HG1 ARG 19 18.189 8.761 8.761 83 1HD ARG 19 HD2 ARG 19 20.715 7.435 7.435 84 2HD ARG 19 HD1 ARG 19 19.811 8.436 8.436 85 HE ARG 19 HE ARG 19 18.135 6.502 6.502 86 1HH1 ARG 19 HH21 ARG 19 20.271 7.108 7.108 87 2HH1 ARG 19 HH22 ARG 19 19.611 5.850 5.850 88 1HH2 ARG 19 HH11 ARG 19 17.269 4.857 4.857 89 2HH2 ARG 19 HH12 ARG 19 17.915 4.575 4.575 90 H THR 20 HN THR 20 21.969 9.449 9.449 91 HA THR 20 HA THR 20 23.219 6.745 6.745 92 HB THR 20 HB THR 20 21.529 6.753 6.753 93 HG1 THR 20 HG1 THR 20 22.689 7.344 7.344 94 1HG2 THR 20 HG21 THR 20 20.910 9.148 9.148 95 2HG2 THR 20 HG23 THR 20 22.231 9.626 9.626 96 3HG2 THR 20 HG22 THR 20 20.875 8.698 8.698 97 H GLU 21 HN GLU 21 25.202 6.751 6.751 98 HA GLU 21 HA GLU 21 26.847 9.108 9.108 99 1HB GLU 21 HB2 GLU 21 28.641 7.655 7.655 100 2HB GLU 21 HB1 GLU 21 27.900 6.990 6.990 101 1HG GLU 21 HG2 GLU 21 26.371 6.258 6.258 102 2HG GLU 21 HG1 GLU 21 28.056 5.771 5.771 103 H THR 22 HN THR 22 24.810 9.721 9.721 104 HA THR 22 HA THR 22 26.469 10.399 10.399 105 HB THR 22 HB THR 22 23.651 9.389 9.389 106 HG1 THR 22 HG1 THR 22 25.041 7.786 7.786 107 1HG2 THR 22 HG23 THR 22 25.712 10.499 10.499 108 2HG2 THR 22 HG22 THR 22 25.434 8.829 8.829 109 3HG2 THR 22 HG21 THR 22 24.095 9.975 9.975 110 H ASP 23 HN ASP 23 22.988 10.689 10.689 111 HA ASP 23 HA ASP 23 22.799 13.386 13.386 112 1HB ASP 23 HB2 ASP 23 21.074 12.107 12.107 113 2HB ASP 23 HB1 ASP 23 20.629 13.419 13.419 114 H LEU 24 HN LEU 24 22.924 15.356 15.356 115 HA LEU 24 HA LEU 24 24.534 15.244 15.244 116 1HB LEU 24 HB2 LEU 24 23.754 17.396 17.396 117 2HB LEU 24 HB1 LEU 24 24.323 17.843 17.843 118 HG LEU 24 HG LEU 24 26.345 16.408 16.408 119 1HD1 LEU 24 HD11 LEU 24 25.092 16.185 16.185 120 2HD1 LEU 24 HD13 LEU 24 26.788 15.824 15.824 121 3HD1 LEU 24 HD12 LEU 24 25.523 14.870 14.870 122 1HD2 LEU 24 HD23 LEU 24 25.654 18.817 18.817 123 2HD2 LEU 24 HD22 LEU 24 26.906 18.607 18.607 124 3HD2 LEU 24 HD21 LEU 24 27.147 17.973 17.973 125 H SER 25 HN SER 25 23.884 16.728 16.728 126 HA SER 25 HA SER 25 20.951 16.463 16.463 127 1HB SER 25 HB2 SER 25 22.356 17.224 17.224 128 2HB SER 25 HB1 SER 25 21.558 15.693 15.693 129 HG SER 25 HG SER 25 24.235 16.430 16.430 130 H PHE 26 HN PHE 26 19.715 18.276 18.276 131 HA PHE 26 HA PHE 26 21.158 20.866 20.866 132 1HB PHE 26 HB2 PHE 26 19.467 21.935 21.935 133 2HB PHE 26 HB1 PHE 26 20.471 20.762 20.762 134 HD1 PHE 26 HD2 PHE 26 17.122 21.393 21.393 135 HD2 PHE 26 HD1 PHE 26 19.512 18.683 18.683 136 HE1 PHE 26 HE2 PHE 26 15.096 20.198 20.198 137 HE2 PHE 26 HE1 PHE 26 17.482 17.496 17.496 138 HZ PHE 26 HZ PHE 26 15.276 18.257 18.257 139 H LYS 27 HN LYS 27 20.514 21.758 21.758 140 HA LYS 27 HA LYS 27 18.233 20.809 20.809 141 1HB LYS 27 HB2 LYS 27 20.289 22.939 22.939 142 2HB LYS 27 HB1 LYS 27 18.792 23.135 23.135 143 1HG LYS 27 HG2 LYS 27 19.631 21.693 21.693 144 2HG LYS 27 HG1 LYS 27 19.476 20.428 20.428 145 1HD LYS 27 HD2 LYS 27 21.714 20.346 20.346 146 2HD LYS 27 HD1 LYS 27 21.842 22.103 22.103 147 1HE LYS 27 HE2 LYS 27 21.574 22.087 22.087 148 2HE LYS 27 HE1 LYS 27 21.824 20.343 20.343 149 1HZ LYS 27 HZ2 LYS 27 23.770 21.740 21.740 150 2HZ LYS 27 HZ1 LYS 27 23.767 22.282 22.282 151 3HZ LYS 27 HZ3 LYS 27 23.991 20.633 20.633 152 H LYS 28 HN LYS 28 16.596 22.541 22.541 153 HA LYS 28 HA LYS 28 15.194 23.592 23.592 154 1HB LYS 28 HB2 LYS 28 14.029 22.528 22.528 155 2HB LYS 28 HB1 LYS 28 14.496 23.927 23.927 156 1HG LYS 28 HG2 LYS 28 13.326 24.836 24.836 157 2HG LYS 28 HG1 LYS 28 12.238 23.675 23.675 158 1HD LYS 28 HD2 LYS 28 13.493 26.016 26.016 159 2HD LYS 28 HD1 LYS 28 11.880 26.056 26.056 160 1HE LYS 28 HE2 LYS 28 11.456 23.898 23.898 161 2HE LYS 28 HE1 LYS 28 12.882 24.388 24.388 162 1HZ LYS 28 HZ1 LYS 28 10.958 26.492 26.492 163 2HZ LYS 28 HZ3 LYS 28 10.393 25.232 25.232 164 3HZ LYS 28 HZ2 LYS 28 11.796 26.084 26.084 165 H GLY 29 HN GLY 29 14.689 25.838 25.838 166 1HA GLY 29 HA2 GLY 29 14.877 28.189 28.189 167 2HA GLY 29 HA1 GLY 29 16.313 27.753 27.753 168 H GLU 30 HN GLU 30 17.590 26.164 26.164 169 HA GLU 30 HA GLU 30 18.849 28.254 28.254 170 1HB GLU 30 HB2 GLU 30 20.001 26.160 26.160 171 2HB GLU 30 HB1 GLU 30 19.059 25.255 25.255 172 1HG GLU 30 HG2 GLU 30 20.174 26.197 26.197 173 2HG GLU 30 HG1 GLU 30 20.588 27.664 27.664 174 H ARG 31 HN ARG 31 19.047 28.022 28.022 175 HA ARG 31 HA ARG 31 16.437 27.137 27.137 176 1HB ARG 31 HB2 ARG 31 18.022 29.616 29.616 177 2HB ARG 31 HB1 ARG 31 16.525 29.085 29.085 178 1HG ARG 31 HG2 ARG 31 15.299 30.056 30.056 179 2HG ARG 31 HG1 ARG 31 16.178 29.169 29.169 180 1HD ARG 31 HD2 ARG 31 16.914 31.239 31.239 181 2HD ARG 31 HD1 ARG 31 18.043 31.029 31.029 182 HE ARG 31 HE ARG 31 15.764 32.106 32.106 183 1HH1 ARG 31 HH21 ARG 31 17.898 32.918 32.918 184 2HH1 ARG 31 HH22 ARG 31 17.686 34.626 34.626 185 1HH2 ARG 31 HH11 ARG 31 15.483 34.331 34.331 186 2HH2 ARG 31 HH12 ARG 31 16.322 35.425 35.425 187 H LEU 32 HN LEU 32 16.738 25.638 25.638 188 HA LEU 32 HA LEU 32 19.408 25.517 25.517 189 1HB LEU 32 HB2 LEU 32 17.398 23.418 23.418 190 2HB LEU 32 HB1 LEU 32 18.493 23.115 23.115 191 HG LEU 32 HG LEU 32 20.290 24.019 24.019 192 1HD1 LEU 32 HD11 LEU 32 18.035 24.030 24.030 193 2HD1 LEU 32 HD13 LEU 32 18.738 22.459 22.459 194 3HD1 LEU 32 HD12 LEU 32 19.684 23.929 23.929 195 1HD2 LEU 32 HD21 LEU 32 19.102 21.257 21.257 196 2HD2 LEU 32 HD23 LEU 32 20.589 21.886 21.886 197 3HD2 LEU 32 HD22 LEU 32 20.511 21.554 21.554 198 H GLN 33 HN GLN 33 19.398 25.293 25.293 199 HA GLN 33 HA GLN 33 16.746 26.127 26.127 200 1HB GLN 33 HB2 GLN 33 19.549 26.368 26.368 201 2HB GLN 33 HB1 GLN 33 18.115 26.721 26.721 202 1HG GLN 33 HG2 GLN 33 19.441 28.559 28.559 203 2HG GLN 33 HG1 GLN 33 17.773 28.713 28.713 204 1HE2 GLN 33 HE22 GLN 33 18.571 27.969 27.969 205 2HE2 GLN 33 HE21 GLN 33 19.821 28.018 28.018 206 H ILE 34 HN ILE 34 15.657 24.243 24.243 207 HA ILE 34 HA ILE 34 16.450 21.707 21.707 208 HB ILE 34 HB ILE 34 14.122 23.125 23.125 209 1HG1 ILE 34 HG12 ILE 34 13.993 23.479 23.479 210 2HG1 ILE 34 HG11 ILE 34 12.851 22.199 22.199 211 1HG2 ILE 34 HG23 ILE 34 14.779 20.222 20.222 212 2HG2 ILE 34 HG22 ILE 34 13.153 20.773 20.773 213 3HG2 ILE 34 HG21 ILE 34 14.467 20.969 20.969 214 1HD1 ILE 34 HD13 ILE 34 15.217 20.819 20.819 215 2HD1 ILE 34 HD12 ILE 34 15.245 22.082 22.082 216 3HD1 ILE 34 HD11 ILE 34 13.882 20.966 20.966 217 H VAL 35 HN VAL 35 16.380 20.540 20.540 218 HA VAL 35 HA VAL 35 17.620 22.192 22.192 219 HB VAL 35 HB VAL 35 18.203 19.364 19.364 220 1HG1 VAL 35 HG11 VAL 35 18.792 20.763 20.763 221 2HG1 VAL 35 HG13 VAL 35 19.905 19.546 19.546 222 3HG1 VAL 35 HG12 VAL 35 18.234 19.112 19.112 223 1HG2 VAL 35 HG23 VAL 35 19.610 22.002 22.002 224 2HG2 VAL 35 HG22 VAL 35 19.611 20.729 20.729 225 3HG2 VAL 35 HG21 VAL 35 20.585 20.552 20.552 226 H ASN 36 HN ASN 36 15.579 19.374 19.374 227 HA ASN 36 HA ASN 36 13.661 19.921 19.921 228 1HB ASN 36 HB2 ASN 36 15.906 19.250 19.250 229 2HB ASN 36 HB1 ASN 36 15.290 17.627 17.627 230 1HD2 ASN 36 HD22 ASN 36 13.035 17.883 17.883 231 2HD2 ASN 36 HD21 ASN 36 14.072 16.914 16.914 232 H ASN 37 HN ASN 37 13.273 17.108 17.108 233 HA ASN 37 HA ASN 37 12.387 15.097 15.097 234 1HB ASN 37 HB2 ASN 37 13.331 15.965 15.965 235 2HB ASN 37 HB1 ASN 37 13.039 14.325 14.325 236 1HD2 ASN 37 HD22 ASN 37 16.674 14.622 14.622 237 2HD2 ASN 37 HD21 ASN 37 15.478 14.347 14.347 238 H THR 38 HN THR 38 10.969 17.735 17.735 239 HA THR 38 HA THR 38 9.314 18.078 18.078 240 HB THR 38 HB THR 38 9.470 19.600 19.600 241 HG1 THR 38 HG1 THR 38 7.400 20.303 20.303 242 1HG2 THR 38 HG23 THR 38 8.847 17.408 17.408 243 2HG2 THR 38 HG22 THR 38 7.227 18.073 18.073 244 3HG2 THR 38 HG21 THR 38 8.483 19.041 19.041 245 H GLU 39 HN GLU 39 9.405 15.501 15.501 246 HA GLU 39 HA GLU 39 6.619 14.684 14.684 247 1HB GLU 39 HB2 GLU 39 8.787 13.834 13.834 248 2HB GLU 39 HB1 GLU 39 7.626 12.600 12.600 249 1HG GLU 39 HG2 GLU 39 6.047 13.473 13.473 250 2HG GLU 39 HG1 GLU 39 6.255 15.069 15.069 251 H GLY 40 HN GLY 40 9.760 13.002 13.002 252 1HA GLY 40 HA2 GLY 40 8.968 10.890 10.890 253 2HA GLY 40 HA1 GLY 40 10.587 11.588 11.588 254 H ASP 41 HN ASP 41 9.947 10.781 10.781 255 HA ASP 41 HA ASP 41 8.506 12.945 12.945 256 1HB ASP 41 HB2 ASP 41 8.442 10.239 10.239 257 2HB ASP 41 HB1 ASP 41 9.657 10.699 10.699 258 H TRP 42 HN TRP 42 11.711 11.534 11.534 259 HA TRP 42 HA TRP 42 12.785 13.421 13.421 260 1HB TRP 42 HB2 TRP 42 13.903 10.982 10.982 261 2HB TRP 42 HB1 TRP 42 14.956 12.113 12.113 262 HD1 TRP 42 HD1 TRP 42 11.743 10.001 10.001 263 HE1 TRP 42 HE1 TRP 42 11.928 9.387 9.387 264 HE3 TRP 42 HE3 TRP 42 15.915 12.440 12.440 265 HZ2 TRP 42 HZ2 TRP 42 13.743 9.899 9.899 266 HZ3 TRP 42 HZ3 TRP 42 16.902 12.413 12.413 267 HH2 TRP 42 HH2 TRP 42 15.816 11.142 11.142 268 H TRP 43 HN TRP 43 13.952 15.207 15.207 269 HA TRP 43 HA TRP 43 14.655 15.410 15.410 270 1HB TRP 43 HB2 TRP 43 13.958 17.764 17.764 271 2HB TRP 43 HB1 TRP 43 14.059 17.713 17.713 272 HD1 TRP 43 HD1 TRP 43 12.320 14.991 14.991 273 HE1 TRP 43 HE1 TRP 43 9.831 15.239 15.239 274 HE3 TRP 43 HE3 TRP 43 12.339 19.091 19.091 275 HZ2 TRP 43 HZ2 TRP 43 7.975 17.058 17.058 276 HZ3 TRP 43 HZ3 TRP 43 10.277 20.108 20.108 277 HH2 TRP 43 HH2 TRP 43 8.095 19.095 19.095 278 H LEU 44 HN LEU 44 16.513 16.821 16.821 279 HA LEU 44 HA LEU 44 18.513 16.672 16.672 280 1HB LEU 44 HB2 LEU 44 19.113 15.622 15.622 281 2HB LEU 44 HB1 LEU 44 18.905 17.184 17.184 282 HG LEU 44 HG LEU 44 20.647 17.312 17.312 283 1HD1 LEU 44 HD13 LEU 44 21.249 15.438 15.438 284 2HD1 LEU 44 HD12 LEU 44 22.556 16.285 16.285 285 3HD1 LEU 44 HD11 LEU 44 21.505 15.199 15.199 286 1HD2 LEU 44 HD22 LEU 44 20.433 18.351 18.351 287 2HD2 LEU 44 HD21 LEU 44 20.880 19.188 19.188 288 3HD2 LEU 44 HD23 LEU 44 22.071 18.206 18.206 289 H ALA 45 HN ALA 45 19.342 18.587 18.587 290 HA ALA 45 HA ALA 45 18.516 21.099 21.099 291 1HB ALA 45 HB3 ALA 45 17.300 20.321 20.321 292 2HB ALA 45 HB2 ALA 45 18.705 21.101 21.101 293 3HB ALA 45 HB1 ALA 45 17.636 22.019 22.019 294 H HIS 46 HN HIS 46 19.871 22.901 22.901 295 HA HIS 46 HA HIS 46 22.373 22.675 22.675 296 1HB HIS 46 HB2 HIS 46 22.730 21.436 21.436 297 2HB HIS 46 HB1 HIS 46 22.587 23.013 23.013 298 HD1 HIS 46 HD1 HIS 46 25.232 21.090 21.090 299 HD2 HIS 46 HD2 HIS 46 24.325 24.847 24.847 300 HE1 HIS 46 HE1 HIS 46 27.354 22.095 22.095 301 H SER 47 HN SER 47 23.174 24.726 24.726 302 HA SER 47 HA SER 47 23.409 27.095 27.095 303 1HB SER 47 HB2 SER 47 20.422 26.686 26.686 304 2HB SER 47 HB1 SER 47 21.136 28.296 28.296 305 HG SER 47 HG SER 47 21.403 28.170 28.170 306 H LEU 48 HN LEU 48 21.912 25.293 25.293 307 HA LEU 48 HA LEU 48 21.196 26.443 26.443 308 1HB LEU 48 HB2 LEU 48 23.284 25.238 25.238 309 2HB LEU 48 HB1 LEU 48 21.973 24.317 24.317 310 HG LEU 48 HG LEU 48 24.077 25.200 25.200 311 1HD1 LEU 48 HD11 LEU 48 25.253 24.508 24.508 312 2HD1 LEU 48 HD13 LEU 48 24.725 22.875 22.875 313 3HD1 LEU 48 HD12 LEU 48 25.802 23.748 23.748 314 1HD2 LEU 48 HD23 LEU 48 22.034 23.521 23.521 315 2HD2 LEU 48 HD22 LEU 48 23.534 23.306 23.306 316 3HD2 LEU 48 HD21 LEU 48 23.245 22.365 22.365 317 H THR 49 HN THR 49 24.739 26.562 26.562 318 HA THR 49 HA THR 49 24.777 29.443 29.443 319 HB THR 49 HB THR 49 26.612 28.260 28.260 320 HG1 THR 49 HG1 THR 49 23.930 27.548 27.548 321 1HG2 THR 49 HG22 THR 49 25.309 30.531 30.531 322 2HG2 THR 49 HG21 THR 49 24.049 29.633 29.633 323 3HG2 THR 49 HG23 THR 49 25.650 29.797 29.797 324 H THR 50 HN THR 50 27.072 26.696 26.696 325 HA THR 50 HA THR 50 29.053 28.225 28.225 326 HB THR 50 HB THR 50 30.470 26.153 26.153 327 HG1 THR 50 HG1 THR 50 29.518 24.493 24.493 328 1HG2 THR 50 HG23 THR 50 29.212 27.619 27.619 329 2HG2 THR 50 HG22 THR 50 30.667 26.628 26.628 330 3HG2 THR 50 HG21 THR 50 30.671 28.080 28.080 331 H GLY 51 HN GLY 51 29.183 24.829 24.829 332 1HA GLY 51 HA2 GLY 51 27.621 24.973 24.973 333 2HA GLY 51 HA1 GLY 51 29.347 24.774 24.774 334 H GLN 52 HN GLN 52 26.610 23.284 23.284 335 HA GLN 52 HA GLN 52 27.880 20.657 20.657 336 1HB GLN 52 HB2 GLN 52 27.020 21.704 21.704 337 2HB GLN 52 HB1 GLN 52 26.961 19.973 19.973 338 1HG GLN 52 HG2 GLN 52 29.325 19.935 19.935 339 2HG GLN 52 HG1 GLN 52 29.423 21.692 21.692 340 1HE2 GLN 52 HE22 GLN 52 29.547 19.428 19.428 341 2HE2 GLN 52 HE21 GLN 52 29.322 18.711 18.711 342 H THR 53 HN THR 53 26.449 19.484 19.484 343 HA THR 53 HA THR 53 23.587 20.160 20.160 344 HB THR 53 HB THR 53 25.400 18.956 18.956 345 HG1 THR 53 HG1 THR 53 22.604 19.332 19.332 346 1HG2 THR 53 HG22 THR 53 24.600 16.782 16.782 347 2HG2 THR 53 HG21 THR 53 22.977 17.203 17.203 348 3HG2 THR 53 HG23 THR 53 24.269 16.956 16.956 349 H GLY 54 HN GLY 54 21.997 18.272 18.272 350 1HA GLY 54 HA2 GLY 54 22.853 15.913 15.913 351 2HA GLY 54 HA1 GLY 54 22.301 17.131 17.131 352 H TYR 55 HN TYR 55 21.270 14.499 14.499 353 HA TYR 55 HA TYR 55 18.760 15.212 15.212 354 1HB TYR 55 HB2 TYR 55 19.692 12.687 12.687 355 2HB TYR 55 HB1 TYR 55 18.144 12.827 12.827 356 HD1 TYR 55 HD1 TYR 55 19.013 14.600 14.600 357 HD2 TYR 55 HD2 TYR 55 20.844 11.163 11.163 358 HE1 TYR 55 HE1 TYR 55 20.025 14.059 14.059 359 HE2 TYR 55 HE2 TYR 55 21.883 10.641 10.641 360 HH TYR 55 HH TYR 55 22.446 11.580 11.580 361 H ILE 56 HN ILE 56 17.799 16.791 16.791 362 HA ILE 56 HA ILE 56 17.224 16.018 16.018 363 HB ILE 56 HB ILE 56 16.186 18.231 18.231 364 1HG1 ILE 56 HG12 ILE 56 16.455 19.647 19.647 365 2HG1 ILE 56 HG11 ILE 56 16.388 18.069 18.069 366 1HG2 ILE 56 HG23 ILE 56 18.819 17.760 17.760 367 2HG2 ILE 56 HG22 ILE 56 18.572 18.820 18.820 368 3HG2 ILE 56 HG21 ILE 56 18.177 19.387 19.387 369 1HD1 ILE 56 HD11 ILE 56 14.336 18.147 18.147 370 2HD1 ILE 56 HD13 ILE 56 14.218 19.623 19.623 371 3HD1 ILE 56 HD12 ILE 56 14.151 18.050 18.050 372 HA PRO 57 HA PRO 57 13.397 14.047 14.047 373 1HB PRO 57 HB2 PRO 57 12.285 14.687 14.687 374 2HB PRO 57 HB1 PRO 57 13.014 13.160 13.160 375 1HG PRO 57 HG2 PRO 57 14.109 15.158 15.158 376 2HG PRO 57 HG1 PRO 57 14.798 13.592 13.592 377 1HD PRO 57 HD1 PRO 57 15.689 16.197 16.197 378 2HD PRO 57 HD2 PRO 57 16.338 14.619 14.619 379 H SER 58 HN SER 58 11.326 14.735 14.735 380 HA SER 58 HA SER 58 10.931 17.578 17.578 381 1HB SER 58 HB2 SER 58 8.896 16.949 16.949 382 2HB SER 58 HB1 SER 58 10.159 15.819 15.819 383 HG SER 58 HG SER 58 7.835 15.261 15.261 384 H ASN 59 HN ASN 59 9.796 15.171 15.171 385 HA ASN 59 HA ASN 59 7.665 16.845 16.845 386 1HB ASN 59 HB2 ASN 59 7.748 15.124 15.124 387 2HB ASN 59 HB1 ASN 59 7.400 14.487 14.487 388 1HD2 ASN 59 HD22 ASN 59 10.019 12.175 12.175 389 2HD2 ASN 59 HD21 ASN 59 8.356 12.391 12.391 390 H TYR 60 HN TYR 60 11.059 16.806 16.806 391 HA TYR 60 HA TYR 60 10.950 18.065 18.065 392 1HB TYR 60 HB2 TYR 60 13.182 16.972 16.972 393 2HB TYR 60 HB1 TYR 60 13.520 18.010 18.010 394 HD1 TYR 60 HD1 TYR 60 10.527 16.023 16.023 395 HD2 TYR 60 HD2 TYR 60 14.732 15.947 15.947 396 HE1 TYR 60 HE1 TYR 60 10.275 14.079 14.079 397 HE2 TYR 60 HE2 TYR 60 14.481 14.011 14.011 398 HH TYR 60 HH TYR 60 11.279 12.666 12.666 399 H VAL 61 HN VAL 61 10.184 19.259 19.259 400 HA VAL 61 HA VAL 61 11.401 21.883 21.883 401 HB VAL 61 HB VAL 61 13.102 21.204 21.204 402 1HG1 VAL 61 HG12 VAL 61 11.090 19.340 19.340 403 2HG1 VAL 61 HG11 VAL 61 11.846 20.113 20.113 404 3HG1 VAL 61 HG13 VAL 61 12.839 19.259 19.259 405 1HG2 VAL 61 HG21 VAL 61 10.962 22.355 22.355 406 2HG2 VAL 61 HG23 VAL 61 12.094 23.283 23.283 407 3HG2 VAL 61 HG22 VAL 61 12.685 22.310 22.310 408 H ALA 62 HN ALA 62 10.413 23.552 23.552 409 HA ALA 62 HA ALA 62 7.802 22.711 22.711 410 1HB ALA 62 HB1 ALA 62 8.131 24.126 24.126 411 2HB ALA 62 HB3 ALA 62 7.286 25.145 25.145 412 3HB ALA 62 HB2 ALA 62 6.645 23.554 23.554 413 HA PRO 63 HA PRO 63 9.088 25.494 25.494 414 1HB PRO 63 HB2 PRO 63 6.388 26.006 26.006 415 2HB PRO 63 HB1 PRO 63 7.551 24.898 24.898 416 1HG PRO 63 HG2 PRO 63 5.211 24.232 24.232 417 2HG PRO 63 HG1 PRO 63 6.363 23.123 23.123 418 1HD PRO 63 HD1 PRO 63 6.066 23.740 23.740 419 2HD PRO 63 HD2 PRO 63 7.212 22.614 22.614 420 H SER 64 HN SER 64 9.770 27.390 27.390 421 HA SER 64 HA SER 64 7.965 29.645 29.645 422 1HB SER 64 HB2 SER 64 7.777 28.081 28.081 423 2HB SER 64 HB1 SER 64 8.891 29.366 29.366 424 HG SER 64 HG SER 64 7.169 30.707 30.707 425 1H ALA 71 HT3 ALA 71 11.883 15.645 15.645 426 2H ALA 71 HT2 ALA 71 11.455 15.732 15.732 427 3H ALA 71 HT1 ALA 71 13.084 15.555 15.555 428 HA ALA 71 HA ALA 71 12.633 13.406 13.406 429 1HB ALA 71 HB3 ALA 71 10.177 14.118 14.118 430 2HB ALA 71 HB2 ALA 71 9.878 13.574 13.574 431 3HB ALA 71 HB1 ALA 71 10.477 12.437 12.437 432 H PHE 72 HN PHE 72 13.413 14.791 14.791 433 HA PHE 72 HA PHE 72 14.231 13.982 13.982 434 1HB PHE 72 HB2 PHE 72 13.870 11.659 11.659 435 2HB PHE 72 HB1 PHE 72 13.061 11.329 11.329 436 HD1 PHE 72 HD2 PHE 72 14.411 11.997 11.997 437 HD2 PHE 72 HD1 PHE 72 16.207 11.413 11.413 438 HE1 PHE 72 HE2 PHE 72 16.591 11.651 11.651 439 HE2 PHE 72 HE1 PHE 72 18.385 11.069 11.069 440 HZ PHE 72 HZ PHE 72 18.579 11.187 11.187 441 H ALA 73 HN ALA 73 13.334 14.019 14.019 442 HA ALA 73 HA ALA 73 10.539 14.683 14.683 443 1HB ALA 73 HB2 ALA 73 12.863 14.601 14.601 444 2HB ALA 73 HB1 ALA 73 11.429 13.981 13.981 445 3HB ALA 73 HB3 ALA 73 11.415 15.601 15.601 446 HA PRO 74 HA PRO 74 8.474 10.919 10.919 447 1HB PRO 74 HB2 PRO 74 7.580 11.438 11.438 448 2HB PRO 74 HB1 PRO 74 6.661 11.595 11.595 449 1HG PRO 74 HG2 PRO 74 7.688 13.712 13.712 450 2HG PRO 74 HG1 PRO 74 6.766 13.869 13.869 451 1HD PRO 74 HD1 PRO 74 9.573 14.393 14.393 452 2HD PRO 74 HD2 PRO 74 8.648 14.546 14.546 453 HA PRO 75 HA PRO 75 10.965 8.080 8.080 454 1HB PRO 75 HB2 PRO 75 8.809 6.607 6.607 455 2HB PRO 75 HB1 PRO 75 9.747 6.179 6.179 456 1HG PRO 75 HG2 PRO 75 7.013 7.098 7.098 457 2HG PRO 75 HG1 PRO 75 7.951 6.672 6.672 458 1HD PRO 75 HD1 PRO 75 7.158 9.303 9.303 459 2HD PRO 75 HD2 PRO 75 8.100 8.875 8.875 460 H LEU 76 HN LEU 76 12.020 8.371 8.371 461 HA LEU 76 HA LEU 76 10.679 9.821 9.821 462 1HB LEU 76 HB2 LEU 76 13.490 8.924 8.924 463 2HB LEU 76 HB1 LEU 76 13.044 9.370 9.370 464 HG LEU 76 HG LEU 76 12.230 11.215 11.215 465 1HD1 LEU 76 HD12 LEU 76 15.054 10.927 10.927 466 2HD1 LEU 76 HD11 LEU 76 14.473 12.338 12.338 467 3HD1 LEU 76 HD13 LEU 76 14.535 10.765 10.765 468 1HD2 LEU 76 HD22 LEU 76 12.448 11.202 11.202 469 2HD2 LEU 76 HD21 LEU 76 11.719 12.423 12.423 470 3HD2 LEU 76 HD23 LEU 76 13.439 12.503 12.503 471 HA PRO 77 HA PRO 77 9.467 6.334 6.334 472 1HB PRO 77 HB2 PRO 77 10.147 7.555 7.555 473 2HB PRO 77 HB1 PRO 77 8.550 7.421 7.421 474 1HG PRO 77 HG2 PRO 77 10.185 9.788 9.788 475 2HG PRO 77 HG1 PRO 77 8.583 9.656 9.656 476 1HD PRO 77 HD1 PRO 77 11.113 10.036 10.036 477 2HD PRO 77 HD2 PRO 77 9.505 9.902 9.902 478 H ARG 78 HN ARG 78 10.395 4.799 4.799 479 HA ARG 78 HA ARG 78 13.284 4.481 4.481 480 1HB ARG 78 HB2 ARG 78 11.061 2.756 2.756 481 2HB ARG 78 HB1 ARG 78 12.376 2.511 2.511 482 1HG ARG 78 HG2 ARG 78 13.527 2.752 2.752 483 2HG ARG 78 HG1 ARG 78 12.198 1.599 1.599 484 1HD ARG 78 HD2 ARG 78 13.644 0.079 0.079 485 2HD ARG 78 HD1 ARG 78 13.443 0.919 0.919 486 HE ARG 78 HE ARG 78 15.431 2.312 2.312 487 1HH1 ARG 78 HH21 ARG 78 14.837 -0.795 -0.795 488 2HH1 ARG 78 HH22 ARG 78 16.508 -1.110 -1.110 489 1HH2 ARG 78 HH11 ARG 78 17.612 1.910 1.910 490 2HH2 ARG 78 HH12 ARG 78 18.076 0.418 0.418 491 H ARG 79 HN ARG 79 13.230 6.705 6.705 492 HA ARG 79 HA ARG 79 13.942 7.739 7.739 493 1HB ARG 79 HB2 ARG 79 15.067 4.992 4.992 494 2HB ARG 79 HB1 ARG 79 15.027 5.861 5.861 495 1HG ARG 79 HG2 ARG 79 15.957 7.823 7.823 496 2HG ARG 79 HG1 ARG 79 16.617 6.410 6.410 497 1HD ARG 79 HD2 ARG 79 18.108 6.006 6.006 498 2HD ARG 79 HD1 ARG 79 16.909 6.297 6.297 499 HE ARG 79 HE ARG 79 17.651 8.538 8.538 500 1HH1 ARG 79 HH21 ARG 79 18.772 6.948 6.948 501 2HH1 ARG 79 HH22 ARG 79 19.828 8.241 8.241 502 1HH2 ARG 79 HH11 ARG 79 19.027 10.228 10.228 503 2HH2 ARG 79 HH12 ARG 79 19.973 10.095 10.095 Start of MODEL 15 1 1H THR 9 HT2 THR 9 11.540 29.160 29.160 2 2H THR 9 HT1 THR 9 12.870 29.743 29.743 3 3H THR 9 HT3 THR 9 12.507 28.083 28.083 4 HA THR 9 HA THR 9 14.316 28.305 28.305 5 HB THR 9 HB THR 9 13.293 30.106 30.106 6 HG1 THR 9 HG1 THR 9 12.600 31.735 31.735 7 1HG2 THR 9 HG21 THR 9 15.684 29.495 29.495 8 2HG2 THR 9 HG23 THR 9 15.510 30.589 30.589 9 3HG2 THR 9 HG22 THR 9 15.385 31.212 31.212 10 H PHE 10 HN PHE 10 14.407 27.267 27.267 11 HA PHE 10 HA PHE 10 11.735 26.424 26.424 12 1HB PHE 10 HB2 PHE 10 14.117 24.723 24.723 13 2HB PHE 10 HB1 PHE 10 12.946 24.177 24.177 14 HD1 PHE 10 HD2 PHE 10 12.922 25.770 25.770 15 HD2 PHE 10 HD1 PHE 10 11.168 22.887 22.887 16 HE1 PHE 10 HE2 PHE 10 11.400 25.071 25.071 17 HE2 PHE 10 HE1 PHE 10 9.649 22.191 22.191 18 HZ PHE 10 HZ PHE 10 9.763 23.283 23.283 19 H VAL 11 HN VAL 11 12.119 25.288 25.288 20 HA VAL 11 HA VAL 11 14.360 26.583 26.583 21 HB VAL 11 HB VAL 11 11.417 26.856 26.856 22 1HG1 VAL 11 HG13 VAL 11 13.881 27.269 27.269 23 2HG1 VAL 11 HG12 VAL 11 12.366 28.105 28.105 24 3HG1 VAL 11 HG11 VAL 11 12.431 26.343 26.343 25 1HG2 VAL 11 HG23 VAL 11 12.874 28.458 28.458 26 2HG2 VAL 11 HG22 VAL 11 11.699 29.115 29.115 27 3HG2 VAL 11 HG21 VAL 11 13.411 29.085 29.085 28 H ALA 12 HN ALA 12 15.223 25.218 25.218 29 HA ALA 12 HA ALA 12 14.334 22.485 22.485 30 1HB ALA 12 HB1 ALA 12 16.481 24.129 24.129 31 2HB ALA 12 HB3 ALA 12 15.948 22.804 22.804 32 3HB ALA 12 HB2 ALA 12 16.534 22.470 22.470 33 H LEU 13 HN LEU 13 12.192 22.379 22.379 34 HA LEU 13 HA LEU 13 11.219 23.795 23.795 35 1HB LEU 13 HB2 LEU 13 10.280 21.131 21.131 36 2HB LEU 13 HB1 LEU 13 9.381 22.175 22.175 37 HG LEU 13 HG LEU 13 10.107 22.696 22.696 38 1HD1 LEU 13 HD11 LEU 13 7.709 22.043 22.043 39 2HD1 LEU 13 HD13 LEU 13 7.488 23.441 23.441 40 3HD1 LEU 13 HD12 LEU 13 7.991 21.892 21.892 41 1HD2 LEU 13 HD23 LEU 13 9.431 24.625 24.625 42 2HD2 LEU 13 HD22 LEU 13 10.629 24.788 24.788 43 3HD2 LEU 13 HD21 LEU 13 8.912 24.964 24.964 44 H TYR 14 HN TYR 14 11.892 20.277 20.277 45 HA TYR 14 HA TYR 14 12.354 20.322 20.322 46 1HB TYR 14 HB2 TYR 14 12.304 17.888 17.888 47 2HB TYR 14 HB1 TYR 14 12.098 17.940 17.940 48 HD1 TYR 14 HD2 TYR 14 10.352 20.723 20.723 49 HD2 TYR 14 HD1 TYR 14 10.065 16.533 16.533 50 HE1 TYR 14 HE2 TYR 14 7.967 20.967 20.967 51 HE2 TYR 14 HE1 TYR 14 7.649 16.760 16.760 52 HH TYR 14 HH TYR 14 5.887 19.295 19.295 53 H ASP 15 HN ASP 15 14.181 18.861 18.861 54 HA ASP 15 HA ASP 15 16.655 19.714 19.714 55 1HB ASP 15 HB2 ASP 15 17.712 18.573 18.573 56 2HB ASP 15 HB1 ASP 15 16.540 19.802 19.802 57 H TYR 16 HN TYR 16 17.032 18.525 18.525 58 HA TYR 16 HA TYR 16 16.517 15.655 15.655 59 1HB TYR 16 HB2 TYR 16 16.291 17.005 17.005 60 2HB TYR 16 HB1 TYR 16 17.961 17.554 17.554 61 HD1 TYR 16 HD2 TYR 16 16.009 14.366 14.366 62 HD2 TYR 16 HD1 TYR 16 19.602 16.382 16.382 63 HE1 TYR 16 HE2 TYR 16 16.727 12.414 12.414 64 HE2 TYR 16 HE1 TYR 16 20.330 14.423 14.423 65 HH TYR 16 HH TYR 16 19.360 11.545 11.545 66 H GLU 17 HN GLU 17 17.850 14.233 14.233 67 HA GLU 17 HA GLU 17 20.727 14.950 14.950 68 1HB GLU 17 HB2 GLU 17 20.605 12.817 12.817 69 2HB GLU 17 HB1 GLU 17 19.931 14.337 14.337 70 1HG GLU 17 HG2 GLU 17 17.693 13.660 13.660 71 2HG GLU 17 HG1 GLU 17 18.313 12.210 12.210 72 H SER 18 HN SER 18 21.158 14.423 14.423 73 HA SER 18 HA SER 18 20.599 12.128 12.128 74 1HB SER 18 HB2 SER 18 23.109 12.374 12.374 75 2HB SER 18 HB1 SER 18 21.933 13.623 13.623 76 HG SER 18 HG SER 18 24.152 13.924 13.924 77 H ARG 19 HN ARG 19 21.159 9.982 9.982 78 HA ARG 19 HA ARG 19 23.103 9.199 9.199 79 1HB ARG 19 HB2 ARG 19 20.346 8.286 8.286 80 2HB ARG 19 HB1 ARG 19 21.510 6.998 6.998 81 1HG ARG 19 HG2 ARG 19 21.426 7.447 7.447 82 2HG ARG 19 HG1 ARG 19 21.977 9.094 9.094 83 1HD ARG 19 HD2 ARG 19 19.903 9.473 9.473 84 2HD ARG 19 HD1 ARG 19 19.475 9.499 9.499 85 HE ARG 19 HE ARG 19 19.271 6.831 6.831 86 1HH1 ARG 19 HH21 ARG 19 17.758 9.921 9.921 87 2HH1 ARG 19 HH22 ARG 19 16.156 9.297 9.297 88 1HH2 ARG 19 HH11 ARG 19 17.186 6.009 6.009 89 2HH2 ARG 19 HH12 ARG 19 15.831 7.086 7.086 90 H THR 20 HN THR 20 22.480 9.238 9.238 91 HA THR 20 HA THR 20 24.143 6.792 6.792 92 HB THR 20 HB THR 20 23.172 6.815 6.815 93 HG1 THR 20 HG1 THR 20 22.564 9.205 9.205 94 1HG2 THR 20 HG23 THR 20 22.176 5.559 5.559 95 2HG2 THR 20 HG22 THR 20 20.968 6.843 6.843 96 3HG2 THR 20 HG21 THR 20 21.104 5.827 5.827 97 H GLU 21 HN GLU 21 25.497 7.034 7.034 98 HA GLU 21 HA GLU 21 26.976 9.578 9.578 99 1HB GLU 21 HB2 GLU 21 28.498 8.351 8.351 100 2HB GLU 21 HB1 GLU 21 28.408 7.689 7.689 101 1HG GLU 21 HG2 GLU 21 26.366 6.678 6.678 102 2HG GLU 21 HG1 GLU 21 28.027 6.213 6.213 103 H THR 22 HN THR 22 24.324 9.648 9.648 104 HA THR 22 HA THR 22 25.120 10.487 10.487 105 HB THR 22 HB THR 22 22.315 9.605 9.605 106 HG1 THR 22 HG1 THR 22 23.230 7.497 7.497 107 1HG2 THR 22 HG22 THR 22 23.713 10.511 10.511 108 2HG2 THR 22 HG21 THR 22 23.595 8.768 8.768 109 3HG2 THR 22 HG23 THR 22 22.134 9.726 9.726 110 H ASP 23 HN ASP 23 23.802 11.410 11.410 111 HA ASP 23 HA ASP 23 22.963 14.002 14.002 112 1HB ASP 23 HB2 ASP 23 21.237 13.411 13.411 113 2HB ASP 23 HB1 ASP 23 20.793 13.758 13.758 114 H LEU 24 HN LEU 24 23.366 15.782 15.782 115 HA LEU 24 HA LEU 24 25.228 15.265 15.265 116 1HB LEU 24 HB2 LEU 24 24.310 17.691 17.691 117 2HB LEU 24 HB1 LEU 24 25.075 17.899 17.899 118 HG LEU 24 HG LEU 24 26.998 16.512 16.512 119 1HD1 LEU 24 HD12 LEU 24 25.161 16.214 16.214 120 2HD1 LEU 24 HD11 LEU 24 26.798 16.660 16.660 121 3HD1 LEU 24 HD13 LEU 24 26.529 15.207 15.207 122 1HD2 LEU 24 HD21 LEU 24 26.217 19.166 19.166 123 2HD2 LEU 24 HD23 LEU 24 27.778 18.604 18.604 124 3HD2 LEU 24 HD22 LEU 24 27.350 18.381 18.381 125 H SER 25 HN SER 25 24.748 17.078 17.078 126 HA SER 25 HA SER 25 21.996 16.387 16.387 127 1HB SER 25 HB2 SER 25 24.565 16.224 16.224 128 2HB SER 25 HB1 SER 25 23.596 17.411 17.411 129 HG SER 25 HG SER 25 22.767 14.789 14.789 130 H PHE 26 HN PHE 26 20.570 18.052 18.052 131 HA PHE 26 HA PHE 26 21.661 20.803 20.803 132 1HB PHE 26 HB2 PHE 26 20.088 21.697 21.697 133 2HB PHE 26 HB1 PHE 26 21.004 20.412 20.412 134 HD1 PHE 26 HD2 PHE 26 17.753 21.279 21.279 135 HD2 PHE 26 HD1 PHE 26 19.902 18.378 18.378 136 HE1 PHE 26 HE2 PHE 26 15.642 20.135 20.135 137 HE2 PHE 26 HE1 PHE 26 17.790 17.243 17.243 138 HZ PHE 26 HZ PHE 26 15.663 18.125 18.125 139 H LYS 27 HN LYS 27 20.721 21.804 21.804 140 HA LYS 27 HA LYS 27 18.319 20.548 20.548 141 1HB LYS 27 HB2 LYS 27 19.801 22.868 22.868 142 2HB LYS 27 HB1 LYS 27 18.946 21.554 21.554 143 1HG LYS 27 HG2 LYS 27 20.676 19.971 19.971 144 2HG LYS 27 HG1 LYS 27 21.483 21.178 21.178 145 1HD LYS 27 HD2 LYS 27 22.547 20.876 20.876 146 2HD LYS 27 HD1 LYS 27 22.005 22.526 22.526 147 1HE LYS 27 HE2 LYS 27 20.542 22.446 22.446 148 2HE LYS 27 HE1 LYS 27 19.886 20.904 20.904 149 1HZ LYS 27 HZ1 LYS 27 22.504 20.581 20.581 150 2HZ LYS 27 HZ3 LYS 27 21.497 21.330 21.330 151 3HZ LYS 27 HZ2 LYS 27 21.057 19.830 19.830 152 H LYS 28 HN LYS 28 16.742 22.230 22.230 153 HA LYS 28 HA LYS 28 15.589 23.766 23.766 154 1HB LYS 28 HB2 LYS 28 14.086 23.033 23.033 155 2HB LYS 28 HB1 LYS 28 15.105 23.651 23.651 156 1HG LYS 28 HG2 LYS 28 14.145 25.692 25.692 157 2HG LYS 28 HG1 LYS 28 14.350 25.763 25.763 158 1HD LYS 28 HD2 LYS 28 12.308 24.574 24.574 159 2HD LYS 28 HD1 LYS 28 12.175 24.127 24.127 160 1HE LYS 28 HE2 LYS 28 12.393 27.011 27.011 161 2HE LYS 28 HE1 LYS 28 11.019 26.365 26.365 162 1HZ LYS 28 HZ1 LYS 28 11.186 25.119 25.119 163 2HZ LYS 28 HZ3 LYS 28 11.196 26.805 26.805 164 3HZ LYS 28 HZ2 LYS 28 9.926 26.061 26.061 165 H GLY 29 HN GLY 29 15.863 25.916 25.916 166 1HA GLY 29 HA2 GLY 29 16.385 28.203 28.203 167 2HA GLY 29 HA1 GLY 29 17.907 27.422 27.422 168 H GLU 30 HN GLU 30 18.784 26.190 26.190 169 HA GLU 30 HA GLU 30 19.322 28.388 28.388 170 1HB GLU 30 HB2 GLU 30 21.048 27.043 27.043 171 2HB GLU 30 HB1 GLU 30 20.964 26.556 26.556 172 1HG GLU 30 HG2 GLU 30 19.532 25.104 25.104 173 2HG GLU 30 HG1 GLU 30 21.110 24.631 24.631 174 H ARG 31 HN ARG 31 18.715 28.467 28.467 175 HA ARG 31 HA ARG 31 16.255 27.015 27.015 176 1HB ARG 31 HB2 ARG 31 17.878 29.175 29.175 177 2HB ARG 31 HB1 ARG 31 16.614 28.331 28.331 178 1HG ARG 31 HG2 ARG 31 15.048 29.602 29.602 179 2HG ARG 31 HG1 ARG 31 15.581 29.032 29.032 180 1HD ARG 31 HD2 ARG 31 16.567 31.009 31.009 181 2HD ARG 31 HD1 ARG 31 17.473 30.947 30.947 182 HE ARG 31 HE ARG 31 14.720 31.694 31.694 183 1HH1 ARG 31 HH21 ARG 31 17.796 32.788 32.788 184 2HH1 ARG 31 HH22 ARG 31 17.507 34.441 34.441 185 1HH2 ARG 31 HH11 ARG 31 14.334 33.850 33.850 186 2HH2 ARG 31 HH12 ARG 31 15.552 35.042 35.042 187 H LEU 32 HN LEU 32 16.328 26.357 26.357 188 HA LEU 32 HA LEU 32 18.826 24.924 24.924 189 1HB LEU 32 HB2 LEU 32 16.312 23.579 23.579 190 2HB LEU 32 HB1 LEU 32 17.267 22.805 22.805 191 HG LEU 32 HG LEU 32 19.033 23.745 23.745 192 1HD1 LEU 32 HD13 LEU 32 16.501 23.000 23.000 193 2HD1 LEU 32 HD12 LEU 32 17.575 21.635 21.635 194 3HD1 LEU 32 HD11 LEU 32 17.991 23.238 23.238 195 1HD2 LEU 32 HD21 LEU 32 18.217 21.070 21.070 196 2HD2 LEU 32 HD23 LEU 32 19.710 21.968 21.968 197 3HD2 LEU 32 HD22 LEU 32 19.421 21.200 21.200 198 H GLN 33 HN GLN 33 19.116 25.163 25.163 199 HA GLN 33 HA GLN 33 16.852 26.006 26.006 200 1HB GLN 33 HB2 GLN 33 19.515 26.627 26.627 201 2HB GLN 33 HB1 GLN 33 19.439 25.393 25.393 202 1HG GLN 33 HG2 GLN 33 17.795 26.621 26.621 203 2HG GLN 33 HG1 GLN 33 17.505 27.718 27.718 204 1HE2 GLN 33 HE22 GLN 33 21.151 28.151 28.151 205 2HE2 GLN 33 HE21 GLN 33 20.561 26.588 26.588 206 H ILE 34 HN ILE 34 15.557 24.116 24.116 207 HA ILE 34 HA ILE 34 16.279 21.481 21.481 208 HB ILE 34 HB ILE 34 14.067 22.896 22.896 209 1HG1 ILE 34 HG12 ILE 34 13.875 23.403 23.403 210 2HG1 ILE 34 HG11 ILE 34 12.674 22.174 22.174 211 1HG2 ILE 34 HG21 ILE 34 14.777 20.040 20.040 212 2HG2 ILE 34 HG23 ILE 34 13.072 20.485 20.485 213 3HG2 ILE 34 HG22 ILE 34 14.108 20.750 20.750 214 1HD1 ILE 34 HD11 ILE 34 14.846 20.625 20.625 215 2HD1 ILE 34 HD13 ILE 34 15.057 21.988 21.988 216 3HD1 ILE 34 HD12 ILE 34 13.564 21.048 21.048 217 H VAL 35 HN VAL 35 16.645 20.176 20.176 218 HA VAL 35 HA VAL 35 17.844 21.718 21.718 219 HB VAL 35 HB VAL 35 18.448 18.924 18.924 220 1HG1 VAL 35 HG13 VAL 35 18.613 19.142 19.142 221 2HG1 VAL 35 HG12 VAL 35 19.733 20.487 20.487 222 3HG1 VAL 35 HG11 VAL 35 20.181 18.869 18.869 223 1HG2 VAL 35 HG22 VAL 35 19.303 20.941 20.941 224 2HG2 VAL 35 HG21 VAL 35 20.545 19.837 19.837 225 3HG2 VAL 35 HG23 VAL 35 20.247 21.358 21.358 226 H ASN 36 HN ASN 36 16.760 18.349 18.349 227 HA ASN 36 HA ASN 36 14.818 18.871 18.871 228 1HB ASN 36 HB2 ASN 36 17.157 17.119 17.119 229 2HB ASN 36 HB1 ASN 36 15.671 16.242 16.242 230 1HD2 ASN 36 HD22 ASN 36 15.745 17.430 17.430 231 2HD2 ASN 36 HD21 ASN 36 15.449 16.143 16.143 232 H ASN 37 HN ASN 37 13.722 16.343 16.343 233 HA ASN 37 HA ASN 37 12.181 14.920 14.920 234 1HB ASN 37 HB2 ASN 37 13.554 15.502 15.502 235 2HB ASN 37 HB1 ASN 37 12.777 14.010 14.010 236 1HD2 ASN 37 HD22 ASN 37 16.691 14.399 14.399 237 2HD2 ASN 37 HD21 ASN 37 15.794 15.329 15.329 238 H THR 38 HN THR 38 10.381 16.309 16.309 239 HA THR 38 HA THR 38 9.757 18.016 18.016 240 HB THR 38 HB THR 38 10.036 19.292 19.292 241 HG1 THR 38 HG1 THR 38 8.288 20.480 20.480 242 1HG2 THR 38 HG21 THR 38 8.064 17.241 17.241 243 2HG2 THR 38 HG23 THR 38 7.931 18.868 18.868 244 3HG2 THR 38 HG22 THR 38 9.425 17.953 17.953 245 H GLU 39 HN GLU 39 8.795 15.343 15.343 246 HA GLU 39 HA GLU 39 6.167 15.273 15.273 247 1HB GLU 39 HB2 GLU 39 6.886 14.810 14.810 248 2HB GLU 39 HB1 GLU 39 5.876 13.543 13.543 249 1HG GLU 39 HG2 GLU 39 4.545 15.647 15.647 250 2HG GLU 39 HG1 GLU 39 5.260 16.434 16.434 251 H GLY 40 HN GLY 40 9.193 13.793 13.793 252 1HA GLY 40 HA2 GLY 40 8.423 11.043 11.043 253 2HA GLY 40 HA1 GLY 40 10.042 11.705 11.705 254 H ASP 41 HN ASP 41 10.561 11.000 11.000 255 HA ASP 41 HA ASP 41 8.700 11.820 11.820 256 1HB ASP 41 HB2 ASP 41 10.311 9.285 9.285 257 2HB ASP 41 HB1 ASP 41 9.741 9.825 9.825 258 H TRP 42 HN TRP 42 12.096 10.823 10.823 259 HA TRP 42 HA TRP 42 12.942 12.720 12.720 260 1HB TRP 42 HB2 TRP 42 14.204 10.380 10.380 261 2HB TRP 42 HB1 TRP 42 15.249 11.609 11.609 262 HD1 TRP 42 HD1 TRP 42 12.728 8.863 8.863 263 HE1 TRP 42 HE1 TRP 42 12.903 8.613 8.613 264 HE3 TRP 42 HE3 TRP 42 15.690 12.716 12.716 265 HZ2 TRP 42 HZ2 TRP 42 14.218 9.975 9.975 266 HZ3 TRP 42 HZ3 TRP 42 16.429 13.277 13.277 267 HH2 TRP 42 HH2 TRP 42 15.694 11.906 11.906 268 H TRP 43 HN TRP 43 14.181 14.551 14.551 269 HA TRP 43 HA TRP 43 14.725 15.023 15.023 270 1HB TRP 43 HB2 TRP 43 14.044 17.124 17.124 271 2HB TRP 43 HB1 TRP 43 14.241 17.375 17.375 272 HD1 TRP 43 HD1 TRP 43 12.529 14.565 14.565 273 HE1 TRP 43 HE1 TRP 43 10.020 14.834 14.834 274 HE3 TRP 43 HE3 TRP 43 12.393 18.615 18.615 275 HZ2 TRP 43 HZ2 TRP 43 8.089 16.665 16.665 276 HZ3 TRP 43 HZ3 TRP 43 10.286 19.651 19.651 277 HH2 TRP 43 HH2 TRP 43 8.133 18.679 18.679 278 H LEU 44 HN LEU 44 16.457 16.791 16.791 279 HA LEU 44 HA LEU 44 18.563 16.468 16.468 280 1HB LEU 44 HB2 LEU 44 19.164 15.170 15.170 281 2HB LEU 44 HB1 LEU 44 18.910 16.590 16.590 282 HG LEU 44 HG LEU 44 20.662 17.396 17.396 283 1HD1 LEU 44 HD13 LEU 44 21.198 14.639 14.639 284 2HD1 LEU 44 HD12 LEU 44 22.550 15.704 15.704 285 3HD1 LEU 44 HD11 LEU 44 21.398 15.250 15.250 286 1HD2 LEU 44 HD23 LEU 44 20.444 17.450 17.450 287 2HD2 LEU 44 HD22 LEU 44 21.559 18.372 18.372 288 3HD2 LEU 44 HD21 LEU 44 22.042 16.801 16.801 289 H ALA 45 HN ALA 45 18.954 18.442 18.442 290 HA ALA 45 HA ALA 45 18.647 20.831 20.831 291 1HB ALA 45 HB2 ALA 45 17.031 20.330 20.330 292 2HB ALA 45 HB1 ALA 45 18.334 21.171 21.171 293 3HB ALA 45 HB3 ALA 45 17.481 21.966 21.966 294 H HIS 46 HN HIS 46 19.893 22.753 22.753 295 HA HIS 46 HA HIS 46 22.377 21.974 21.974 296 1HB HIS 46 HB2 HIS 46 23.136 21.760 21.760 297 2HB HIS 46 HB1 HIS 46 22.182 23.138 23.138 298 HD1 HIS 46 HD1 HIS 46 25.149 22.503 22.503 299 HD2 HIS 46 HD2 HIS 46 23.507 25.549 25.549 300 HE1 HIS 46 HE1 HIS 46 26.770 24.325 24.325 301 H SER 47 HN SER 47 22.429 23.393 23.393 302 HA SER 47 HA SER 47 20.976 25.883 25.883 303 1HB SER 47 HB2 SER 47 23.261 25.112 25.112 304 2HB SER 47 HB1 SER 47 21.968 26.263 26.263 305 HG SER 47 HG SER 47 21.313 23.631 23.631 306 H LEU 48 HN LEU 48 22.149 28.024 28.024 307 HA LEU 48 HA LEU 48 24.483 28.227 28.227 308 1HB LEU 48 HB2 LEU 48 22.509 30.384 30.384 309 2HB LEU 48 HB1 LEU 48 23.797 30.544 30.544 310 HG LEU 48 HG LEU 48 21.527 28.542 28.542 311 1HD1 LEU 48 HD12 LEU 48 21.015 31.101 31.101 312 2HD1 LEU 48 HD11 LEU 48 21.850 30.982 30.982 313 3HD1 LEU 48 HD13 LEU 48 20.402 30.020 30.020 314 1HD2 LEU 48 HD22 LEU 48 23.666 27.955 27.955 315 2HD2 LEU 48 HD21 LEU 48 22.337 28.233 28.233 316 3HD2 LEU 48 HD23 LEU 48 23.567 29.475 29.475 317 H THR 49 HN THR 49 23.157 29.372 29.372 318 HA THR 49 HA THR 49 25.120 31.109 31.109 319 HB THR 49 HB THR 49 23.732 28.900 28.900 320 HG1 THR 49 HG1 THR 49 22.831 31.122 31.122 321 1HG2 THR 49 HG21 THR 49 25.679 31.009 31.009 322 2HG2 THR 49 HG23 THR 49 24.355 30.580 30.580 323 3HG2 THR 49 HG22 THR 49 25.509 29.348 29.348 324 H THR 50 HN THR 50 25.336 27.821 27.821 325 HA THR 50 HA THR 50 28.280 28.010 28.010 326 HB THR 50 HB THR 50 27.837 25.591 25.591 327 HG1 THR 50 HG1 THR 50 25.955 25.825 25.825 328 1HG2 THR 50 HG21 THR 50 29.049 27.554 27.554 329 2HG2 THR 50 HG23 THR 50 27.494 28.222 28.222 330 3HG2 THR 50 HG22 THR 50 28.063 26.703 26.703 331 H GLY 51 HN GLY 51 25.646 26.516 26.516 332 1HA GLY 51 HA2 GLY 51 26.345 25.729 25.729 333 2HA GLY 51 HA1 GLY 51 27.585 24.790 24.790 334 H GLN 52 HN GLN 52 26.940 22.929 22.929 335 HA GLN 52 HA GLN 52 25.619 21.039 21.039 336 1HB GLN 52 HB2 GLN 52 23.906 23.361 23.361 337 2HB GLN 52 HB1 GLN 52 22.984 21.958 21.958 338 1HG GLN 52 HG2 GLN 52 23.281 22.147 22.147 339 2HG GLN 52 HG1 GLN 52 23.809 20.617 20.617 340 1HE2 GLN 52 HE22 GLN 52 26.533 23.099 23.099 341 2HE2 GLN 52 HE21 GLN 52 24.906 23.558 23.558 342 H THR 53 HN THR 53 25.067 19.429 19.429 343 HA THR 53 HA THR 53 23.287 19.904 19.904 344 HB THR 53 HB THR 53 26.106 20.243 20.243 345 HG1 THR 53 HG1 THR 53 24.109 19.939 19.939 346 1HG2 THR 53 HG21 THR 53 24.974 17.774 17.774 347 2HG2 THR 53 HG23 THR 53 26.405 18.625 18.625 348 3HG2 THR 53 HG22 THR 53 26.412 17.877 17.877 349 H GLY 54 HN GLY 54 22.063 18.072 18.072 350 1HA GLY 54 HA2 GLY 54 23.078 15.453 15.453 351 2HA GLY 54 HA1 GLY 54 22.811 15.708 15.708 352 H TYR 55 HN TYR 55 21.287 13.803 13.803 353 HA TYR 55 HA TYR 55 18.786 14.616 14.616 354 1HB TYR 55 HB2 TYR 55 19.938 12.115 12.115 355 2HB TYR 55 HB1 TYR 55 18.180 12.242 12.242 356 HD1 TYR 55 HD2 TYR 55 19.882 14.133 14.133 357 HD2 TYR 55 HD1 TYR 55 18.265 10.305 10.305 358 HE1 TYR 55 HE2 TYR 55 19.849 13.577 13.577 359 HE2 TYR 55 HE1 TYR 55 18.230 9.752 9.752 360 HH TYR 55 HH TYR 55 18.123 11.093 11.093 361 H ILE 56 HN ILE 56 17.636 16.104 16.104 362 HA ILE 56 HA ILE 56 17.375 15.639 15.639 363 HB ILE 56 HB ILE 56 16.359 17.861 17.861 364 1HG1 ILE 56 HG12 ILE 56 16.667 18.859 18.859 365 2HG1 ILE 56 HG11 ILE 56 15.920 17.277 17.277 366 1HG2 ILE 56 HG23 ILE 56 18.841 17.681 17.681 367 2HG2 ILE 56 HG22 ILE 56 18.760 17.825 17.825 368 3HG2 ILE 56 HG21 ILE 56 18.255 19.173 19.173 369 1HD1 ILE 56 HD11 ILE 56 14.425 18.144 18.144 370 2HD1 ILE 56 HD13 ILE 56 14.853 19.707 19.707 371 3HD1 ILE 56 HD12 ILE 56 14.011 18.507 18.507 372 HA PRO 57 HA PRO 57 13.504 13.597 13.597 373 1HB PRO 57 HB2 PRO 57 12.524 14.641 14.641 374 2HB PRO 57 HB1 PRO 57 13.190 13.036 13.036 375 1HG PRO 57 HG2 PRO 57 14.425 15.222 15.222 376 2HG PRO 57 HG1 PRO 57 15.069 13.600 13.600 377 1HD PRO 57 HD1 PRO 57 15.930 16.064 16.064 378 2HD PRO 57 HD2 PRO 57 16.539 14.425 14.425 379 H SER 58 HN SER 58 11.355 14.157 14.157 380 HA SER 58 HA SER 58 10.938 17.004 17.004 381 1HB SER 58 HB2 SER 58 9.603 16.226 16.226 382 2HB SER 58 HB1 SER 58 10.181 14.618 14.618 383 HG SER 58 HG SER 58 8.418 14.296 14.296 384 H ASN 59 HN ASN 59 10.680 15.473 15.473 385 HA ASN 59 HA ASN 59 8.056 16.727 16.727 386 1HB ASN 59 HB2 ASN 59 9.378 14.189 14.189 387 2HB ASN 59 HB1 ASN 59 8.424 15.062 15.062 388 1HD2 ASN 59 HD22 ASN 59 5.416 13.826 13.826 389 2HD2 ASN 59 HD21 ASN 59 6.282 14.381 14.381 390 H TYR 60 HN TYR 60 11.430 16.846 16.846 391 HA TYR 60 HA TYR 60 11.186 18.235 18.235 392 1HB TYR 60 HB2 TYR 60 13.533 17.159 17.159 393 2HB TYR 60 HB1 TYR 60 13.754 18.238 18.238 394 HD1 TYR 60 HD1 TYR 60 10.809 16.245 16.245 395 HD2 TYR 60 HD2 TYR 60 15.018 16.133 16.133 396 HE1 TYR 60 HE1 TYR 60 10.558 14.310 14.310 397 HE2 TYR 60 HE2 TYR 60 14.770 14.208 14.208 398 HH TYR 60 HH TYR 60 12.825 12.273 12.273 399 H VAL 61 HN VAL 61 10.818 19.061 19.061 400 HA VAL 61 HA VAL 61 11.892 21.802 21.802 401 HB VAL 61 HB VAL 61 13.379 20.452 20.452 402 1HG1 VAL 61 HG11 VAL 61 11.351 19.280 19.280 403 2HG1 VAL 61 HG13 VAL 61 11.137 20.756 20.756 404 3HG1 VAL 61 HG12 VAL 61 12.617 19.810 19.810 405 1HG2 VAL 61 HG21 VAL 61 12.905 23.035 23.035 406 2HG2 VAL 61 HG23 VAL 61 13.870 22.281 22.281 407 3HG2 VAL 61 HG22 VAL 61 12.171 22.653 22.653 408 H ALA 62 HN ALA 62 10.914 23.254 23.254 409 HA ALA 62 HA ALA 62 8.374 22.480 22.480 410 1HB ALA 62 HB1 ALA 62 8.408 23.978 23.978 411 2HB ALA 62 HB3 ALA 62 7.085 24.197 24.197 412 3HB ALA 62 HB2 ALA 62 7.410 22.602 22.602 413 HA PRO 63 HA PRO 63 9.438 25.927 25.927 414 1HB PRO 63 HB2 PRO 63 6.713 26.486 26.486 415 2HB PRO 63 HB1 PRO 63 7.913 25.603 25.603 416 1HG PRO 63 HG2 PRO 63 5.618 24.535 24.535 417 2HG PRO 63 HG1 PRO 63 6.789 23.660 23.660 418 1HD PRO 63 HD1 PRO 63 6.533 23.617 23.617 419 2HD PRO 63 HD2 PRO 63 7.730 22.765 22.765 420 H SER 64 HN SER 64 10.006 27.784 27.784 421 HA SER 64 HA SER 64 7.857 29.213 29.213 422 1HB SER 64 HB2 SER 64 10.268 28.348 28.348 423 2HB SER 64 HB1 SER 64 10.668 29.994 29.994 424 HG SER 64 HG SER 64 8.308 29.509 29.509 425 1H ALA 71 HT3 ALA 71 11.586 18.300 18.300 426 2H ALA 71 HT2 ALA 71 10.806 18.528 18.528 427 3H ALA 71 HT1 ALA 71 11.931 19.673 19.673 428 HA ALA 71 HA ALA 71 13.743 18.345 18.345 429 1HB ALA 71 HB1 ALA 71 11.578 17.813 17.813 430 2HB ALA 71 HB3 ALA 71 13.250 17.306 17.306 431 3HB ALA 71 HB2 ALA 71 12.863 19.018 19.018 432 H PHE 72 HN PHE 72 10.764 16.414 16.414 433 HA PHE 72 HA PHE 72 12.462 14.066 14.066 434 1HB PHE 72 HB2 PHE 72 9.999 14.242 14.242 435 2HB PHE 72 HB1 PHE 72 10.406 12.740 12.740 436 HD1 PHE 72 HD1 PHE 72 13.293 12.590 12.590 437 HD2 PHE 72 HD2 PHE 72 10.589 14.015 14.015 438 HE1 PHE 72 HE1 PHE 72 14.934 12.067 12.067 439 HE2 PHE 72 HE2 PHE 72 12.233 13.491 13.491 440 HZ PHE 72 HZ PHE 72 14.405 12.516 12.516 441 H ALA 73 HN ALA 73 12.002 15.298 15.298 442 HA ALA 73 HA ALA 73 9.444 15.355 15.355 443 1HB ALA 73 HB1 ALA 73 12.247 15.184 15.184 444 2HB ALA 73 HB3 ALA 73 10.951 14.806 14.806 445 3HB ALA 73 HB2 ALA 73 10.999 16.381 16.381 446 HA PRO 74 HA PRO 74 8.215 11.213 11.213 447 1HB PRO 74 HB2 PRO 74 7.456 11.553 11.553 448 2HB PRO 74 HB1 PRO 74 6.407 11.541 11.541 449 1HG PRO 74 HG2 PRO 74 7.157 13.809 13.809 450 2HG PRO 74 HG1 PRO 74 6.103 13.795 13.795 451 1HD PRO 74 HD1 PRO 74 8.790 14.828 14.828 452 2HD PRO 74 HD2 PRO 74 7.733 14.813 14.813 453 HA PRO 75 HA PRO 75 11.386 8.908 8.908 454 1HB PRO 75 HB2 PRO 75 9.658 7.042 7.042 455 2HB PRO 75 HB1 PRO 75 10.550 6.805 6.805 456 1HG PRO 75 HG2 PRO 75 7.704 7.177 7.177 457 2HG PRO 75 HG1 PRO 75 8.596 6.935 6.935 458 1HD PRO 75 HD1 PRO 75 7.376 9.366 9.366 459 2HD PRO 75 HD2 PRO 75 8.286 9.127 9.127 460 H LEU 76 HN LEU 76 12.273 8.343 8.343 461 HA LEU 76 HA LEU 76 11.372 10.263 10.263 462 1HB LEU 76 HB2 LEU 76 13.691 8.342 8.342 463 2HB LEU 76 HB1 LEU 76 13.334 9.180 9.180 464 HG LEU 76 HG LEU 76 13.729 10.583 10.583 465 1HD1 LEU 76 HD13 LEU 76 15.638 9.888 9.888 466 2HD1 LEU 76 HD12 LEU 76 15.905 11.315 11.315 467 3HD1 LEU 76 HD11 LEU 76 15.865 9.715 9.715 468 1HD2 LEU 76 HD21 LEU 76 12.492 11.462 11.462 469 2HD2 LEU 76 HD23 LEU 76 13.271 12.512 12.512 470 3HD2 LEU 76 HD22 LEU 76 14.153 11.998 11.998 471 HA PRO 77 HA PRO 77 8.857 7.560 7.560 472 1HB PRO 77 HB2 PRO 77 9.842 8.495 8.495 473 2HB PRO 77 HB1 PRO 77 8.345 8.956 8.956 474 1HG PRO 77 HG2 PRO 77 10.740 10.537 10.537 475 2HG PRO 77 HG1 PRO 77 9.242 11.001 11.001 476 1HD PRO 77 HD1 PRO 77 11.787 10.360 10.360 477 2HD PRO 77 HD2 PRO 77 10.283 10.827 10.827 478 H ARG 78 HN ARG 78 9.282 6.257 6.257 479 HA ARG 78 HA ARG 78 11.747 4.663 4.663 480 1HB ARG 78 HB2 ARG 78 10.624 2.817 2.817 481 2HB ARG 78 HB1 ARG 78 9.555 3.463 3.463 482 1HG ARG 78 HG2 ARG 78 8.660 4.984 4.984 483 2HG ARG 78 HG1 ARG 78 9.379 3.759 3.759 484 1HD ARG 78 HD2 ARG 78 7.156 3.446 3.446 485 2HD ARG 78 HD1 ARG 78 7.174 2.981 2.981 486 HE ARG 78 HE ARG 78 8.173 1.381 1.381 487 1HH1 ARG 78 HH21 ARG 78 8.494 2.183 2.183 488 2HH1 ARG 78 HH22 ARG 78 9.184 0.654 0.654 489 1HH2 ARG 78 HH11 ARG 78 9.073 -0.614 -0.614 490 2HH2 ARG 78 HH12 ARG 78 9.512 -0.926 -0.926 491 H ARG 79 HN ARG 79 13.022 3.965 3.965 492 HA ARG 79 HA ARG 79 12.717 5.792 5.792 493 1HB ARG 79 HB2 ARG 79 15.298 4.401 4.401 494 2HB ARG 79 HB1 ARG 79 15.032 5.957 5.957 495 1HG ARG 79 HG2 ARG 79 13.942 6.430 6.430 496 2HG ARG 79 HG1 ARG 79 15.238 5.310 5.310 497 1HD ARG 79 HD2 ARG 79 16.835 6.741 6.741 498 2HD ARG 79 HD1 ARG 79 15.528 7.887 7.887 499 HE ARG 79 HE ARG 79 15.646 7.479 7.479 500 1HH1 ARG 79 HH21 ARG 79 17.578 8.693 8.693 501 2HH1 ARG 79 HH22 ARG 79 18.423 9.833 9.833 502 1HH2 ARG 79 HH11 ARG 79 16.745 8.962 8.962 503 2HH2 ARG 79 HH12 ARG 79 17.953 9.985 9.985 Start of MODEL 16 1 1H THR 9 HT3 THR 9 12.700 30.735 30.735 2 2H THR 9 HT2 THR 9 13.766 30.607 30.607 3 3H THR 9 HT1 THR 9 12.430 29.564 29.564 4 HA THR 9 HA THR 9 14.444 28.403 28.403 5 HB THR 9 HB THR 9 14.753 30.012 30.012 6 HG1 THR 9 HG1 THR 9 15.621 31.716 31.716 7 1HG2 THR 9 HG21 THR 9 16.112 27.971 27.971 8 2HG2 THR 9 HG23 THR 9 16.935 29.243 29.243 9 3HG2 THR 9 HG22 THR 9 16.943 29.267 29.267 10 H PHE 10 HN PHE 10 14.438 26.889 26.889 11 HA PHE 10 HA PHE 10 11.719 26.789 26.789 12 1HB PHE 10 HB2 PHE 10 13.724 24.707 24.707 13 2HB PHE 10 HB1 PHE 10 12.588 24.340 24.340 14 HD1 PHE 10 HD1 PHE 10 11.976 26.516 26.516 15 HD2 PHE 10 HD2 PHE 10 11.120 22.790 22.790 16 HE1 PHE 10 HE1 PHE 10 10.218 26.079 26.079 17 HE2 PHE 10 HE2 PHE 10 9.361 22.360 22.360 18 HZ PHE 10 HZ PHE 10 8.910 24.001 24.001 19 H VAL 11 HN VAL 11 11.667 25.859 25.859 20 HA VAL 11 HA VAL 11 14.117 26.606 26.606 21 HB VAL 11 HB VAL 11 11.287 27.094 27.094 22 1HG1 VAL 11 HG11 VAL 11 13.777 27.071 27.071 23 2HG1 VAL 11 HG13 VAL 11 13.422 28.780 28.780 24 3HG1 VAL 11 HG12 VAL 11 12.280 27.765 27.765 25 1HG2 VAL 11 HG23 VAL 11 11.813 28.425 28.425 26 2HG2 VAL 11 HG22 VAL 11 11.575 29.426 29.426 27 3HG2 VAL 11 HG21 VAL 11 13.205 29.102 29.102 28 H ALA 12 HN ALA 12 14.684 25.132 25.132 29 HA ALA 12 HA ALA 12 13.458 22.528 22.528 30 1HB ALA 12 HB1 ALA 12 15.457 23.813 23.813 31 2HB ALA 12 HB3 ALA 12 14.954 22.128 22.128 32 3HB ALA 12 HB2 ALA 12 15.793 22.687 22.687 33 H LEU 13 HN LEU 13 11.619 21.941 21.941 34 HA LEU 13 HA LEU 13 10.644 23.632 23.632 35 1HB LEU 13 HB2 LEU 13 9.189 21.596 21.596 36 2HB LEU 13 HB1 LEU 13 8.454 22.569 22.569 37 HG LEU 13 HG LEU 13 9.958 24.223 24.223 38 1HD1 LEU 13 HD13 LEU 13 9.084 22.178 22.178 39 2HD1 LEU 13 HD12 LEU 13 7.517 22.966 22.966 40 3HD1 LEU 13 HD11 LEU 13 8.843 23.817 23.817 41 1HD2 LEU 13 HD23 LEU 13 8.069 24.749 24.749 42 2HD2 LEU 13 HD22 LEU 13 8.057 25.598 25.598 43 3HD2 LEU 13 HD21 LEU 13 6.978 24.229 24.229 44 H TYR 14 HN TYR 14 12.068 20.598 20.598 45 HA TYR 14 HA TYR 14 11.387 19.714 19.714 46 1HB TYR 14 HB2 TYR 14 11.499 17.974 17.974 47 2HB TYR 14 HB1 TYR 14 11.279 17.384 17.384 48 HD1 TYR 14 HD2 TYR 14 9.857 20.002 20.002 49 HD2 TYR 14 HD1 TYR 14 9.076 17.095 17.095 50 HE1 TYR 14 HE2 TYR 14 7.474 20.546 20.546 51 HE2 TYR 14 HE1 TYR 14 6.676 17.606 17.606 52 HH TYR 14 HH TYR 14 5.284 19.307 19.307 53 H ASP 15 HN ASP 15 13.159 19.102 19.102 54 HA ASP 15 HA ASP 15 15.800 19.592 19.592 55 1HB ASP 15 HB2 ASP 15 14.621 18.947 18.947 56 2HB ASP 15 HB1 ASP 15 15.656 17.559 17.559 57 H TYR 16 HN TYR 16 16.151 18.487 18.487 58 HA TYR 16 HA TYR 16 15.768 15.590 15.590 59 1HB TYR 16 HB2 TYR 16 15.464 16.901 16.901 60 2HB TYR 16 HB1 TYR 16 17.089 17.572 17.572 61 HD1 TYR 16 HD1 TYR 16 15.877 14.068 14.068 62 HD2 TYR 16 HD2 TYR 16 18.317 16.687 16.687 63 HE1 TYR 16 HE1 TYR 16 16.780 12.150 12.150 64 HE2 TYR 16 HE2 TYR 16 19.213 14.770 14.770 65 HH TYR 16 HH TYR 16 19.458 12.471 12.471 66 H GLU 17 HN GLU 17 17.144 14.582 14.582 67 HA GLU 17 HA GLU 17 20.012 15.314 15.314 68 1HB GLU 17 HB2 GLU 17 18.176 14.082 14.082 69 2HB GLU 17 HB1 GLU 17 19.588 13.053 13.053 70 1HG GLU 17 HG2 GLU 17 20.898 14.468 14.468 71 2HG GLU 17 HG1 GLU 17 20.362 15.844 15.844 72 H SER 18 HN SER 18 20.058 14.523 14.523 73 HA SER 18 HA SER 18 19.649 11.953 11.953 74 1HB SER 18 HB2 SER 18 22.073 12.462 12.462 75 2HB SER 18 HB1 SER 18 20.563 13.175 13.175 76 HG SER 18 HG SER 18 22.535 14.283 14.283 77 H ARG 19 HN ARG 19 20.952 10.024 10.024 78 HA ARG 19 HA ARG 19 22.808 9.806 9.806 79 1HB ARG 19 HB2 ARG 19 21.259 7.596 7.596 80 2HB ARG 19 HB1 ARG 19 22.215 7.445 7.445 81 1HG ARG 19 HG2 ARG 19 20.125 7.741 7.741 82 2HG ARG 19 HG1 ARG 19 20.612 9.430 9.430 83 1HD ARG 19 HD2 ARG 19 19.091 9.853 9.853 84 2HD ARG 19 HD1 ARG 19 19.357 8.294 8.294 85 HE ARG 19 HE ARG 19 17.257 8.886 8.886 86 1HH1 ARG 19 HH21 ARG 19 19.516 6.490 6.490 87 2HH1 ARG 19 HH22 ARG 19 18.538 5.158 5.158 88 1HH2 ARG 19 HH11 ARG 19 15.973 7.156 7.156 89 2HH2 ARG 19 HH12 ARG 19 16.535 5.534 5.534 90 H THR 20 HN THR 20 22.684 9.855 9.855 91 HA THR 20 HA THR 20 25.161 8.204 8.204 92 HB THR 20 HB THR 20 24.679 8.144 8.144 93 HG1 THR 20 HG1 THR 20 22.985 9.225 9.225 94 1HG2 THR 20 HG22 THR 20 23.088 6.998 6.998 95 2HG2 THR 20 HG21 THR 20 22.029 7.370 7.370 96 3HG2 THR 20 HG23 THR 20 23.438 6.337 6.337 97 H GLU 21 HN GLU 21 26.830 9.104 9.104 98 HA GLU 21 HA GLU 21 27.206 11.979 11.979 99 1HB GLU 21 HB2 GLU 21 28.943 9.706 9.706 100 2HB GLU 21 HB1 GLU 21 29.427 11.323 11.323 101 1HG GLU 21 HG2 GLU 21 28.728 11.712 11.712 102 2HG GLU 21 HG1 GLU 21 29.479 10.116 10.116 103 H THR 22 HN THR 22 25.297 10.751 10.751 104 HA THR 22 HA THR 22 26.411 12.154 12.154 105 HB THR 22 HB THR 22 24.151 10.138 10.138 106 HG1 THR 22 HG1 THR 22 26.022 9.057 9.057 107 1HG2 THR 22 HG22 THR 22 25.528 11.446 11.446 108 2HG2 THR 22 HG21 THR 22 24.371 10.119 10.119 109 3HG2 THR 22 HG23 THR 22 23.855 11.688 11.688 110 H ASP 23 HN ASP 23 24.164 12.481 12.481 111 HA ASP 23 HA ASP 23 22.557 14.419 14.419 112 1HB ASP 23 HB2 ASP 23 21.626 13.472 13.472 113 2HB ASP 23 HB1 ASP 23 20.682 13.904 13.904 114 H LEU 24 HN LEU 24 22.263 16.519 16.519 115 HA LEU 24 HA LEU 24 24.309 17.329 17.329 116 1HB LEU 24 HB2 LEU 24 22.509 18.802 18.802 117 2HB LEU 24 HB1 LEU 24 23.330 19.663 19.663 118 HG LEU 24 HG LEU 24 24.880 17.805 17.805 119 1HD1 LEU 24 HD13 LEU 24 23.593 19.392 19.392 120 2HD1 LEU 24 HD12 LEU 24 24.331 20.732 20.732 121 3HD1 LEU 24 HD11 LEU 24 25.337 19.643 19.643 122 1HD2 LEU 24 HD23 LEU 24 25.401 19.738 19.738 123 2HD2 LEU 24 HD22 LEU 24 26.485 18.538 18.538 124 3HD2 LEU 24 HD21 LEU 24 26.315 20.122 20.122 125 H SER 25 HN SER 25 23.356 16.480 16.480 126 HA SER 25 HA SER 25 20.748 16.692 16.692 127 1HB SER 25 HB2 SER 25 22.619 17.497 17.497 128 2HB SER 25 HB1 SER 25 21.642 16.034 16.034 129 HG SER 25 HG SER 25 24.246 16.526 16.526 130 H PHE 26 HN PHE 26 19.401 18.359 18.359 131 HA PHE 26 HA PHE 26 20.615 21.041 21.041 132 1HB PHE 26 HB2 PHE 26 18.821 22.066 22.066 133 2HB PHE 26 HB1 PHE 26 19.872 21.019 21.019 134 HD1 PHE 26 HD2 PHE 26 16.587 21.228 21.228 135 HD2 PHE 26 HD1 PHE 26 18.994 19.028 19.028 136 HE1 PHE 26 HE2 PHE 26 14.624 19.902 19.902 137 HE2 PHE 26 HE1 PHE 26 17.032 17.707 17.707 138 HZ PHE 26 HZ PHE 26 14.845 18.142 18.142 139 H LYS 27 HN LYS 27 19.683 22.095 22.095 140 HA LYS 27 HA LYS 27 17.521 20.699 20.699 141 1HB LYS 27 HB2 LYS 27 19.008 23.236 23.236 142 2HB LYS 27 HB1 LYS 27 17.991 22.268 22.268 143 1HG LYS 27 HG2 LYS 27 19.844 21.104 21.104 144 2HG LYS 27 HG1 LYS 27 19.823 20.444 20.444 145 1HD LYS 27 HD2 LYS 27 21.850 21.436 21.436 146 2HD LYS 27 HD1 LYS 27 20.941 22.940 22.940 147 1HE LYS 27 HE2 LYS 27 21.246 23.475 23.475 148 2HE LYS 27 HE1 LYS 27 21.751 21.833 21.833 149 1HZ LYS 27 HZ1 LYS 27 23.537 22.539 22.539 150 2HZ LYS 27 HZ3 LYS 27 23.286 24.020 24.020 151 3HZ LYS 27 HZ2 LYS 27 23.800 22.662 22.662 152 H LYS 28 HN LYS 28 15.910 22.439 22.439 153 HA LYS 28 HA LYS 28 14.410 23.555 23.555 154 1HB LYS 28 HB2 LYS 28 13.135 22.629 22.629 155 2HB LYS 28 HB1 LYS 28 13.996 23.609 23.609 156 1HG LYS 28 HG2 LYS 28 12.998 25.632 25.632 157 2HG LYS 28 HG1 LYS 28 12.345 24.808 24.808 158 1HD LYS 28 HD2 LYS 28 10.589 23.923 23.923 159 2HD LYS 28 HD1 LYS 28 11.552 23.671 23.671 160 1HE LYS 28 HE2 LYS 28 11.476 26.430 26.430 161 2HE LYS 28 HE1 LYS 28 9.863 25.949 25.949 162 1HZ LYS 28 HZ3 LYS 28 10.855 24.558 24.558 163 2HZ LYS 28 HZ2 LYS 28 10.587 26.220 26.220 164 3HZ LYS 28 HZ1 LYS 28 9.321 25.219 25.219 165 H GLY 29 HN GLY 29 14.360 25.679 25.679 166 1HA GLY 29 HA2 GLY 29 14.505 28.085 28.085 167 2HA GLY 29 HA1 GLY 29 15.805 27.671 27.671 168 H GLU 30 HN GLU 30 17.014 25.778 25.778 169 HA GLU 30 HA GLU 30 18.592 27.773 27.773 170 1HB GLU 30 HB2 GLU 30 19.527 25.672 25.672 171 2HB GLU 30 HB1 GLU 30 18.832 24.766 24.766 172 1HG GLU 30 HG2 GLU 30 20.126 26.791 26.791 173 2HG GLU 30 HG1 GLU 30 21.197 26.529 26.529 174 H ARG 31 HN ARG 31 18.313 28.289 28.289 175 HA ARG 31 HA ARG 31 16.158 26.898 26.898 176 1HB ARG 31 HB2 ARG 31 17.748 29.380 29.380 177 2HB ARG 31 HB1 ARG 31 16.325 28.776 28.776 178 1HG ARG 31 HG2 ARG 31 15.215 30.216 30.216 179 2HG ARG 31 HG1 ARG 31 15.365 28.894 28.894 180 1HD ARG 31 HD2 ARG 31 16.720 30.126 30.126 181 2HD ARG 31 HD1 ARG 31 17.791 30.473 30.473 182 HE ARG 31 HE ARG 31 16.770 32.585 32.585 183 1HH1 ARG 31 HH21 ARG 31 14.758 30.329 30.329 184 2HH1 ARG 31 HH22 ARG 31 13.548 31.503 31.503 185 1HH2 ARG 31 HH11 ARG 31 15.198 34.123 34.123 186 2HH2 ARG 31 HH12 ARG 31 13.797 33.649 33.649 187 H LEU 32 HN LEU 32 16.537 26.090 26.090 188 HA LEU 32 HA LEU 32 19.373 25.781 25.781 189 1HB LEU 32 HB2 LEU 32 17.549 23.374 23.374 190 2HB LEU 32 HB1 LEU 32 19.293 23.405 23.405 191 HG LEU 32 HG LEU 32 19.292 24.610 24.610 192 1HD1 LEU 32 HD12 LEU 32 16.642 24.383 24.383 193 2HD1 LEU 32 HD11 LEU 32 16.973 22.785 22.785 194 3HD1 LEU 32 HD13 LEU 32 17.465 24.229 24.229 195 1HD2 LEU 32 HD22 LEU 32 19.980 22.145 22.145 196 2HD2 LEU 32 HD21 LEU 32 20.100 22.625 22.625 197 3HD2 LEU 32 HD23 LEU 32 18.701 21.709 21.709 198 H GLN 33 HN GLN 33 19.583 25.223 25.223 199 HA GLN 33 HA GLN 33 17.327 26.174 26.174 200 1HB GLN 33 HB2 GLN 33 19.685 26.777 26.777 201 2HB GLN 33 HB1 GLN 33 20.015 25.078 25.078 202 1HG GLN 33 HG2 GLN 33 18.960 25.157 25.157 203 2HG GLN 33 HG1 GLN 33 17.638 26.141 26.141 204 1HE2 GLN 33 HE22 GLN 33 20.102 28.030 28.030 205 2HE2 GLN 33 HE21 GLN 33 19.572 26.421 26.421 206 H ILE 34 HN ILE 34 15.828 24.851 24.851 207 HA ILE 34 HA ILE 34 16.196 21.931 21.931 208 HB ILE 34 HB ILE 34 13.858 23.670 23.670 209 1HG1 ILE 34 HG12 ILE 34 14.434 23.507 23.507 210 2HG1 ILE 34 HG11 ILE 34 12.868 22.786 22.786 211 1HG2 ILE 34 HG22 ILE 34 14.210 20.668 20.668 212 2HG2 ILE 34 HG21 ILE 34 12.618 21.412 21.412 213 3HG2 ILE 34 HG23 ILE 34 13.607 21.729 21.729 214 1HD1 ILE 34 HD11 ILE 34 14.950 20.814 20.814 215 2HD1 ILE 34 HD13 ILE 34 15.070 21.544 21.544 216 3HD1 ILE 34 HD12 ILE 34 13.563 20.782 20.782 217 H VAL 35 HN VAL 35 16.723 20.639 20.639 218 HA VAL 35 HA VAL 35 16.944 21.928 21.928 219 HB VAL 35 HB VAL 35 18.152 19.269 19.269 220 1HG1 VAL 35 HG11 VAL 35 18.747 21.474 21.474 221 2HG1 VAL 35 HG13 VAL 35 19.890 20.176 20.176 222 3HG1 VAL 35 HG12 VAL 35 18.307 19.801 19.801 223 1HG2 VAL 35 HG21 VAL 35 18.869 21.955 21.955 224 2HG2 VAL 35 HG23 VAL 35 19.269 20.364 20.364 225 3HG2 VAL 35 HG22 VAL 35 20.212 21.036 21.036 226 H ASN 36 HN ASN 36 15.523 19.231 19.231 227 HA ASN 36 HA ASN 36 14.127 18.413 18.413 228 1HB ASN 36 HB2 ASN 36 15.621 16.831 16.831 229 2HB ASN 36 HB1 ASN 36 13.987 16.571 16.571 230 1HD2 ASN 36 HD22 ASN 36 13.918 14.090 14.090 231 2HD2 ASN 36 HD21 ASN 36 14.174 14.324 14.324 232 H ASN 37 HN ASN 37 11.869 17.371 17.371 233 HA ASN 37 HA ASN 37 10.520 18.255 18.255 234 1HB ASN 37 HB2 ASN 37 9.034 19.886 19.886 235 2HB ASN 37 HB1 ASN 37 10.301 20.449 20.449 236 1HD2 ASN 37 HD22 ASN 37 12.400 21.501 21.501 237 2HD2 ASN 37 HD21 ASN 37 12.102 21.462 21.462 238 H THR 38 HN THR 38 9.136 18.582 18.582 239 HA THR 38 HA THR 38 6.855 17.083 17.083 240 HB THR 38 HB THR 38 6.899 18.010 18.010 241 HG1 THR 38 HG1 THR 38 6.768 16.351 16.351 242 1HG2 THR 38 HG21 THR 38 9.790 17.302 17.302 243 2HG2 THR 38 HG23 THR 38 9.067 17.442 17.442 244 3HG2 THR 38 HG22 THR 38 9.024 18.811 18.811 245 H GLU 39 HN GLU 39 9.221 15.462 15.462 246 HA GLU 39 HA GLU 39 8.511 12.893 12.893 247 1HB GLU 39 HB2 GLU 39 10.516 13.675 13.675 248 2HB GLU 39 HB1 GLU 39 10.150 12.017 12.017 249 1HG GLU 39 HG2 GLU 39 7.641 12.914 12.914 250 2HG GLU 39 HG1 GLU 39 8.510 13.959 13.959 251 H GLY 40 HN GLY 40 10.450 11.369 11.369 252 1HA GLY 40 HA2 GLY 40 12.539 11.001 11.001 253 2HA GLY 40 HA1 GLY 40 12.756 12.746 12.746 254 H ASP 41 HN ASP 41 11.446 9.920 9.920 255 HA ASP 41 HA ASP 41 9.777 10.965 10.965 256 1HB ASP 41 HB2 ASP 41 11.141 8.560 8.560 257 2HB ASP 41 HB1 ASP 41 11.754 9.163 9.163 258 H TRP 42 HN TRP 42 13.336 10.683 10.683 259 HA TRP 42 HA TRP 42 13.279 12.646 12.646 260 1HB TRP 42 HB2 TRP 42 15.268 10.692 10.692 261 2HB TRP 42 HB1 TRP 42 15.888 12.119 12.119 262 HD1 TRP 42 HD1 TRP 42 13.432 9.149 9.149 263 HE1 TRP 42 HE1 TRP 42 13.437 8.830 8.830 264 HE3 TRP 42 HE3 TRP 42 16.345 12.952 12.952 265 HZ2 TRP 42 HZ2 TRP 42 14.616 10.116 10.116 266 HZ3 TRP 42 HZ3 TRP 42 16.939 13.444 13.444 267 HH2 TRP 42 HH2 TRP 42 16.076 12.026 12.026 268 H TRP 43 HN TRP 43 13.894 14.768 14.768 269 HA TRP 43 HA TRP 43 14.566 15.594 15.594 270 1HB TRP 43 HB2 TRP 43 13.943 17.214 17.214 271 2HB TRP 43 HB1 TRP 43 14.249 17.900 17.900 272 HD1 TRP 43 HD1 TRP 43 12.555 15.178 15.178 273 HE1 TRP 43 HE1 TRP 43 10.054 15.540 15.540 274 HE3 TRP 43 HE3 TRP 43 12.287 18.888 18.888 275 HZ2 TRP 43 HZ2 TRP 43 8.071 17.290 17.290 276 HZ3 TRP 43 HZ3 TRP 43 10.154 19.937 19.937 277 HH2 TRP 43 HH2 TRP 43 8.046 19.134 19.134 278 H LEU 44 HN LEU 44 16.263 17.370 17.370 279 HA LEU 44 HA LEU 44 18.632 16.595 16.595 280 1HB LEU 44 HB2 LEU 44 18.578 16.342 16.342 281 2HB LEU 44 HB1 LEU 44 18.783 18.093 18.093 282 HG LEU 44 HG LEU 44 20.732 17.626 17.626 283 1HD1 LEU 44 HD13 LEU 44 19.954 15.148 15.148 284 2HD1 LEU 44 HD12 LEU 44 20.782 14.984 14.984 285 3HD1 LEU 44 HD11 LEU 44 21.684 15.473 15.473 286 1HD2 LEU 44 HD21 LEU 44 20.662 17.205 17.205 287 2HD2 LEU 44 HD23 LEU 44 21.415 18.504 18.504 288 3HD2 LEU 44 HD22 LEU 44 22.172 16.913 16.913 289 H ALA 45 HN ALA 45 20.075 18.403 18.403 290 HA ALA 45 HA ALA 45 18.738 21.062 21.062 291 1HB ALA 45 HB1 ALA 45 19.570 19.512 19.512 292 2HB ALA 45 HB3 ALA 45 19.635 21.274 21.274 293 3HB ALA 45 HB2 ALA 45 18.104 20.454 20.454 294 H HIS 46 HN HIS 46 20.209 22.850 22.850 295 HA HIS 46 HA HIS 46 23.101 22.147 22.147 296 1HB HIS 46 HB2 HIS 46 22.699 22.664 22.664 297 2HB HIS 46 HB1 HIS 46 21.405 23.795 23.795 298 HD1 HIS 46 HD1 HIS 46 25.050 23.671 23.671 299 HD2 HIS 46 HD2 HIS 46 22.252 26.414 26.414 300 HE1 HIS 46 HE1 HIS 46 26.214 25.818 25.818 301 H SER 47 HN SER 47 24.084 23.092 23.092 302 HA SER 47 HA SER 47 22.917 25.029 25.029 303 1HB SER 47 HB2 SER 47 25.774 24.209 24.209 304 2HB SER 47 HB1 SER 47 25.392 25.494 25.494 305 HG SER 47 HG SER 47 25.352 23.677 23.677 306 H LEU 48 HN LEU 48 23.486 27.325 27.325 307 HA LEU 48 HA LEU 48 24.047 28.588 28.588 308 1HB LEU 48 HB2 LEU 48 22.421 29.425 29.425 309 2HB LEU 48 HB1 LEU 48 23.034 30.641 30.641 310 HG LEU 48 HG LEU 48 21.315 28.250 28.250 311 1HD1 LEU 48 HD11 LEU 48 20.447 30.512 30.512 312 2HD1 LEU 48 HD13 LEU 48 20.485 31.067 31.067 313 3HD1 LEU 48 HD12 LEU 48 19.507 29.668 29.668 314 1HD2 LEU 48 HD22 LEU 48 22.665 30.409 30.409 315 2HD2 LEU 48 HD21 LEU 48 22.727 28.662 28.662 316 3HD2 LEU 48 HD23 LEU 48 21.248 29.549 29.549 317 H THR 49 HN THR 49 25.955 27.629 27.629 318 HA THR 49 HA THR 49 27.251 30.240 30.240 319 HB THR 49 HB THR 49 27.669 27.456 27.456 320 HG1 THR 49 HG1 THR 49 27.096 28.823 28.823 321 1HG2 THR 49 HG23 THR 49 29.378 29.851 29.851 322 2HG2 THR 49 HG22 THR 49 29.055 29.186 29.186 323 3HG2 THR 49 HG21 THR 49 29.787 28.173 28.173 324 H THR 50 HN THR 50 28.766 27.056 27.056 325 HA THR 50 HA THR 50 30.759 28.310 28.310 326 HB THR 50 HB THR 50 30.559 25.576 25.576 327 HG1 THR 50 HG1 THR 50 31.418 26.809 26.809 328 1HG2 THR 50 HG23 THR 50 32.124 26.489 26.489 329 2HG2 THR 50 HG22 THR 50 33.121 25.830 25.830 330 3HG2 THR 50 HG21 THR 50 31.839 24.850 24.850 331 H GLY 51 HN GLY 51 28.744 25.342 25.342 332 1HA GLY 51 HA2 GLY 51 27.307 25.393 25.393 333 2HA GLY 51 HA1 GLY 51 28.890 25.466 25.466 334 H GLN 52 HN GLN 52 26.653 23.428 23.428 335 HA GLN 52 HA GLN 52 28.194 21.062 21.062 336 1HB GLN 52 HB2 GLN 52 27.234 21.366 21.366 337 2HB GLN 52 HB1 GLN 52 28.136 20.008 20.008 338 1HG GLN 52 HG2 GLN 52 29.871 21.902 21.902 339 2HG GLN 52 HG1 GLN 52 29.085 22.772 22.772 340 1HE2 GLN 52 HE22 GLN 52 29.972 19.614 19.614 341 2HE2 GLN 52 HE21 GLN 52 28.496 20.047 20.047 342 H THR 53 HN THR 53 26.749 19.024 19.024 343 HA THR 53 HA THR 53 23.901 19.720 19.720 344 HB THR 53 HB THR 53 25.609 17.455 17.455 345 HG1 THR 53 HG1 THR 53 23.865 19.292 19.292 346 1HG2 THR 53 HG21 THR 53 22.589 17.710 17.710 347 2HG2 THR 53 HG23 THR 53 23.486 16.565 16.565 348 3HG2 THR 53 HG22 THR 53 23.541 16.436 16.436 349 H GLY 54 HN GLY 54 22.357 18.047 18.047 350 1HA GLY 54 HA2 GLY 54 23.280 16.133 16.133 351 2HA GLY 54 HA1 GLY 54 22.584 17.571 17.571 352 H TYR 55 HN TYR 55 21.819 14.521 14.521 353 HA TYR 55 HA TYR 55 19.307 14.846 14.846 354 1HB TYR 55 HB2 TYR 55 20.332 12.643 12.643 355 2HB TYR 55 HB1 TYR 55 18.862 12.534 12.534 356 HD1 TYR 55 HD1 TYR 55 21.128 14.526 14.526 357 HD2 TYR 55 HD2 TYR 55 20.381 10.457 10.457 358 HE1 TYR 55 HE1 TYR 55 22.449 13.812 13.812 359 HE2 TYR 55 HE2 TYR 55 21.701 9.744 9.744 360 HH TYR 55 HH TYR 55 23.796 11.132 11.132 361 H ILE 56 HN ILE 56 17.808 16.214 16.214 362 HA ILE 56 HA ILE 56 17.355 16.021 16.021 363 HB ILE 56 HB ILE 56 15.960 18.052 18.052 364 1HG1 ILE 56 HG12 ILE 56 16.895 18.557 18.557 365 2HG1 ILE 56 HG11 ILE 56 15.821 17.161 17.161 366 1HG2 ILE 56 HG22 ILE 56 18.750 18.091 18.091 367 2HG2 ILE 56 HG21 ILE 56 17.852 19.545 19.545 368 3HG2 ILE 56 HG23 ILE 56 18.307 18.385 18.385 369 1HD1 ILE 56 HD11 ILE 56 14.231 18.604 18.604 370 2HD1 ILE 56 HD13 ILE 56 15.258 19.982 19.982 371 3HD1 ILE 56 HD12 ILE 56 14.433 19.104 19.104 372 HA PRO 57 HA PRO 57 13.810 13.477 13.477 373 1HB PRO 57 HB2 PRO 57 12.475 14.632 14.632 374 2HB PRO 57 HB1 PRO 57 13.376 13.113 13.113 375 1HG PRO 57 HG2 PRO 57 14.164 15.588 15.588 376 2HG PRO 57 HG1 PRO 57 15.052 14.061 14.061 377 1HD PRO 57 HD1 PRO 57 15.641 16.496 16.496 378 2HD PRO 57 HD2 PRO 57 16.534 14.964 14.964 379 H SER 58 HN SER 58 11.423 13.710 13.710 380 HA SER 58 HA SER 58 10.834 16.296 16.296 381 1HB SER 58 HB2 SER 58 8.592 14.665 14.665 382 2HB SER 58 HB1 SER 58 9.885 14.849 14.849 383 HG SER 58 HG SER 58 9.726 12.940 12.940 384 H ASN 59 HN ASN 59 9.852 14.426 14.426 385 HA ASN 59 HA ASN 59 7.714 16.418 16.418 386 1HB ASN 59 HB2 ASN 59 7.917 13.620 13.620 387 2HB ASN 59 HB1 ASN 59 7.934 14.352 14.352 388 1HD2 ASN 59 HD22 ASN 59 4.586 15.567 15.567 389 2HD2 ASN 59 HD21 ASN 59 6.060 15.717 15.717 390 H TYR 60 HN TYR 60 10.397 17.318 17.318 391 HA TYR 60 HA TYR 60 10.467 17.823 17.823 392 1HB TYR 60 HB2 TYR 60 12.687 16.755 16.755 393 2HB TYR 60 HB1 TYR 60 13.066 17.756 17.756 394 HD1 TYR 60 HD2 TYR 60 11.146 14.716 14.716 395 HD2 TYR 60 HD1 TYR 60 13.042 16.803 16.803 396 HE1 TYR 60 HE2 TYR 60 10.813 12.780 12.780 397 HE2 TYR 60 HE1 TYR 60 12.710 14.867 14.867 398 HH TYR 60 HH TYR 60 11.955 12.802 12.802 399 H VAL 61 HN VAL 61 10.077 19.156 19.156 400 HA VAL 61 HA VAL 61 11.017 21.780 21.780 401 HB VAL 61 HB VAL 61 13.041 21.168 21.168 402 1HG1 VAL 61 HG13 VAL 61 11.546 19.267 19.267 403 2HG1 VAL 61 HG12 VAL 61 11.918 20.383 20.383 404 3HG1 VAL 61 HG11 VAL 61 13.224 19.645 19.645 405 1HG2 VAL 61 HG23 VAL 61 12.151 23.359 23.359 406 2HG2 VAL 61 HG22 VAL 61 13.150 22.596 22.596 407 3HG2 VAL 61 HG21 VAL 61 11.393 22.563 22.563 408 H ALA 62 HN ALA 62 10.308 23.493 23.493 409 HA ALA 62 HA ALA 62 8.235 22.706 22.706 410 1HB ALA 62 HB3 ALA 62 7.169 22.752 22.752 411 2HB ALA 62 HB2 ALA 62 7.396 24.499 24.499 412 3HB ALA 62 HB1 ALA 62 6.375 23.696 23.696 413 HA PRO 63 HA PRO 63 9.593 26.350 26.350 414 1HB PRO 63 HB2 PRO 63 6.975 27.041 27.041 415 2HB PRO 63 HB1 PRO 63 8.288 26.250 26.250 416 1HG PRO 63 HG2 PRO 63 5.834 25.065 25.065 417 2HG PRO 63 HG1 PRO 63 7.145 24.276 24.276 418 1HD PRO 63 HD1 PRO 63 6.464 23.979 23.979 419 2HD PRO 63 HD2 PRO 63 7.787 23.194 23.194 420 H SER 64 HN SER 64 9.929 28.364 28.364 421 HA SER 64 HA SER 64 7.802 30.071 30.071 422 1HB SER 64 HB2 SER 64 7.547 28.982 28.982 423 2HB SER 64 HB1 SER 64 9.192 28.343 28.343 424 HG SER 64 HG SER 64 9.960 30.340 30.340 425 1H ALA 71 HT1 ALA 71 9.292 16.673 16.673 426 2H ALA 71 HT3 ALA 71 10.366 17.932 17.932 427 3H ALA 71 HT2 ALA 71 9.614 17.052 17.052 428 HA ALA 71 HA ALA 71 11.909 16.358 16.358 429 1HB ALA 71 HB3 ALA 71 10.991 15.693 15.693 430 2HB ALA 71 HB2 ALA 71 12.536 15.200 15.200 431 3HB ALA 71 HB1 ALA 71 12.185 16.912 16.912 432 H PHE 72 HN PHE 72 10.016 15.317 15.317 433 HA PHE 72 HA PHE 72 10.388 12.497 12.497 434 1HB PHE 72 HB2 PHE 72 8.235 13.520 13.520 435 2HB PHE 72 HB1 PHE 72 7.619 12.431 12.431 436 HD1 PHE 72 HD2 PHE 72 9.472 10.366 10.366 437 HD2 PHE 72 HD1 PHE 72 8.679 12.426 12.426 438 HE1 PHE 72 HE2 PHE 72 10.313 8.442 8.442 439 HE2 PHE 72 HE1 PHE 72 9.520 10.498 10.498 440 HZ PHE 72 HZ PHE 72 10.337 8.506 8.506 441 H ALA 73 HN ALA 73 10.742 13.867 13.867 442 HA ALA 73 HA ALA 73 8.451 14.554 14.554 443 1HB ALA 73 HB2 ALA 73 11.352 14.118 14.118 444 2HB ALA 73 HB1 ALA 73 10.293 13.957 13.957 445 3HB ALA 73 HB3 ALA 73 10.320 15.464 15.464 446 HA PRO 74 HA PRO 74 6.863 10.782 10.782 447 1HB PRO 74 HB2 PRO 74 7.057 11.395 11.395 448 2HB PRO 74 HB1 PRO 74 5.632 11.503 11.503 449 1HG PRO 74 HG2 PRO 74 7.201 13.673 13.673 450 2HG PRO 74 HG1 PRO 74 5.772 13.782 13.782 451 1HD PRO 74 HD1 PRO 74 8.516 14.313 14.313 452 2HD PRO 74 HD2 PRO 74 7.082 14.416 14.416 453 HA PRO 75 HA PRO 75 10.361 8.260 8.260 454 1HB PRO 75 HB2 PRO 75 8.743 6.187 6.187 455 2HB PRO 75 HB1 PRO 75 9.432 6.244 6.244 456 1HG PRO 75 HG2 PRO 75 6.664 6.574 6.574 457 2HG PRO 75 HG1 PRO 75 7.350 6.607 6.607 458 1HD PRO 75 HD1 PRO 75 6.353 8.831 8.831 459 2HD PRO 75 HD2 PRO 75 7.050 8.865 8.865 460 H LEU 76 HN LEU 76 11.678 8.473 8.473 461 HA LEU 76 HA LEU 76 10.896 9.507 9.507 462 1HB LEU 76 HB2 LEU 76 13.214 7.668 7.668 463 2HB LEU 76 HB1 LEU 76 13.042 8.532 8.532 464 HG LEU 76 HG LEU 76 12.931 9.995 9.995 465 1HD1 LEU 76 HD11 LEU 76 15.078 8.548 8.548 466 2HD1 LEU 76 HD13 LEU 76 15.456 9.769 9.769 467 3HD1 LEU 76 HD12 LEU 76 15.261 10.236 10.236 468 1HD2 LEU 76 HD21 LEU 76 12.484 10.753 10.753 469 2HD2 LEU 76 HD23 LEU 76 12.896 11.848 11.848 470 3HD2 LEU 76 HD22 LEU 76 14.162 11.227 11.227 471 HA PRO 77 HA PRO 77 8.698 6.254 6.254 472 1HB PRO 77 HB2 PRO 77 9.610 7.025 7.025 473 2HB PRO 77 HB1 PRO 77 8.052 7.384 7.384 474 1HG PRO 77 HG2 PRO 77 10.240 9.204 9.204 475 2HG PRO 77 HG1 PRO 77 8.681 9.563 9.563 476 1HD PRO 77 HD1 PRO 77 11.266 9.372 9.372 477 2HD PRO 77 HD2 PRO 77 9.704 9.749 9.749 478 H ARG 78 HN ARG 78 9.293 4.694 4.694 479 HA ARG 78 HA ARG 78 11.812 3.382 3.382 480 1HB ARG 78 HB2 ARG 78 9.536 2.200 2.200 481 2HB ARG 78 HB1 ARG 78 9.950 2.387 2.387 482 1HG ARG 78 HG2 ARG 78 11.061 0.420 0.420 483 2HG ARG 78 HG1 ARG 78 12.302 1.422 1.422 484 1HD ARG 78 HD2 ARG 78 10.863 1.113 1.113 485 2HD ARG 78 HD1 ARG 78 10.190 -0.273 -0.273 486 HE ARG 78 HE ARG 78 13.100 -0.253 -0.253 487 1HH1 ARG 78 HH21 ARG 78 10.240 -1.041 -1.041 488 2HH1 ARG 78 HH22 ARG 78 11.002 -2.289 -2.289 489 1HH2 ARG 78 HH11 ARG 78 14.104 -1.878 -1.878 490 2HH2 ARG 78 HH12 ARG 78 13.186 -2.762 -2.762 491 H ARG 79 HN ARG 79 13.411 4.736 4.736 492 HA ARG 79 HA ARG 79 13.506 5.943 5.943 493 1HB ARG 79 HB2 ARG 79 15.704 4.469 4.469 494 2HB ARG 79 HB1 ARG 79 15.996 5.452 5.452 495 1HG ARG 79 HG2 ARG 79 14.482 7.153 7.153 496 2HG ARG 79 HG1 ARG 79 15.398 6.290 6.290 497 1HD ARG 79 HD2 ARG 79 17.429 6.745 6.745 498 2HD ARG 79 HD1 ARG 79 16.394 8.041 8.041 499 HE ARG 79 HE ARG 79 16.349 8.348 8.348 500 1HH1 ARG 79 HH21 ARG 79 18.745 8.135 8.135 501 2HH1 ARG 79 HH22 ARG 79 19.877 9.150 9.150 502 1HH2 ARG 79 HH11 ARG 79 17.818 9.673 9.673 503 2HH2 ARG 79 HH12 ARG 79 19.353 10.019 10.019
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