NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279020 | 2kq1 | 16576 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -9.215 -37.668 5.640 2 H2 MET 1 H2 MET 1 -9.136 -36.994 4.089 3 H3 MET 1 H3 MET 1 -10.208 -36.354 5.233 4 HA MET 1 HA MET 1 -8.370 -35.628 6.600 5 HB2 MET 1 2HB MET 1 -6.669 -36.607 4.293 6 HB3 MET 1 1HB MET 1 -6.087 -35.726 5.695 7 HG2 MET 1 2HG MET 1 -7.342 -38.458 5.758 8 HG3 MET 1 1HG MET 1 -5.614 -38.123 5.818 9 HE1 MET 1 2HE MET 1 -6.335 -39.317 9.457 10 HE2 MET 1 3HE MET 1 -5.383 -39.562 7.993 11 HE3 MET 1 1HE MET 1 -7.110 -39.916 7.989 12 HA PRO 2 HA PRO 2 -9.080 -32.029 4.080 13 HB2 PRO 2 2HB PRO 2 -8.182 -30.164 5.783 14 HB3 PRO 2 1HB PRO 2 -9.669 -31.064 6.110 15 HG2 PRO 2 2HG PRO 2 -6.923 -31.471 7.224 16 HG3 PRO 2 1HG PRO 2 -8.489 -31.526 8.054 17 HD2 PRO 2 2HD PRO 2 -7.109 -33.750 7.218 18 HD3 PRO 2 1HD PRO 2 -8.867 -33.697 7.449 19 H THR 3 HN THR 3 -7.870 -30.436 2.917 20 HA THR 3 HA THR 3 -4.975 -30.480 3.252 21 HB THR 3 HB THR 3 -6.172 -30.812 0.534 22 HG1 THR 3 1HG THR 3 -5.834 -32.665 2.459 23 HG21 THR 3 3HG2 THR 3 -3.967 -29.771 0.585 24 HG22 THR 3 1HG2 THR 3 -3.881 -31.387 -0.116 25 HG23 THR 3 2HG2 THR 3 -3.350 -31.116 1.544 26 H PHE 4 HN PHE 4 -3.968 -28.636 2.658 27 HA PHE 4 HA PHE 4 -5.571 -26.470 1.550 28 HB2 PHE 4 2HB PHE 4 -4.148 -25.017 3.152 29 HB3 PHE 4 1HB PHE 4 -5.553 -25.844 3.800 30 HD1 PHE 4 1HD PHE 4 -1.885 -25.727 3.705 31 HD2 PHE 4 2HD PHE 4 -5.298 -27.641 5.378 32 HE1 PHE 4 1HE PHE 4 -0.458 -26.776 5.412 33 HE2 PHE 4 2HE PHE 4 -3.876 -28.693 7.088 34 HZ PHE 4 HZ PHE 4 -1.454 -28.262 7.106 35 H ASP 5 HN ASP 5 -4.483 -25.159 0.125 36 HA ASP 5 HA ASP 5 -1.728 -25.935 -0.481 37 HB2 ASP 5 2HB ASP 5 -2.312 -24.689 -2.682 38 HB3 ASP 5 1HB ASP 5 -2.925 -26.315 -2.439 39 H HIS 6 HN HIS 6 -1.232 -24.578 1.404 40 HA HIS 6 HA HIS 6 -0.406 -22.709 2.391 41 HB2 HIS 6 2HB HIS 6 -0.373 -21.625 -0.441 42 HB3 HIS 6 1HB HIS 6 0.381 -20.842 0.941 43 HD1 HIS 6 1HD HIS 6 2.560 -21.940 1.887 44 HD2 HIS 6 2HD HIS 6 1.033 -23.764 -1.529 45 HE1 HIS 6 1HE HIS 6 4.409 -23.400 1.010 46 HE2 HIS 6 2HE HIS 6 3.501 -24.424 -1.108 47 H GLY 7 HN GLY 7 -0.840 -20.011 1.987 48 HA2 GLY 7 2HA GLY 7 -3.733 -19.672 1.678 49 HA3 GLY 7 1HA GLY 7 -2.992 -19.167 3.191 50 H ASN 8 HN ASN 8 -4.376 -17.506 1.298 51 HA ASN 8 HA ASN 8 -2.312 -15.495 1.030 52 HB2 ASN 8 2HB ASN 8 -3.243 -14.963 -1.340 53 HB3 ASN 8 1HB ASN 8 -2.020 -16.208 -1.142 54 HD21 ASN 8 1HD2 ASN 8 -2.532 -18.325 -1.520 55 HD22 ASN 8 2HD2 ASN 8 -4.011 -18.806 -2.272 56 H LEU 9 HN LEU 9 -3.039 -13.436 1.033 57 HA LEU 9 HA LEU 9 -5.900 -12.920 1.110 58 HB2 LEU 9 2HB LEU 9 -5.336 -13.518 3.429 59 HB3 LEU 9 1HB LEU 9 -4.062 -12.314 3.435 60 HG LEU 9 HG LEU 9 -5.788 -10.546 3.134 61 HD11 LEU 9 1HD1 LEU 9 -7.516 -11.892 2.083 62 HD12 LEU 9 2HD1 LEU 9 -8.130 -11.113 3.542 63 HD13 LEU 9 3HD1 LEU 9 -7.710 -12.826 3.566 64 HD21 LEU 9 3HD2 LEU 9 -6.187 -12.323 5.538 65 HD22 LEU 9 1HD2 LEU 9 -6.583 -10.608 5.428 66 HD23 LEU 9 2HD2 LEU 9 -4.901 -11.132 5.345 67 H SER 10 HN SER 10 -6.282 -11.078 0.080 68 HA SER 10 HA SER 10 -4.115 -9.326 -0.650 69 HB2 SER 10 2HB SER 10 -7.095 -9.043 -1.121 70 HB3 SER 10 1HB SER 10 -5.827 -8.107 -1.911 71 HG SER 10 HG SER 10 -5.163 -9.889 -3.009 72 H LEU 11 HN LEU 11 -3.514 -7.508 0.389 73 HA LEU 11 HA LEU 11 -4.908 -6.736 2.800 74 HB2 LEU 11 2HB LEU 11 -2.498 -5.534 1.434 75 HB3 LEU 11 1HB LEU 11 -3.122 -5.015 2.986 76 HG LEU 11 HG LEU 11 -1.999 -7.754 2.386 77 HD11 LEU 11 1HD1 LEU 11 -0.136 -7.053 3.801 78 HD12 LEU 11 2HD1 LEU 11 -0.846 -5.446 3.948 79 HD13 LEU 11 3HD1 LEU 11 -0.284 -6.022 2.378 80 HD21 LEU 11 3HD2 LEU 11 -2.126 -8.083 4.810 81 HD22 LEU 11 1HD2 LEU 11 -3.722 -7.829 4.104 82 HD23 LEU 11 2HD2 LEU 11 -2.925 -6.520 4.978 83 H GLY 12 HN GLY 12 -4.842 -5.819 -0.489 84 HA2 GLY 12 2HA GLY 12 -6.746 -4.572 -1.327 85 HA3 GLY 12 1HA GLY 12 -6.659 -3.583 0.124 86 H GLU 13 HN GLU 13 -6.776 -1.982 -1.767 87 HA GLU 13 HA GLU 13 -4.136 -1.460 -2.908 88 HB2 GLU 13 2HB GLU 13 -6.755 -0.006 -3.356 89 HB3 GLU 13 1HB GLU 13 -5.260 0.256 -4.243 90 HG2 GLU 13 2HG GLU 13 -5.370 -2.063 -5.060 91 HG3 GLU 13 1HG GLU 13 -6.913 -2.257 -4.233 92 H LEU 14 HN LEU 14 -2.772 -0.148 -1.942 93 HA LEU 14 HA LEU 14 -3.722 1.408 0.337 94 HB2 LEU 14 2HB LEU 14 -0.982 0.489 -0.502 95 HB3 LEU 14 1HB LEU 14 -1.251 1.584 0.840 96 HG LEU 14 HG LEU 14 -2.293 -1.243 0.644 97 HD11 LEU 14 1HD1 LEU 14 -0.703 -1.710 2.441 98 HD12 LEU 14 2HD1 LEU 14 -0.112 -0.052 2.353 99 HD13 LEU 14 3HD1 LEU 14 0.124 -1.143 0.989 100 HD21 LEU 14 3HD2 LEU 14 -3.808 0.214 1.877 101 HD22 LEU 14 1HD2 LEU 14 -2.469 0.775 2.878 102 HD23 LEU 14 2HD2 LEU 14 -2.989 -0.908 2.965 103 H GLU 15 HN GLU 15 -3.055 3.521 0.699 104 HA GLU 15 HA GLU 15 -2.917 5.232 -1.581 105 HB2 GLU 15 2HB GLU 15 -2.449 5.836 1.350 106 HB3 GLU 15 1HB GLU 15 -2.743 7.024 0.088 107 HG2 GLU 15 2HG GLU 15 -4.967 6.594 0.002 108 HG3 GLU 15 1HG GLU 15 -4.770 4.902 0.458 109 H LEU 16 HN LEU 16 -1.137 6.112 -2.527 110 HA LEU 16 HA LEU 16 1.453 5.130 -1.691 111 HB2 LEU 16 2HB LEU 16 0.471 5.534 -4.117 112 HB3 LEU 16 1HB LEU 16 1.090 7.152 -3.860 113 HG LEU 16 HG LEU 16 2.666 5.760 -5.122 114 HD11 LEU 16 1HD1 LEU 16 3.671 6.429 -2.359 115 HD12 LEU 16 2HD1 LEU 16 3.575 7.538 -3.726 116 HD13 LEU 16 3HD1 LEU 16 4.670 6.158 -3.788 117 HD21 LEU 16 3HD2 LEU 16 2.757 4.052 -2.641 118 HD22 LEU 16 1HD2 LEU 16 3.788 3.873 -4.061 119 HD23 LEU 16 2HD2 LEU 16 2.052 3.595 -4.191 120 H THR 17 HN THR 17 2.469 6.128 -0.085 121 HA THR 17 HA THR 17 1.986 8.976 0.363 122 HB THR 17 HB THR 17 3.405 6.978 2.133 123 HG1 THR 17 1HG THR 17 1.382 6.346 2.388 124 HG21 THR 17 3HG2 THR 17 2.348 9.748 2.726 125 HG22 THR 17 1HG2 THR 17 4.050 9.315 2.557 126 HG23 THR 17 2HG2 THR 17 3.100 8.655 3.887 127 H VAL 18 HN VAL 18 3.371 10.417 -0.342 128 HA VAL 18 HA VAL 18 6.143 9.615 -0.892 129 HB VAL 18 HB VAL 18 4.620 12.028 -1.907 130 HG11 VAL 18 1HG1 VAL 18 7.379 11.006 -2.579 131 HG12 VAL 18 2HG1 VAL 18 6.991 12.505 -1.735 132 HG13 VAL 18 3HG1 VAL 18 6.547 12.305 -3.431 133 HG21 VAL 18 3HG2 VAL 18 4.661 10.899 -4.080 134 HG22 VAL 18 1HG2 VAL 18 3.789 9.943 -2.880 135 HG23 VAL 18 2HG2 VAL 18 5.433 9.499 -3.338 136 H LEU 19 HN LEU 19 7.639 10.269 0.501 137 HA LEU 19 HA LEU 19 6.951 12.317 2.458 138 HB2 LEU 19 2HB LEU 19 9.360 10.509 2.253 139 HB3 LEU 19 1HB LEU 19 9.038 11.616 3.574 140 HG LEU 19 HG LEU 19 7.348 9.225 2.831 141 HD11 LEU 19 1HD1 LEU 19 8.162 8.303 4.943 142 HD12 LEU 19 2HD1 LEU 19 9.203 9.712 5.154 143 HD13 LEU 19 3HD1 LEU 19 9.481 8.603 3.811 144 HD21 LEU 19 3HD2 LEU 19 7.102 11.184 5.113 145 HD22 LEU 19 1HD2 LEU 19 6.157 9.706 4.921 146 HD23 LEU 19 2HD2 LEU 19 5.991 11.017 3.753 147 H TYR 20 HN TYR 20 7.470 14.344 2.132 148 HA TYR 20 HA TYR 20 10.039 15.096 1.066 149 HB2 TYR 20 2HB TYR 20 9.206 16.446 -0.764 150 HB3 TYR 20 1HB TYR 20 8.628 14.799 -0.983 151 HD1 TYR 20 1HD TYR 20 6.211 14.292 -0.208 152 HD2 TYR 20 2HD TYR 20 7.717 18.235 -0.794 153 HE1 TYR 20 1HE TYR 20 3.911 15.138 -0.416 154 HE2 TYR 20 2HE TYR 20 5.422 19.088 -1.001 155 HH TYR 20 HH TYR 20 3.181 18.203 -1.622 156 H ASP 21 HN ASP 21 9.950 17.681 0.890 157 HA ASP 21 HA ASP 21 8.348 18.671 3.149 158 HB2 ASP 21 2HB ASP 21 10.140 20.013 3.946 159 HB3 ASP 21 1HB ASP 21 10.818 18.411 3.685 160 H GLU 22 HN GLU 22 7.787 20.954 3.015 161 HA GLU 22 HA GLU 22 6.962 21.430 0.278 162 HB2 GLU 22 2HB GLU 22 6.204 22.811 2.851 163 HB3 GLU 22 1HB GLU 22 5.500 23.170 1.279 164 HG2 GLU 22 2HG GLU 22 4.826 20.739 1.172 165 HG3 GLU 22 1HG GLU 22 5.288 20.631 2.870 166 H GLU 23 HN GLU 23 9.664 22.272 1.862 167 HA GLU 23 HA GLU 23 9.850 24.929 0.667 168 HB2 GLU 23 2HB GLU 23 11.824 23.405 2.373 169 HB3 GLU 23 1HB GLU 23 12.007 25.059 1.826 170 HG2 GLU 23 2HG GLU 23 9.944 25.634 3.090 171 HG3 GLU 23 1HG GLU 23 9.960 23.998 3.746 172 H ARG 24 HN ARG 24 10.293 21.772 -0.199 173 HA ARG 24 HA ARG 24 12.705 22.254 -1.783 174 HB2 ARG 24 2HB ARG 24 11.893 20.097 -0.279 175 HB3 ARG 24 1HB ARG 24 11.508 19.587 -1.915 176 HG2 ARG 24 2HG ARG 24 13.738 18.862 -1.200 177 HG3 ARG 24 1HG ARG 24 13.796 19.931 -2.604 178 HD2 ARG 24 2HD ARG 24 15.509 20.380 -0.805 179 HD3 ARG 24 1HD ARG 24 14.529 21.762 -1.293 180 HE ARG 24 HE ARG 24 13.312 20.484 0.908 181 HH11 ARG 24 1HH1 ARG 24 16.158 22.399 0.164 182 HH12 ARG 24 2HH1 ARG 24 16.216 23.155 1.727 183 HH21 ARG 24 1HH2 ARG 24 13.359 21.503 2.928 184 HH22 ARG 24 2HH2 ARG 24 14.610 22.650 3.305 185 H TYR 25 HN TYR 25 9.873 20.224 -2.476 186 HA TYR 25 HA TYR 25 9.470 21.633 -5.007 187 HB2 TYR 25 2HB TYR 25 10.067 18.680 -4.743 188 HB3 TYR 25 1HB TYR 25 9.348 19.397 -6.178 189 HD1 TYR 25 2HD TYR 25 10.668 20.846 -7.643 190 HD2 TYR 25 1HD TYR 25 12.411 19.002 -4.228 191 HE1 TYR 25 2HE TYR 25 12.910 21.334 -8.529 192 HE2 TYR 25 1HE TYR 25 14.655 19.486 -5.106 193 HH TYR 25 HH TYR 25 15.177 21.591 -7.768 194 H ASP 26 HN ASP 26 7.539 20.550 -6.176 195 HA ASP 26 HA ASP 26 5.539 19.684 -4.196 196 HB2 ASP 26 2HB ASP 26 5.144 22.007 -5.022 197 HB3 ASP 26 1HB ASP 26 5.021 21.373 -6.657 198 H ILE 27 HN ILE 27 3.758 18.436 -5.200 199 HA ILE 27 HA ILE 27 4.983 16.378 -6.853 200 HB ILE 27 HB ILE 27 2.258 16.418 -5.537 201 HG12 ILE 27 2HG1 ILE 27 4.825 15.048 -4.690 202 HG13 ILE 27 1HG1 ILE 27 4.142 16.477 -3.922 203 HG21 ILE 27 1HG2 ILE 27 3.802 14.163 -6.817 204 HG22 ILE 27 2HG2 ILE 27 2.343 14.920 -7.455 205 HG23 ILE 27 3HG2 ILE 27 2.272 13.998 -5.954 206 HD11 ILE 27 3HD1 ILE 27 3.650 14.503 -2.625 207 HD12 ILE 27 1HD1 ILE 27 2.897 13.739 -4.025 208 HD13 ILE 27 2HD1 ILE 27 2.160 15.167 -3.300 209 H VAL 28 HN VAL 28 4.903 16.618 -8.980 210 HA VAL 28 HA VAL 28 2.567 17.860 -10.226 211 HB VAL 28 HB VAL 28 5.100 16.846 -11.538 212 HG11 VAL 28 1HG1 VAL 28 2.880 18.604 -12.586 213 HG12 VAL 28 2HG1 VAL 28 3.209 16.940 -13.067 214 HG13 VAL 28 3HG1 VAL 28 4.371 18.211 -13.447 215 HG21 VAL 28 3HG2 VAL 28 5.762 19.201 -11.660 216 HG22 VAL 28 1HG2 VAL 28 5.569 18.671 -9.989 217 HG23 VAL 28 2HG2 VAL 28 4.319 19.654 -10.751 218 H GLU 29 HN GLU 29 4.408 14.835 -10.336 219 HA GLU 29 HA GLU 29 1.959 13.433 -11.148 220 HB2 GLU 29 2HB GLU 29 4.676 13.261 -12.431 221 HB3 GLU 29 1HB GLU 29 3.556 11.909 -12.504 222 HG2 GLU 29 2HG GLU 29 2.900 14.679 -13.469 223 HG3 GLU 29 1HG GLU 29 3.553 13.404 -14.497 224 H GLN 30 HN GLN 30 1.856 11.264 -10.507 225 HA GLN 30 HA GLN 30 3.933 9.916 -9.140 226 HB2 GLN 30 2HB GLN 30 3.047 9.892 -6.885 227 HB3 GLN 30 1HB GLN 30 3.342 11.558 -7.366 228 HG2 GLN 30 2HG GLN 30 1.003 11.919 -7.741 229 HG3 GLN 30 1HG GLN 30 0.652 10.216 -7.461 230 HE21 GLN 30 1HE2 GLN 30 -0.744 10.625 -5.791 231 HE22 GLN 30 2HE2 GLN 30 -0.220 11.186 -4.245 232 H THR 31 HN THR 31 2.796 7.993 -7.815 233 HA THR 31 HA THR 31 0.762 6.852 -9.558 234 HB THR 31 HB THR 31 1.102 4.902 -7.803 235 HG1 THR 31 1HG THR 31 2.445 6.022 -6.387 236 HG21 THR 31 3HG2 THR 31 3.160 5.627 -9.892 237 HG22 THR 31 1HG2 THR 31 1.657 4.747 -10.172 238 HG23 THR 31 2HG2 THR 31 2.933 4.025 -9.190 239 H GLU 32 HN GLU 32 -1.303 6.342 -8.895 240 HA GLU 32 HA GLU 32 -2.336 7.891 -6.712 241 HB2 GLU 32 2HB GLU 32 -3.654 5.934 -8.598 242 HB3 GLU 32 1HB GLU 32 -4.520 6.915 -7.421 243 HG2 GLU 32 2HG GLU 32 -3.923 8.925 -8.532 244 HG3 GLU 32 1HG GLU 32 -2.770 8.083 -9.567 245 H THR 33 HN THR 33 -2.584 4.407 -7.464 246 HA THR 33 HA THR 33 -2.393 3.822 -4.602 247 HB THR 33 HB THR 33 -4.322 2.163 -4.932 248 HG1 THR 33 1HG THR 33 -5.842 3.120 -6.598 249 HG21 THR 33 3HG2 THR 33 -6.034 3.854 -4.449 250 HG22 THR 33 1HG2 THR 33 -4.934 5.121 -4.995 251 HG23 THR 33 2HG2 THR 33 -4.545 4.174 -3.558 252 H VAL 34 HN VAL 34 -1.635 1.757 -4.116 253 HA VAL 34 HA VAL 34 -1.040 -0.002 -6.407 254 HB VAL 34 HB VAL 34 1.031 -0.746 -5.183 255 HG11 VAL 34 1HG1 VAL 34 1.188 0.698 -7.112 256 HG12 VAL 34 2HG1 VAL 34 2.394 1.163 -5.912 257 HG13 VAL 34 3HG1 VAL 34 0.925 2.122 -6.103 258 HG21 VAL 34 3HG2 VAL 34 2.004 0.805 -3.547 259 HG22 VAL 34 1HG2 VAL 34 0.497 0.091 -2.970 260 HG23 VAL 34 2HG2 VAL 34 0.515 1.749 -3.571 261 H GLN 35 HN GLN 35 -1.112 -2.264 -5.942 262 HA GLN 35 HA GLN 35 -2.743 -2.819 -3.562 263 HB2 GLN 35 2HB GLN 35 -3.689 -3.300 -5.867 264 HB3 GLN 35 1HB GLN 35 -2.487 -4.580 -5.997 265 HG2 GLN 35 2HG GLN 35 -3.428 -5.617 -3.962 266 HG3 GLN 35 1HG GLN 35 -4.677 -4.373 -3.940 267 HE21 GLN 35 1HE2 GLN 35 -3.524 -7.262 -5.425 268 HE22 GLN 35 2HE2 GLN 35 -4.917 -7.547 -6.420 269 H VAL 36 HN VAL 36 -2.161 -4.358 -2.120 270 HA VAL 36 HA VAL 36 0.342 -5.816 -2.655 271 HB VAL 36 HB VAL 36 0.908 -4.118 -1.069 272 HG11 VAL 36 1HG1 VAL 36 -0.247 -3.837 1.071 273 HG12 VAL 36 2HG1 VAL 36 -1.433 -5.049 0.584 274 HG13 VAL 36 3HG1 VAL 36 -1.317 -3.526 -0.296 275 HG21 VAL 36 3HG2 VAL 36 1.905 -6.275 -0.633 276 HG22 VAL 36 1HG2 VAL 36 0.513 -6.755 0.337 277 HG23 VAL 36 2HG2 VAL 36 1.569 -5.456 0.893 278 H ASP 37 HN ASP 37 0.185 -7.877 -2.576 279 HA ASP 37 HA ASP 37 -2.077 -9.146 -1.172 280 HB2 ASP 37 2HB ASP 37 -0.613 -9.995 -3.686 281 HB3 ASP 37 1HB ASP 37 -1.798 -10.990 -2.852 282 H LEU 38 HN LEU 38 -1.595 -10.858 0.188 283 HA LEU 38 HA LEU 38 1.265 -11.538 0.414 284 HB2 LEU 38 2HB LEU 38 -0.799 -11.367 2.608 285 HB3 LEU 38 1HB LEU 38 0.831 -11.973 2.822 286 HG LEU 38 HG LEU 38 0.070 -9.148 2.078 287 HD11 LEU 38 1HD1 LEU 38 1.259 -10.297 4.598 288 HD12 LEU 38 2HD1 LEU 38 -0.397 -9.723 4.405 289 HD13 LEU 38 3HD1 LEU 38 0.949 -8.591 4.280 290 HD21 LEU 38 3HD2 LEU 38 2.459 -8.661 2.324 291 HD22 LEU 38 1HD2 LEU 38 2.163 -9.804 1.013 292 HD23 LEU 38 2HD2 LEU 38 2.783 -10.378 2.561 293 H GLU 39 HN GLU 39 1.710 -13.580 -0.060 294 HA GLU 39 HA GLU 39 -0.293 -15.621 0.654 295 HB2 GLU 39 2HB GLU 39 1.901 -15.900 -1.413 296 HB3 GLU 39 1HB GLU 39 0.697 -17.116 -0.996 297 HG2 GLU 39 2HG GLU 39 -1.062 -15.670 -1.820 298 HG3 GLU 39 1HG GLU 39 0.139 -14.456 -2.219 299 H GLY 40 HN GLY 40 0.543 -17.570 1.487 300 HA2 GLY 40 2HA GLY 40 3.024 -18.321 2.207 301 HA3 GLY 40 1HA GLY 40 2.716 -17.017 3.343 302 HA PRO 41 HA PRO 41 1.355 -20.891 5.378 303 HB2 PRO 41 2HB PRO 41 2.103 -19.435 7.812 304 HB3 PRO 41 1HB PRO 41 2.683 -20.990 7.212 305 HG2 PRO 41 2HG PRO 41 4.239 -18.796 7.210 306 HG3 PRO 41 1HG PRO 41 4.347 -20.027 5.937 307 HD2 PRO 41 2HD PRO 41 2.962 -17.367 5.888 308 HD3 PRO 41 1HD PRO 41 3.964 -18.137 4.638 309 H ARG 42 HN ARG 42 -0.622 -21.300 6.029 310 HA ARG 42 HA ARG 42 -2.697 -19.504 6.311 311 HB2 ARG 42 2HB ARG 42 -2.320 -22.256 7.494 312 HB3 ARG 42 1HB ARG 42 -3.829 -21.367 7.621 313 HG2 ARG 42 2HG ARG 42 -2.553 -21.956 4.972 314 HG3 ARG 42 1HG ARG 42 -3.641 -23.093 5.769 315 HD2 ARG 42 2HD ARG 42 -5.355 -21.297 5.859 316 HD3 ARG 42 1HD ARG 42 -4.270 -20.271 4.923 317 HE ARG 42 HE ARG 42 -4.446 -21.950 3.121 318 HH11 ARG 42 1HH1 ARG 42 -6.920 -21.855 5.605 319 HH12 ARG 42 2HH1 ARG 42 -8.133 -22.602 4.603 320 HH21 ARG 42 1HH2 ARG 42 -6.035 -22.917 1.799 321 HH22 ARG 42 2HH2 ARG 42 -7.630 -23.197 2.436 322 H GLY 43 HN GLY 43 -0.600 -20.833 8.836 323 HA2 GLY 43 2HA GLY 43 -2.001 -19.918 11.075 324 HA3 GLY 43 1HA GLY 43 -0.279 -20.255 11.031 325 H VAL 44 HN VAL 44 0.553 -18.288 9.229 326 HA VAL 44 HA VAL 44 0.824 -16.104 11.007 327 HB VAL 44 HB VAL 44 1.449 -16.093 8.048 328 HG11 VAL 44 1HG1 VAL 44 1.487 -13.889 9.048 329 HG12 VAL 44 2HG1 VAL 44 3.132 -14.414 8.689 330 HG13 VAL 44 3HG1 VAL 44 2.531 -14.467 10.346 331 HG21 VAL 44 3HG2 VAL 44 3.184 -16.974 10.354 332 HG22 VAL 44 1HG2 VAL 44 3.714 -16.793 8.681 333 HG23 VAL 44 2HG2 VAL 44 2.512 -18.014 9.098 334 H LEU 45 HN LEU 45 -1.145 -16.639 8.131 335 HA LEU 45 HA LEU 45 -2.181 -14.053 7.839 336 HB2 LEU 45 2HB LEU 45 -3.410 -16.732 7.203 337 HB3 LEU 45 1HB LEU 45 -4.104 -15.197 6.716 338 HG LEU 45 HG LEU 45 -1.389 -16.205 5.867 339 HD11 LEU 45 1HD1 LEU 45 -4.010 -16.120 4.382 340 HD12 LEU 45 2HD1 LEU 45 -3.149 -17.565 4.911 341 HD13 LEU 45 3HD1 LEU 45 -2.446 -16.523 3.673 342 HD21 LEU 45 3HD2 LEU 45 -3.011 -13.812 5.008 343 HD22 LEU 45 1HD2 LEU 45 -1.515 -14.357 4.249 344 HD23 LEU 45 2HD2 LEU 45 -1.500 -13.788 5.918 345 H THR 46 HN THR 46 -3.105 -16.714 9.931 346 HA THR 46 HA THR 46 -5.560 -15.591 10.828 347 HB THR 46 HB THR 46 -3.791 -17.536 12.335 348 HG1 THR 46 1HG THR 46 -4.566 -18.004 9.990 349 HG21 THR 46 3HG2 THR 46 -5.652 -16.590 13.629 350 HG22 THR 46 1HG2 THR 46 -5.895 -18.308 13.311 351 HG23 THR 46 2HG2 THR 46 -6.782 -17.104 12.376 352 H VAL 47 HN VAL 47 -2.238 -15.540 12.057 353 HA VAL 47 HA VAL 47 -2.754 -14.187 14.464 354 HB VAL 47 HB VAL 47 -0.221 -14.179 12.801 355 HG11 VAL 47 1HG1 VAL 47 -0.231 -12.349 14.399 356 HG12 VAL 47 2HG1 VAL 47 0.912 -13.593 14.900 357 HG13 VAL 47 3HG1 VAL 47 -0.654 -13.461 15.700 358 HG21 VAL 47 3HG2 VAL 47 -1.106 -15.947 15.078 359 HG22 VAL 47 1HG2 VAL 47 0.513 -15.935 14.379 360 HG23 VAL 47 2HG2 VAL 47 -0.868 -16.423 13.397 361 H PHE 48 HN PHE 48 -1.751 -12.967 11.280 362 HA PHE 48 HA PHE 48 -1.634 -10.251 12.037 363 HB2 PHE 48 2HB PHE 48 -0.540 -11.115 10.014 364 HB3 PHE 48 1HB PHE 48 -2.115 -11.443 9.297 365 HD1 PHE 48 2HD PHE 48 -0.064 -8.665 10.681 366 HD2 PHE 48 1HD PHE 48 -3.146 -9.830 7.992 367 HE1 PHE 48 2HE PHE 48 -0.114 -6.385 9.761 368 HE2 PHE 48 1HE PHE 48 -3.203 -7.549 7.068 369 HZ PHE 48 HZ PHE 48 -1.686 -5.824 7.952 370 H ARG 49 HN ARG 49 -4.264 -12.304 11.053 371 HA ARG 49 HA ARG 49 -6.108 -10.315 10.313 372 HB2 ARG 49 2HB ARG 49 -6.082 -13.187 10.747 373 HB3 ARG 49 1HB ARG 49 -7.596 -12.461 11.242 374 HG2 ARG 49 2HG ARG 49 -6.299 -12.303 8.534 375 HG3 ARG 49 1HG ARG 49 -7.769 -13.176 8.963 376 HD2 ARG 49 2HD ARG 49 -7.370 -10.187 8.946 377 HD3 ARG 49 1HD ARG 49 -8.350 -11.131 7.827 378 HE ARG 49 HE ARG 49 -9.202 -11.510 10.509 379 HH11 ARG 49 1HH1 ARG 49 -9.393 -9.282 7.804 380 HH12 ARG 49 2HH1 ARG 49 -10.838 -8.516 8.391 381 HH21 ARG 49 1HH2 ARG 49 -11.104 -10.511 11.265 382 HH22 ARG 49 2HH2 ARG 49 -11.807 -9.199 10.360 383 H PHE 50 HN PHE 50 -4.927 -11.202 13.394 384 HA PHE 50 HA PHE 50 -7.251 -10.434 14.882 385 HB2 PHE 50 2HB PHE 50 -4.394 -11.033 15.577 386 HB3 PHE 50 1HB PHE 50 -5.477 -10.336 16.766 387 HD1 PHE 50 1HD PHE 50 -7.632 -11.583 17.283 388 HD2 PHE 50 2HD PHE 50 -4.373 -13.325 15.183 389 HE1 PHE 50 1HE PHE 50 -8.500 -13.822 17.811 390 HE2 PHE 50 2HE PHE 50 -5.235 -15.570 15.703 391 HZ PHE 50 HZ PHE 50 -7.303 -15.821 17.019 392 H ALA 51 HN ALA 51 -4.589 -8.804 13.440 393 HA ALA 51 HA ALA 51 -5.072 -6.392 15.037 394 HB1 ALA 51 1HB ALA 51 -2.971 -5.561 14.125 395 HB2 ALA 51 2HB ALA 51 -2.832 -6.993 13.103 396 HB3 ALA 51 3HB ALA 51 -2.748 -7.149 14.857 397 H ARG 52 HN ARG 52 -6.080 -4.672 14.210 398 HA ARG 52 HA ARG 52 -7.246 -4.726 11.645 399 HB2 ARG 52 2HB ARG 52 -6.984 -2.679 13.806 400 HB3 ARG 52 1HB ARG 52 -7.663 -2.246 12.252 401 HG2 ARG 52 2HG ARG 52 -9.347 -4.034 12.534 402 HG3 ARG 52 1HG ARG 52 -8.700 -4.334 14.147 403 HD2 ARG 52 2HD ARG 52 -9.714 -1.649 13.257 404 HD3 ARG 52 1HD ARG 52 -10.745 -2.855 14.022 405 HE ARG 52 HE ARG 52 -9.368 -2.662 16.007 406 HH11 ARG 52 1HH1 ARG 52 -8.886 -0.190 13.577 407 HH12 ARG 52 2HH1 ARG 52 -8.308 0.997 14.701 408 HH21 ARG 52 1HH2 ARG 52 -8.629 -1.091 17.510 409 HH22 ARG 52 2HH2 ARG 52 -8.166 0.489 16.939 410 HA PRO 53 HA PRO 53 -4.292 -3.231 8.822 411 HB2 PRO 53 2HB PRO 53 -5.628 -0.984 7.792 412 HB3 PRO 53 1HB PRO 53 -5.690 -2.633 7.171 413 HG2 PRO 53 2HG PRO 53 -7.603 -1.196 8.937 414 HG3 PRO 53 1HG PRO 53 -7.916 -2.428 7.701 415 HD2 PRO 53 2HD PRO 53 -8.022 -3.010 10.316 416 HD3 PRO 53 1HD PRO 53 -7.390 -4.176 9.132 417 H SER 54 HN SER 54 -2.501 -2.302 9.368 418 HA SER 54 HA SER 54 -2.446 0.522 10.053 419 HB2 SER 54 2HB SER 54 -1.509 -1.773 11.662 420 HB3 SER 54 1HB SER 54 -0.431 -0.398 11.563 421 HG SER 54 HG SER 54 -2.248 0.912 12.248 422 H TYR 55 HN TYR 55 -1.888 -1.247 7.691 423 HA TYR 55 HA TYR 55 1.018 -1.056 7.443 424 HB2 TYR 55 2HB TYR 55 0.514 -2.381 5.264 425 HB3 TYR 55 1HB TYR 55 0.396 -3.208 6.810 426 HD1 TYR 55 1HD TYR 55 -1.566 -1.715 4.053 427 HD2 TYR 55 2HD TYR 55 -1.668 -4.112 7.564 428 HE1 TYR 55 1HE TYR 55 -3.854 -2.420 3.499 429 HE2 TYR 55 2HE TYR 55 -3.959 -4.817 7.021 430 HH TYR 55 HH TYR 55 -5.414 -4.150 3.960 431 H GLU 56 HN GLU 56 2.026 0.168 5.928 432 HA GLU 56 HA GLU 56 0.399 1.815 4.142 433 HB2 GLU 56 2HB GLU 56 0.633 3.010 6.334 434 HB3 GLU 56 1HB GLU 56 2.376 2.993 6.109 435 HG2 GLU 56 2HG GLU 56 2.139 4.350 4.098 436 HG3 GLU 56 1HG GLU 56 0.388 4.347 4.299 437 H VAL 57 HN VAL 57 1.547 2.635 2.372 438 HA VAL 57 HA VAL 57 4.318 1.677 2.102 439 HB VAL 57 HB VAL 57 3.918 1.731 -0.386 440 HG11 VAL 57 1HG1 VAL 57 2.742 -0.417 -0.440 441 HG12 VAL 57 2HG1 VAL 57 2.228 -0.173 1.230 442 HG13 VAL 57 3HG1 VAL 57 3.941 -0.362 0.853 443 HG21 VAL 57 3HG2 VAL 57 1.029 1.946 0.457 444 HG22 VAL 57 1HG2 VAL 57 1.603 1.614 -1.176 445 HG23 VAL 57 2HG2 VAL 57 1.951 3.169 -0.419 446 H PHE 58 HN PHE 58 5.842 3.156 1.735 447 HA PHE 58 HA PHE 58 5.127 5.804 0.785 448 HB2 PHE 58 2HB PHE 58 6.076 6.943 2.740 449 HB3 PHE 58 1HB PHE 58 4.711 5.936 3.207 450 HD1 PHE 58 2HD PHE 58 5.095 3.817 4.423 451 HD2 PHE 58 1HD PHE 58 8.272 6.519 3.561 452 HE1 PHE 58 2HE PHE 58 6.496 2.707 6.110 453 HE2 PHE 58 1HE PHE 58 9.677 5.409 5.248 454 HZ PHE 58 HZ PHE 58 8.789 3.500 6.525 455 H VAL 59 HN VAL 59 6.955 7.088 0.226 456 HA VAL 59 HA VAL 59 9.595 5.815 0.424 457 HB VAL 59 HB VAL 59 8.724 7.206 -2.100 458 HG11 VAL 59 1HG1 VAL 59 11.122 7.113 -1.661 459 HG12 VAL 59 2HG1 VAL 59 10.684 6.135 -3.062 460 HG13 VAL 59 3HG1 VAL 59 11.029 5.357 -1.518 461 HG21 VAL 59 3HG2 VAL 59 8.763 4.227 -1.633 462 HG22 VAL 59 1HG2 VAL 59 8.478 5.033 -3.175 463 HG23 VAL 59 2HG2 VAL 59 7.320 5.217 -1.857 464 H ASP 60 HN ASP 60 11.180 7.218 0.912 465 HA ASP 60 HA ASP 60 10.454 10.002 1.353 466 HB2 ASP 60 2HB ASP 60 11.649 8.857 3.161 467 HB3 ASP 60 1HB ASP 60 12.977 8.479 2.066 468 H LEU 61 HN LEU 61 10.695 11.369 -0.272 469 HA LEU 61 HA LEU 61 12.808 10.813 -2.253 470 HB2 LEU 61 2HB LEU 61 10.023 11.881 -2.668 471 HB3 LEU 61 1HB LEU 61 11.255 11.847 -3.916 472 HG LEU 61 HG LEU 61 10.159 9.412 -2.512 473 HD11 LEU 61 1HD1 LEU 61 9.063 8.937 -4.652 474 HD12 LEU 61 2HD1 LEU 61 9.598 10.503 -5.263 475 HD13 LEU 61 3HD1 LEU 61 8.466 10.422 -3.913 476 HD21 LEU 61 3HD2 LEU 61 12.006 9.681 -4.879 477 HD22 LEU 61 1HD2 LEU 61 11.359 8.169 -4.241 478 HD23 LEU 61 2HD2 LEU 61 12.461 9.140 -3.264 479 H THR 62 HN THR 62 12.976 12.500 0.088 480 HA THR 62 HA THR 62 12.755 15.233 -0.660 481 HB THR 62 HB THR 62 14.387 15.506 1.347 482 HG1 THR 62 1HG THR 62 13.489 12.931 2.066 483 HG21 THR 62 3HG2 THR 62 12.025 16.005 1.502 484 HG22 THR 62 1HG2 THR 62 12.536 15.124 2.940 485 HG23 THR 62 2HG2 THR 62 11.645 14.290 1.665 486 H GLU 63 HN GLU 63 14.902 12.858 -1.617 487 HA GLU 63 HA GLU 63 17.153 14.649 -2.056 488 HB2 GLU 63 2HB GLU 63 16.782 11.747 -2.794 489 HB3 GLU 63 1HB GLU 63 18.259 12.657 -2.990 490 HG2 GLU 63 2HG GLU 63 18.288 12.987 -0.553 491 HG3 GLU 63 1HG GLU 63 16.912 11.905 -0.441 492 H ALA 64 HN ALA 64 14.363 13.546 -3.692 493 HA ALA 64 HA ALA 64 15.478 13.636 -6.343 494 HB1 ALA 64 1HB ALA 64 13.676 12.077 -5.808 495 HB2 ALA 64 2HB ALA 64 13.205 13.182 -7.100 496 HB3 ALA 64 3HB ALA 64 12.600 13.431 -5.462 497 H GLY 65 HN GLY 65 15.252 15.203 -7.869 498 HA2 GLY 65 2HA GLY 65 14.058 17.729 -6.946 499 HA3 GLY 65 1HA GLY 65 15.460 17.631 -8.004 500 H GLU 66 HN GLU 66 14.713 18.620 -9.776 501 HA GLU 66 HA GLU 66 12.042 18.378 -10.699 502 HB2 GLU 66 2HB GLU 66 12.966 19.588 -12.734 503 HB3 GLU 66 1HB GLU 66 13.099 20.412 -11.187 504 HG2 GLU 66 2HG GLU 66 15.423 19.863 -11.023 505 HG3 GLU 66 1HG GLU 66 15.329 18.840 -12.457 506 H GLY 67 HN GLY 67 11.265 17.454 -12.593 507 HA2 GLY 67 2HA GLY 67 11.458 16.068 -14.517 508 HA3 GLY 67 1HA GLY 67 12.966 15.437 -13.867 509 H SER 68 HN SER 68 11.241 13.608 -14.743 510 HA SER 68 HA SER 68 9.704 12.686 -12.438 511 HB2 SER 68 2HB SER 68 8.694 12.594 -14.704 512 HB3 SER 68 1HB SER 68 9.924 11.428 -15.176 513 HG SER 68 HG SER 68 7.614 11.021 -13.893 514 H HIS 69 HN HIS 69 10.227 10.994 -11.257 515 HA HIS 69 HA HIS 69 12.669 9.499 -11.932 516 HB2 HIS 69 2HB HIS 69 12.009 10.703 -9.230 517 HB3 HIS 69 1HB HIS 69 13.339 9.593 -9.535 518 HD1 HIS 69 1HD HIS 69 15.372 10.507 -10.880 519 HD2 HIS 69 2HD HIS 69 12.460 13.347 -9.994 520 HE1 HIS 69 1HE HIS 69 16.432 12.740 -11.348 521 HE2 HIS 69 2HE HIS 69 14.720 14.440 -10.625 522 H THR 70 HN THR 70 12.603 7.347 -11.477 523 HA THR 70 HA THR 70 10.120 6.393 -10.234 524 HB THR 70 HB THR 70 10.615 5.604 -12.577 525 HG1 THR 70 1HG THR 70 9.443 4.398 -10.740 526 HG21 THR 70 3HG2 THR 70 13.029 5.316 -12.395 527 HG22 THR 70 1HG2 THR 70 12.258 3.796 -12.847 528 HG23 THR 70 2HG2 THR 70 12.801 4.050 -11.187 529 H VAL 71 HN VAL 71 10.154 5.164 -8.466 530 HA VAL 71 HA VAL 71 12.707 4.166 -7.436 531 HB VAL 71 HB VAL 71 12.041 4.909 -5.138 532 HG11 VAL 71 1HG1 VAL 71 13.749 6.126 -6.357 533 HG12 VAL 71 2HG1 VAL 71 12.759 7.243 -5.417 534 HG13 VAL 71 3HG1 VAL 71 12.514 7.099 -7.157 535 HG21 VAL 71 3HG2 VAL 71 10.026 6.583 -6.636 536 HG22 VAL 71 1HG2 VAL 71 10.426 6.746 -4.927 537 HG23 VAL 71 2HG2 VAL 71 9.669 5.267 -5.517 538 H ASP 72 HN ASP 72 12.444 2.477 -5.835 539 HA ASP 72 HA ASP 72 10.043 0.921 -6.266 540 HB2 ASP 72 2HB ASP 72 11.179 -0.829 -4.970 541 HB3 ASP 72 1HB ASP 72 12.201 -0.236 -6.273 542 H VAL 73 HN VAL 73 8.434 0.636 -4.860 543 HA VAL 73 HA VAL 73 8.199 2.556 -2.751 544 HB VAL 73 HB VAL 73 6.300 0.325 -3.502 545 HG11 VAL 73 1HG1 VAL 73 4.611 1.663 -2.340 546 HG12 VAL 73 2HG1 VAL 73 5.850 2.830 -1.879 547 HG13 VAL 73 3HG1 VAL 73 5.909 1.185 -1.245 548 HG21 VAL 73 3HG2 VAL 73 6.344 3.219 -4.345 549 HG22 VAL 73 1HG2 VAL 73 5.080 2.053 -4.734 550 HG23 VAL 73 2HG2 VAL 73 6.710 1.833 -5.373 551 H GLU 74 HN GLU 74 8.536 2.310 -0.649 552 HA GLU 74 HA GLU 74 9.565 -0.222 0.318 553 HB2 GLU 74 2HB GLU 74 10.028 2.507 0.904 554 HB3 GLU 74 1HB GLU 74 9.364 1.783 2.362 555 HG2 GLU 74 2HG GLU 74 11.757 0.773 0.839 556 HG3 GLU 74 1HG GLU 74 11.801 1.716 2.326 557 H HIS 75 HN HIS 75 8.793 -1.180 2.309 558 HA HIS 75 HA HIS 75 5.872 -0.808 2.573 559 HB2 HIS 75 2HB HIS 75 7.293 -3.430 3.019 560 HB3 HIS 75 1HB HIS 75 5.578 -3.151 2.747 561 HD1 HIS 75 1HD HIS 75 8.711 -3.940 1.030 562 HD2 HIS 75 2HD HIS 75 4.962 -2.465 -0.026 563 HE1 HIS 75 1HE HIS 75 8.551 -4.210 -1.468 564 HE2 HIS 75 2HE HIS 75 6.370 -3.121 -2.097 565 H ARG 76 HN ARG 76 4.975 -1.086 4.633 566 HA ARG 76 HA ARG 76 6.645 -1.587 6.926 567 HB2 ARG 76 2HB ARG 76 6.984 0.876 6.139 568 HB3 ARG 76 1HB ARG 76 5.366 1.133 6.770 569 HG2 ARG 76 2HG ARG 76 6.593 1.738 8.581 570 HG3 ARG 76 1HG ARG 76 6.393 0.019 8.925 571 HD2 ARG 76 2HD ARG 76 8.763 1.069 7.407 572 HD3 ARG 76 1HD ARG 76 8.735 1.039 9.167 573 HE ARG 76 HE ARG 76 8.123 -1.504 8.563 574 HH11 ARG 76 1HH1 ARG 76 10.639 0.620 7.345 575 HH12 ARG 76 2HH1 ARG 76 11.801 -0.658 7.139 576 HH21 ARG 76 1HH2 ARG 76 9.659 -3.185 8.312 577 HH22 ARG 76 2HH2 ARG 76 11.247 -2.822 7.697 578 H GLY 77 HN GLY 77 5.361 -1.714 8.889 579 HA2 GLY 77 2HA GLY 77 3.287 -1.412 10.061 580 HA3 GLY 77 1HA GLY 77 2.452 -1.428 8.515 581 H PHE 78 HN PHE 78 2.883 -3.580 7.270 582 HA PHE 78 HA PHE 78 2.037 -5.702 9.056 583 HB2 PHE 78 2HB PHE 78 1.569 -6.969 7.003 584 HB3 PHE 78 1HB PHE 78 0.813 -5.382 6.956 585 HD1 PHE 78 1HD PHE 78 1.859 -3.579 5.565 586 HD2 PHE 78 2HD PHE 78 3.100 -7.644 5.348 587 HE1 PHE 78 1HE PHE 78 2.892 -3.139 3.381 588 HE2 PHE 78 2HE PHE 78 4.143 -7.209 3.159 589 HZ PHE 78 HZ PHE 78 4.034 -4.953 2.175 590 HA PRO 79 HA PRO 79 6.023 -7.640 9.254 591 HB2 PRO 79 2HB PRO 79 4.642 -10.209 9.555 592 HB3 PRO 79 1HB PRO 79 5.655 -9.345 10.714 593 HG2 PRO 79 2HG PRO 79 2.985 -9.589 11.026 594 HG3 PRO 79 1HG PRO 79 3.880 -8.163 11.584 595 HD2 PRO 79 2HD PRO 79 2.205 -8.516 9.127 596 HD3 PRO 79 1HD PRO 79 2.326 -7.119 10.217 597 H GLY 80 HN GLY 80 7.012 -7.708 7.336 598 HA2 GLY 80 2HA GLY 80 5.884 -9.067 5.062 599 HA3 GLY 80 1HA GLY 80 7.425 -8.225 5.120 600 H ASP 81 HN ASP 81 6.144 -10.963 6.960 601 HA ASP 81 HA ASP 81 8.584 -12.465 6.520 602 HB2 ASP 81 2HB ASP 81 7.538 -12.563 8.718 603 HB3 ASP 81 1HB ASP 81 6.049 -13.163 8.004 604 H LEU 82 HN LEU 82 5.333 -12.342 5.366 605 HA LEU 82 HA LEU 82 5.411 -14.920 4.075 606 HB2 LEU 82 2HB LEU 82 3.404 -12.679 3.784 607 HB3 LEU 82 1HB LEU 82 3.212 -14.316 3.193 608 HG LEU 82 HG LEU 82 3.512 -14.947 5.727 609 HD11 LEU 82 1HD1 LEU 82 2.509 -12.108 5.874 610 HD12 LEU 82 2HD1 LEU 82 4.030 -12.718 6.526 611 HD13 LEU 82 3HD1 LEU 82 2.498 -13.268 7.202 612 HD21 LEU 82 3HD2 LEU 82 0.989 -13.755 4.596 613 HD22 LEU 82 1HD2 LEU 82 1.086 -14.839 5.982 614 HD23 LEU 82 2HD2 LEU 82 1.548 -15.414 4.380 615 H ALA 83 HN ALA 83 4.450 -14.698 1.636 616 HA ALA 83 HA ALA 83 6.534 -13.350 0.153 617 HB1 ALA 83 1HB ALA 83 4.130 -14.909 -0.804 618 HB2 ALA 83 2HB ALA 83 5.752 -15.559 -0.569 619 HB3 ALA 83 3HB ALA 83 5.460 -14.350 -1.820 620 H VAL 84 HN VAL 84 6.390 -11.262 -0.308 621 HA VAL 84 HA VAL 84 3.784 -9.969 -0.110 622 HB VAL 84 HB VAL 84 6.514 -8.695 -0.386 623 HG11 VAL 84 1HG1 VAL 84 3.856 -7.519 0.422 624 HG12 VAL 84 2HG1 VAL 84 4.711 -7.228 -1.094 625 HG13 VAL 84 3HG1 VAL 84 5.402 -6.669 0.429 626 HG21 VAL 84 3HG2 VAL 84 4.872 -9.179 2.102 627 HG22 VAL 84 1HG2 VAL 84 6.385 -8.275 2.026 628 HG23 VAL 84 2HG2 VAL 84 6.371 -10.003 1.673 629 H THR 85 HN THR 85 2.644 -9.828 -1.901 630 HA THR 85 HA THR 85 4.038 -9.533 -4.473 631 HB THR 85 HB THR 85 1.112 -10.149 -4.176 632 HG1 THR 85 1HG THR 85 2.926 -11.666 -3.124 633 HG21 THR 85 3HG2 THR 85 1.446 -11.260 -6.332 634 HG22 THR 85 1HG2 THR 85 3.166 -10.866 -6.270 635 HG23 THR 85 2HG2 THR 85 1.969 -9.578 -6.399 636 H VAL 86 HN VAL 86 3.693 -7.708 -5.654 637 HA VAL 86 HA VAL 86 1.816 -5.745 -4.550 638 HB VAL 86 HB VAL 86 4.639 -5.079 -5.382 639 HG11 VAL 86 1HG1 VAL 86 4.161 -2.895 -4.359 640 HG12 VAL 86 2HG1 VAL 86 2.500 -3.413 -4.072 641 HG13 VAL 86 3HG1 VAL 86 3.099 -3.244 -5.723 642 HG21 VAL 86 3HG2 VAL 86 5.122 -4.709 -3.019 643 HG22 VAL 86 1HG2 VAL 86 4.659 -6.385 -3.318 644 HG23 VAL 86 2HG2 VAL 86 3.503 -5.266 -2.597 645 H GLU 87 HN GLU 87 0.822 -4.478 -6.028 646 HA GLU 87 HA GLU 87 1.602 -4.834 -8.841 647 HB2 GLU 87 2HB GLU 87 -0.966 -3.765 -7.622 648 HB3 GLU 87 1HB GLU 87 -0.618 -3.782 -9.347 649 HG2 GLU 87 2HG GLU 87 -1.040 -6.121 -7.514 650 HG3 GLU 87 1HG GLU 87 -1.969 -5.662 -8.941 651 HA PRO 88 HA PRO 88 3.929 -2.343 -10.152 652 HB2 PRO 88 2HB PRO 88 2.791 0.338 -9.653 653 HB3 PRO 88 1HB PRO 88 3.601 -0.291 -11.087 654 HG2 PRO 88 2HG PRO 88 0.766 -0.215 -10.534 655 HG3 PRO 88 1HG PRO 88 1.583 -0.780 -12.002 656 HD2 PRO 88 2HD PRO 88 0.200 -2.452 -10.335 657 HD3 PRO 88 1HD PRO 88 1.607 -2.989 -11.286 658 H ARG 89 HN ARG 89 5.667 -2.234 -9.076 659 HA ARG 89 HA ARG 89 5.624 -1.347 -6.277 660 HB2 ARG 89 2HB ARG 89 7.532 -2.771 -5.926 661 HB3 ARG 89 1HB ARG 89 6.203 -3.680 -6.634 662 HG2 ARG 89 2HG ARG 89 7.309 -3.308 -8.863 663 HG3 ARG 89 1HG ARG 89 8.717 -2.738 -7.951 664 HD2 ARG 89 2HD ARG 89 8.720 -4.822 -6.703 665 HD3 ARG 89 1HD ARG 89 7.362 -5.393 -7.665 666 HE ARG 89 HE ARG 89 10.107 -4.954 -8.638 667 HH11 ARG 89 1HH1 ARG 89 6.903 -6.294 -9.068 668 HH12 ARG 89 2HH1 ARG 89 7.314 -7.172 -10.507 669 HH21 ARG 89 1HH2 ARG 89 10.662 -6.092 -10.537 670 HH22 ARG 89 2HH2 ARG 89 9.465 -7.074 -11.336 671 H MET 90 HN MET 90 6.764 -0.687 -9.348 672 HA MET 90 HA MET 90 8.749 1.220 -8.344 673 HB2 MET 90 2HB MET 90 8.232 0.232 -11.162 674 HB3 MET 90 1HB MET 90 9.472 1.390 -10.706 675 HG2 MET 90 2HG MET 90 9.345 -1.461 -9.750 676 HG3 MET 90 1HG MET 90 10.346 -0.875 -11.077 677 HE1 MET 90 3HE MET 90 12.802 1.560 -9.233 678 HE2 MET 90 1HE MET 90 11.276 1.962 -10.021 679 HE3 MET 90 2HE MET 90 12.383 0.814 -10.775 680 H ALA 91 HN ALA 91 8.190 3.303 -8.329 681 HA ALA 91 HA ALA 91 5.638 3.979 -9.636 682 HB1 ALA 91 1HB ALA 91 6.737 5.057 -7.039 683 HB2 ALA 91 2HB ALA 91 5.447 3.864 -7.195 684 HB3 ALA 91 3HB ALA 91 5.204 5.507 -7.787 685 H ARG 92 HN ARG 92 5.418 6.068 -10.459 686 HA ARG 92 HA ARG 92 7.982 7.355 -11.079 687 HB2 ARG 92 2HB ARG 92 6.947 8.240 -13.062 688 HB3 ARG 92 1HB ARG 92 6.559 6.528 -12.998 689 HG2 ARG 92 2HG ARG 92 4.356 7.145 -12.003 690 HG3 ARG 92 1HG ARG 92 4.758 8.833 -12.307 691 HD2 ARG 92 2HD ARG 92 5.091 8.142 -14.738 692 HD3 ARG 92 1HD ARG 92 4.293 6.633 -14.296 693 HE ARG 92 HE ARG 92 3.054 9.165 -14.740 694 HH11 ARG 92 1HH1 ARG 92 2.772 6.187 -12.891 695 HH12 ARG 92 2HH1 ARG 92 1.069 6.393 -12.583 696 HH21 ARG 92 1HH2 ARG 92 0.809 9.406 -14.377 697 HH22 ARG 92 2HH2 ARG 92 -0.047 8.216 -13.448 698 H VAL 93 HN VAL 93 8.385 9.237 -10.129 699 HA VAL 93 HA VAL 93 6.107 10.867 -9.236 700 HB VAL 93 HB VAL 93 8.653 10.421 -7.659 701 HG11 VAL 93 1HG1 VAL 93 7.812 12.677 -7.387 702 HG12 VAL 93 2HG1 VAL 93 7.529 11.747 -5.916 703 HG13 VAL 93 3HG1 VAL 93 6.199 12.057 -7.032 704 HG21 VAL 93 3HG2 VAL 93 7.187 8.478 -7.554 705 HG22 VAL 93 1HG2 VAL 93 5.833 9.510 -7.095 706 HG23 VAL 93 2HG2 VAL 93 7.209 9.326 -6.008 707 H GLN 94 HN GLN 94 6.178 12.813 -10.095 708 HA GLN 94 HA GLN 94 8.782 13.846 -10.995 709 HB2 GLN 94 2HB GLN 94 7.285 13.740 -12.844 710 HB3 GLN 94 1HB GLN 94 5.965 14.423 -11.906 711 HG2 GLN 94 2HG GLN 94 7.047 16.574 -11.862 712 HG3 GLN 94 1HG GLN 94 8.468 15.914 -12.669 713 HE21 GLN 94 1HE2 GLN 94 8.161 17.543 -14.264 714 HE22 GLN 94 2HE2 GLN 94 6.959 17.347 -15.494 715 H LEU 95 HN LEU 95 9.667 15.298 -9.748 716 HA LEU 95 HA LEU 95 7.934 16.972 -8.066 717 HB2 LEU 95 2HB LEU 95 10.819 16.165 -7.674 718 HB3 LEU 95 1HB LEU 95 9.972 17.326 -6.669 719 HG LEU 95 HG LEU 95 9.300 14.395 -6.945 720 HD11 LEU 95 1HD1 LEU 95 11.309 14.769 -5.649 721 HD12 LEU 95 2HD1 LEU 95 9.984 14.290 -4.588 722 HD13 LEU 95 3HD1 LEU 95 10.481 15.980 -4.671 723 HD21 LEU 95 3HD2 LEU 95 7.672 14.811 -5.163 724 HD22 LEU 95 1HD2 LEU 95 7.287 15.724 -6.621 725 HD23 LEU 95 2HD2 LEU 95 8.029 16.537 -5.242 726 H GLU 96 HN GLU 96 7.930 19.079 -8.404 727 HA GLU 96 HA GLU 96 10.063 20.356 -9.895 728 HB2 GLU 96 2HB GLU 96 8.200 19.286 -11.439 729 HB3 GLU 96 1HB GLU 96 7.295 20.718 -10.972 730 HG2 GLU 96 2HG GLU 96 8.845 22.161 -11.979 731 HG3 GLU 96 1HG GLU 96 10.057 20.887 -12.122 732 H GLU 97 HN GLU 97 10.046 22.622 -9.630 733 HA GLU 97 HA GLU 97 9.390 23.631 -7.211 734 HB2 GLU 97 2HB GLU 97 10.280 24.724 -9.656 735 HB3 GLU 97 1HB GLU 97 8.952 25.740 -9.107 736 HG2 GLU 97 2HG GLU 97 11.424 25.028 -7.547 737 HG3 GLU 97 1HG GLU 97 11.050 26.590 -8.274 738 H ARG 98 HN ARG 98 7.677 24.448 -6.166 739 HA ARG 98 HA ARG 98 5.355 23.089 -6.664 740 HB2 ARG 98 2HB ARG 98 4.566 23.946 -4.696 741 HB3 ARG 98 1HB ARG 98 6.289 24.109 -4.501 742 HG2 ARG 98 2HG ARG 98 4.566 26.366 -5.453 743 HG3 ARG 98 1HG ARG 98 4.861 26.044 -3.747 744 HD2 ARG 98 2HD ARG 98 6.878 26.748 -5.865 745 HD3 ARG 98 1HD ARG 98 6.417 27.706 -4.458 746 HE ARG 98 HE ARG 98 8.357 25.625 -4.563 747 HH11 ARG 98 1HH1 ARG 98 5.937 27.047 -2.450 748 HH12 ARG 98 2HH1 ARG 98 6.788 26.630 -0.991 749 HH21 ARG 98 1HH2 ARG 98 9.478 25.109 -2.645 750 HH22 ARG 98 2HH2 ARG 98 8.807 25.545 -1.105 751 H GLN 99 HN GLN 99 3.308 23.592 -7.157 752 HA GLN 99 HA GLN 99 2.837 26.108 -8.592 753 HB2 GLN 99 2HB GLN 99 3.286 24.260 -10.193 754 HB3 GLN 99 1HB GLN 99 1.942 23.365 -9.503 755 HG2 GLN 99 2HG GLN 99 0.392 25.080 -10.256 756 HG3 GLN 99 1HG GLN 99 1.737 26.025 -10.897 757 HE21 GLN 99 1HE2 GLN 99 0.912 25.963 -12.993 758 HE22 GLN 99 2HE2 GLN 99 0.981 24.525 -13.959 759 H THR 100 HN THR 100 0.777 23.301 -8.144 760 HA THR 100 HA THR 100 -0.576 24.175 -5.822 761 HB THR 100 HB THR 100 -2.843 24.294 -7.278 762 HG1 THR 100 1HG THR 100 -1.535 24.316 -9.246 763 HG21 THR 100 3HG2 THR 100 -2.807 26.724 -6.951 764 HG22 THR 100 1HG2 THR 100 -1.076 26.652 -6.619 765 HG23 THR 100 2HG2 THR 100 -2.217 25.867 -5.527 766 H VAL 101 HN VAL 101 -0.352 22.052 -5.183 767 HA VAL 101 HA VAL 101 -1.291 19.920 -6.909 768 HB VAL 101 HB VAL 101 0.766 19.669 -5.520 769 HG11 VAL 101 1HG1 VAL 101 0.550 19.204 -3.129 770 HG12 VAL 101 2HG1 VAL 101 -1.169 19.589 -3.211 771 HG13 VAL 101 3HG1 VAL 101 0.032 20.843 -3.524 772 HG21 VAL 101 3HG2 VAL 101 -1.440 17.693 -4.959 773 HG22 VAL 101 1HG2 VAL 101 0.286 17.385 -4.760 774 HG23 VAL 101 2HG2 VAL 101 -0.373 17.706 -6.364 775 H SER 102 HN SER 102 -3.031 18.591 -6.531 776 HA SER 102 HA SER 102 -4.831 19.361 -4.330 777 HB2 SER 102 2HB SER 102 -6.706 18.564 -5.781 778 HB3 SER 102 1HB SER 102 -5.863 19.961 -6.444 779 HG SER 102 HG SER 102 -4.564 18.120 -7.536 780 H VAL 103 HN VAL 103 -5.894 17.642 -3.229 781 HA VAL 103 HA VAL 103 -4.318 15.182 -3.346 782 HB VAL 103 HB VAL 103 -5.364 14.669 -1.122 783 HG11 VAL 103 1HG1 VAL 103 -3.133 15.648 -1.317 784 HG12 VAL 103 2HG1 VAL 103 -3.971 16.258 0.110 785 HG13 VAL 103 3HG1 VAL 103 -3.837 17.265 -1.332 786 HG21 VAL 103 3HG2 VAL 103 -6.375 17.504 -1.357 787 HG22 VAL 103 1HG2 VAL 103 -6.423 16.513 0.101 788 HG23 VAL 103 2HG2 VAL 103 -7.367 16.047 -1.314 789 HA PRO 104 HA PRO 104 -7.993 13.140 -4.915 790 HB2 PRO 104 2HB PRO 104 -6.592 11.415 -6.493 791 HB3 PRO 104 1HB PRO 104 -7.007 13.059 -6.979 792 HG2 PRO 104 2HG PRO 104 -4.397 11.954 -6.371 793 HG3 PRO 104 1HG PRO 104 -4.799 13.542 -7.039 794 HD2 PRO 104 2HD PRO 104 -4.165 12.793 -4.271 795 HD3 PRO 104 1HD PRO 104 -4.164 14.397 -5.031 796 H VAL 105 HN VAL 105 -7.686 12.516 -2.463 797 HA VAL 105 HA VAL 105 -6.448 9.917 -2.097 798 HB VAL 105 HB VAL 105 -5.986 11.525 -0.376 799 HG11 VAL 105 1HG1 VAL 105 -7.926 12.962 -0.612 800 HG12 VAL 105 2HG1 VAL 105 -7.735 12.458 1.068 801 HG13 VAL 105 3HG1 VAL 105 -8.962 11.700 0.053 802 HG21 VAL 105 3HG2 VAL 105 -7.881 9.405 0.621 803 HG22 VAL 105 1HG2 VAL 105 -6.739 10.302 1.622 804 HG23 VAL 105 2HG2 VAL 105 -6.147 9.223 0.358 805 H THR 106 HN THR 106 -7.547 8.152 -2.533 806 HA THR 106 HA THR 106 -10.424 8.074 -1.998 807 HB THR 106 HB THR 106 -10.243 5.839 -3.257 808 HG1 THR 106 1HG THR 106 -8.236 5.309 -3.675 809 HG21 THR 106 3HG2 THR 106 -11.234 7.839 -4.249 810 HG22 THR 106 1HG2 THR 106 -10.296 6.948 -5.448 811 HG23 THR 106 2HG2 THR 106 -9.634 8.411 -4.719 812 H VAL 107 HN VAL 107 -10.801 7.531 0.042 813 HA VAL 107 HA VAL 107 -8.967 6.033 1.623 814 HB VAL 107 HB VAL 107 -11.857 6.669 2.243 815 HG11 VAL 107 1HG1 VAL 107 -9.537 5.998 4.046 816 HG12 VAL 107 2HG1 VAL 107 -10.919 4.961 3.696 817 HG13 VAL 107 3HG1 VAL 107 -11.149 6.470 4.579 818 HG21 VAL 107 3HG2 VAL 107 -9.365 8.260 2.841 819 HG22 VAL 107 1HG2 VAL 107 -10.987 8.637 3.419 820 HG23 VAL 107 2HG2 VAL 107 -10.629 8.700 1.692 821 H GLU 108 HN GLU 108 -12.310 5.299 0.649 822 HA GLU 108 HA GLU 108 -13.394 3.387 0.138 823 HB2 GLU 108 2HB GLU 108 -11.454 3.009 -1.369 824 HB3 GLU 108 1HB GLU 108 -10.659 2.125 -0.077 825 HG2 GLU 108 2HG GLU 108 -12.232 0.381 -0.162 826 HG3 GLU 108 1HG GLU 108 -13.343 1.326 -1.154 827 H MET 109 HN MET 109 -14.267 1.579 1.176 828 HA MET 109 HA MET 109 -13.002 0.778 3.704 829 HB2 MET 109 2HB MET 109 -14.683 2.497 4.237 830 HB3 MET 109 1HB MET 109 -15.911 1.561 3.396 831 HG2 MET 109 2HG MET 109 -15.602 -0.260 5.017 832 HG3 MET 109 1HG MET 109 -14.416 0.723 5.871 833 HE1 MET 109 3HE MET 109 -16.638 3.713 7.130 834 HE2 MET 109 1HE MET 109 -15.716 3.618 5.632 835 HE3 MET 109 2HE MET 109 -15.020 3.006 7.131 836 H ILE 110 HN ILE 110 -13.240 -1.344 4.222 837 HA ILE 110 HA ILE 110 -14.496 -3.028 2.186 838 HB ILE 110 HB ILE 110 -13.251 -4.886 3.231 839 HG12 ILE 110 2HG1 ILE 110 -12.032 -2.730 4.973 840 HG13 ILE 110 1HG1 ILE 110 -13.167 -3.955 5.527 841 HG21 ILE 110 1HG2 ILE 110 -11.560 -2.506 2.484 842 HG22 ILE 110 2HG2 ILE 110 -12.267 -3.676 1.370 843 HG23 ILE 110 3HG2 ILE 110 -11.015 -4.183 2.505 844 HD11 ILE 110 3HD1 ILE 110 -10.400 -4.451 4.449 845 HD12 ILE 110 1HD1 ILE 110 -11.538 -5.696 4.960 846 HD13 ILE 110 2HD1 ILE 110 -10.905 -4.547 6.137 847 H ASN 111 HN ASN 111 -15.570 -5.049 2.975 848 HA ASN 111 HA ASN 111 -16.897 -4.707 5.577 849 HB2 ASN 111 2HB ASN 111 -18.411 -3.963 3.720 850 HB3 ASN 111 1HB ASN 111 -18.325 -5.593 3.061 851 HD21 ASN 111 1HD2 ASN 111 -19.416 -3.639 5.733 852 HD22 ASN 111 2HD2 ASN 111 -20.593 -4.764 6.323 853 H LEU 112 HN LEU 112 -17.046 -6.542 6.760 854 HA LEU 112 HA LEU 112 -15.617 -8.833 5.678 855 HB2 LEU 112 2HB LEU 112 -14.987 -7.931 7.875 856 HB3 LEU 112 1HB LEU 112 -16.594 -8.284 8.479 857 HG LEU 112 HG LEU 112 -16.174 -10.700 8.093 858 HD11 LEU 112 1HD1 LEU 112 -13.889 -11.457 7.677 859 HD12 LEU 112 2HD1 LEU 112 -13.371 -9.785 7.464 860 HD13 LEU 112 3HD1 LEU 112 -14.508 -10.507 6.327 861 HD21 LEU 112 3HD2 LEU 112 -15.815 -9.692 10.291 862 HD22 LEU 112 1HD2 LEU 112 -14.146 -9.328 9.852 863 HD23 LEU 112 2HD2 LEU 112 -14.677 -11.005 9.987 864 H GLU 113 HN GLU 113 -17.093 -9.815 4.318 865 HA GLU 113 HA GLU 113 -19.502 -10.916 5.553 866 HB2 GLU 113 2HB GLU 113 -18.502 -10.947 2.708 867 HB3 GLU 113 1HB GLU 113 -19.901 -11.867 3.240 868 HG2 GLU 113 2HG GLU 113 -20.864 -9.659 4.031 869 HG3 GLU 113 1HG GLU 113 -19.568 -8.892 3.110 870 H HIS 114 HN HIS 114 -19.822 -13.069 5.891 871 HA HIS 114 HA HIS 114 -18.260 -15.162 4.891 872 HB2 HIS 114 2HB HIS 114 -16.531 -14.106 6.424 873 HB3 HIS 114 1HB HIS 114 -17.566 -14.563 7.774 874 HD1 HIS 114 1HD HIS 114 -17.546 -16.997 8.512 875 HD2 HIS 114 2HD HIS 114 -15.314 -16.300 5.068 876 HE1 HIS 114 1HE HIS 114 -16.252 -19.118 8.096 877 HE2 HIS 114 2HE HIS 114 -15.021 -18.727 5.930 878 H HIS 115 HN HIS 115 -20.269 -13.902 7.456 879 HA HIS 115 HA HIS 115 -21.313 -16.292 8.478 880 HB2 HIS 115 2HB HIS 115 -21.679 -14.124 9.563 881 HB3 HIS 115 1HB HIS 115 -22.623 -13.572 8.186 882 HD1 HIS 115 1HD HIS 115 -25.065 -13.731 8.503 883 HD2 HIS 115 2HD HIS 115 -23.013 -16.519 10.822 884 HE1 HIS 115 1HE HIS 115 -26.822 -14.912 9.871 885 HE2 HIS 115 2HE HIS 115 -25.541 -16.473 11.382 886 H HIS 116 HN HIS 116 -22.228 -17.857 7.296 887 HA HIS 116 HA HIS 116 -23.428 -17.186 4.740 888 HB2 HIS 116 2HB HIS 116 -21.854 -19.107 4.974 889 HB3 HIS 116 1HB HIS 116 -23.040 -19.913 5.995 890 HD1 HIS 116 1HD HIS 116 -24.217 -21.663 4.711 891 HD2 HIS 116 2HD HIS 116 -23.329 -18.345 2.358 892 HE1 HIS 116 1HE HIS 116 -25.164 -22.167 2.432 893 HE2 HIS 116 2HE HIS 116 -24.513 -20.198 0.992 894 H HIS 117 HN HIS 117 -25.184 -16.029 5.744 895 HA HIS 117 HA HIS 117 -27.589 -17.404 5.481 896 HB2 HIS 117 2HB HIS 117 -26.766 -18.183 7.851 897 HB3 HIS 117 1HB HIS 117 -27.285 -16.578 8.355 898 HD1 HIS 117 1HD HIS 117 -29.840 -16.114 8.399 899 HD2 HIS 117 2HD HIS 117 -28.811 -19.956 7.175 900 HE1 HIS 117 1HE HIS 117 -31.974 -17.442 8.456 901 HE2 HIS 117 2HE HIS 117 -31.276 -19.812 7.946 902 H HIS 118 HN HIS 118 -27.362 -15.461 4.134 903 HA HIS 118 HA HIS 118 -27.594 -12.891 5.460 904 HB2 HIS 118 2HB HIS 118 -26.231 -13.262 3.370 905 HB3 HIS 118 1HB HIS 118 -27.740 -13.514 2.501 906 HD1 HIS 118 1HD HIS 118 -28.033 -11.493 1.089 907 HD2 HIS 118 2HD HIS 118 -26.770 -10.541 4.940 908 HE1 HIS 118 1HE HIS 118 -28.020 -8.976 1.202 909 HE2 HIS 118 2HE HIS 118 -27.125 -8.424 3.499 910 H HIS 119 HN HIS 119 -29.594 -15.270 3.969 911 HA HIS 119 HA HIS 119 -31.960 -13.688 4.667 912 HB2 HIS 119 2HB HIS 119 -31.566 -13.525 2.195 913 HB3 HIS 119 1HB HIS 119 -31.714 -15.277 2.100 914 HD1 HIS 119 1HD HIS 119 -34.103 -16.290 2.435 915 HD2 HIS 119 2HD HIS 119 -33.953 -12.132 2.474 916 HE1 HIS 119 1HE HIS 119 -36.484 -15.520 2.188 917 HE2 HIS 119 2HE HIS 119 -36.365 -13.003 2.132 Start of MODEL 2 1 H1 MET 1 H1 MET 1 3.493 -30.025 -9.995 2 H2 MET 1 H2 MET 1 2.900 -29.155 -11.326 3 H3 MET 1 H3 MET 1 1.853 -29.596 -10.062 4 HA MET 1 HA MET 1 4.176 -27.788 -9.765 5 HB2 MET 1 2HB MET 1 2.532 -25.964 -9.596 6 HB3 MET 1 1HB MET 1 2.504 -26.724 -11.178 7 HG2 MET 1 2HG MET 1 0.499 -27.955 -10.566 8 HG3 MET 1 1HG MET 1 0.538 -27.231 -8.959 9 HE1 MET 1 2HE MET 1 -2.002 -27.172 -10.893 10 HE2 MET 1 3HE MET 1 -2.548 -25.506 -10.693 11 HE3 MET 1 1HE MET 1 -2.006 -26.430 -9.291 12 HA PRO 2 HA PRO 2 3.681 -28.586 -5.486 13 HB2 PRO 2 2HB PRO 2 4.523 -25.870 -4.838 14 HB3 PRO 2 1HB PRO 2 5.387 -27.390 -4.607 15 HG2 PRO 2 2HG PRO 2 6.141 -25.532 -6.432 16 HG3 PRO 2 1HG PRO 2 6.416 -27.270 -6.652 17 HD2 PRO 2 2HD PRO 2 4.303 -25.517 -7.835 18 HD3 PRO 2 1HD PRO 2 5.224 -26.836 -8.588 19 H THR 3 HN THR 3 1.379 -28.683 -5.427 20 HA THR 3 HA THR 3 -0.013 -26.226 -4.706 21 HB THR 3 HB THR 3 -2.041 -27.717 -4.681 22 HG1 THR 3 1HG THR 3 -0.754 -29.692 -4.455 23 HG21 THR 3 3HG2 THR 3 -1.504 -26.305 -6.600 24 HG22 THR 3 1HG2 THR 3 -2.195 -27.840 -7.131 25 HG23 THR 3 2HG2 THR 3 -0.456 -27.567 -7.247 26 H PHE 4 HN PHE 4 0.336 -25.690 -2.671 27 HA PHE 4 HA PHE 4 0.165 -27.738 -0.595 28 HB2 PHE 4 2HB PHE 4 1.425 -25.015 -0.531 29 HB3 PHE 4 1HB PHE 4 1.401 -26.147 0.795 30 HD1 PHE 4 2HD PHE 4 2.257 -28.616 -0.043 31 HD2 PHE 4 1HD PHE 4 3.430 -24.831 -1.600 32 HE1 PHE 4 2HE PHE 4 4.349 -29.609 -0.873 33 HE2 PHE 4 1HE PHE 4 5.522 -25.818 -2.434 34 HZ PHE 4 HZ PHE 4 5.987 -28.209 -2.071 35 H ASP 5 HN ASP 5 -0.600 -26.614 1.583 36 HA ASP 5 HA ASP 5 -3.181 -25.416 0.985 37 HB2 ASP 5 2HB ASP 5 -2.830 -27.290 2.695 38 HB3 ASP 5 1HB ASP 5 -2.106 -26.063 3.730 39 H HIS 6 HN HIS 6 -1.367 -23.708 0.204 40 HA HIS 6 HA HIS 6 -0.734 -21.793 2.310 41 HB2 HIS 6 2HB HIS 6 0.215 -22.367 -0.394 42 HB3 HIS 6 1HB HIS 6 -0.052 -20.649 -0.133 43 HD1 HIS 6 1HD HIS 6 1.503 -23.323 2.128 44 HD2 HIS 6 2HD HIS 6 2.346 -19.600 0.459 45 HE1 HIS 6 1HE HIS 6 3.766 -22.672 3.012 46 HE2 HIS 6 2HE HIS 6 4.233 -20.387 2.050 47 H GLY 7 HN GLY 7 -1.560 -19.675 2.351 48 HA2 GLY 7 2HA GLY 7 -4.033 -19.371 0.767 49 HA3 GLY 7 1HA GLY 7 -3.893 -18.854 2.442 50 H ASN 8 HN ASN 8 -4.759 -17.159 0.507 51 HA ASN 8 HA ASN 8 -2.530 -15.239 0.319 52 HB2 ASN 8 2HB ASN 8 -4.966 -15.530 -1.448 53 HB3 ASN 8 1HB ASN 8 -3.898 -14.140 -1.487 54 HD21 ASN 8 1HD2 ASN 8 -1.981 -14.251 -2.526 55 HD22 ASN 8 2HD2 ASN 8 -1.458 -15.640 -3.424 56 H LEU 9 HN LEU 9 -3.139 -13.031 0.623 57 HA LEU 9 HA LEU 9 -5.766 -12.502 1.768 58 HB2 LEU 9 2HB LEU 9 -4.282 -13.079 3.682 59 HB3 LEU 9 1HB LEU 9 -3.209 -11.776 3.211 60 HG LEU 9 HG LEU 9 -5.022 -10.148 3.630 61 HD11 LEU 9 1HD1 LEU 9 -6.920 -11.623 3.218 62 HD12 LEU 9 2HD1 LEU 9 -7.033 -10.864 4.805 63 HD13 LEU 9 3HD1 LEU 9 -6.525 -12.546 4.669 64 HD21 LEU 9 3HD2 LEU 9 -4.381 -11.972 5.948 65 HD22 LEU 9 1HD2 LEU 9 -4.985 -10.322 6.076 66 HD23 LEU 9 2HD2 LEU 9 -3.397 -10.626 5.375 67 H SER 10 HN SER 10 -6.516 -10.739 0.838 68 HA SER 10 HA SER 10 -4.609 -9.023 -0.566 69 HB2 SER 10 2HB SER 10 -7.603 -9.281 -0.957 70 HB3 SER 10 1HB SER 10 -6.485 -8.378 -1.981 71 HG SER 10 HG SER 10 -5.412 -10.680 -1.967 72 H LEU 11 HN LEU 11 -4.059 -7.256 0.494 73 HA LEU 11 HA LEU 11 -5.753 -6.057 2.491 74 HB2 LEU 11 2HB LEU 11 -3.221 -4.984 1.237 75 HB3 LEU 11 1HB LEU 11 -3.966 -4.413 2.716 76 HG LEU 11 HG LEU 11 -2.799 -7.176 2.362 77 HD11 LEU 11 1HD1 LEU 11 -0.951 -6.362 3.743 78 HD12 LEU 11 2HD1 LEU 11 -1.642 -4.741 3.715 79 HD13 LEU 11 3HD1 LEU 11 -1.057 -5.477 2.222 80 HD21 LEU 11 3HD2 LEU 11 -3.720 -5.693 4.822 81 HD22 LEU 11 1HD2 LEU 11 -2.972 -7.289 4.792 82 HD23 LEU 11 2HD2 LEU 11 -4.559 -7.044 4.057 83 H GLY 12 HN GLY 12 -5.419 -5.901 -0.856 84 HA2 GLY 12 2HA GLY 12 -6.889 -4.777 -2.299 85 HA3 GLY 12 1HA GLY 12 -7.285 -3.666 -0.992 86 H GLU 13 HN GLU 13 -6.971 -2.032 -2.705 87 HA GLU 13 HA GLU 13 -4.188 -1.452 -3.270 88 HB2 GLU 13 2HB GLU 13 -6.729 -0.034 -4.055 89 HB3 GLU 13 1HB GLU 13 -5.117 0.505 -4.507 90 HG2 GLU 13 2HG GLU 13 -4.756 -1.661 -5.629 91 HG3 GLU 13 1HG GLU 13 -6.423 -2.091 -5.266 92 H LEU 14 HN LEU 14 -2.991 -0.364 -1.937 93 HA LEU 14 HA LEU 14 -4.254 1.277 0.132 94 HB2 LEU 14 2HB LEU 14 -1.399 0.358 -0.202 95 HB3 LEU 14 1HB LEU 14 -1.987 1.320 1.136 96 HG LEU 14 HG LEU 14 -2.861 -1.492 0.488 97 HD11 LEU 14 1HD1 LEU 14 -1.646 -2.091 2.521 98 HD12 LEU 14 2HD1 LEU 14 -1.103 -0.421 2.689 99 HD13 LEU 14 3HD1 LEU 14 -0.572 -1.387 1.313 100 HD21 LEU 14 3HD2 LEU 14 -4.001 -1.391 2.651 101 HD22 LEU 14 1HD2 LEU 14 -4.647 -0.205 1.519 102 HD23 LEU 14 2HD2 LEU 14 -3.555 0.307 2.806 103 H GLU 15 HN GLU 15 -3.616 3.436 0.490 104 HA GLU 15 HA GLU 15 -3.029 4.919 -1.874 105 HB2 GLU 15 2HB GLU 15 -3.217 5.740 1.031 106 HB3 GLU 15 1HB GLU 15 -2.922 6.877 -0.273 107 HG2 GLU 15 2HG GLU 15 -5.225 6.990 0.260 108 HG3 GLU 15 1HG GLU 15 -5.091 6.157 -1.285 109 H LEU 16 HN LEU 16 -1.140 5.655 -2.612 110 HA LEU 16 HA LEU 16 1.270 4.655 -1.364 111 HB2 LEU 16 2HB LEU 16 0.692 4.697 -3.876 112 HB3 LEU 16 1HB LEU 16 1.092 6.398 -3.817 113 HG LEU 16 HG LEU 16 2.913 4.921 -4.686 114 HD11 LEU 16 1HD1 LEU 16 3.555 6.460 -2.178 115 HD12 LEU 16 2HD1 LEU 16 3.443 7.121 -3.809 116 HD13 LEU 16 3HD1 LEU 16 4.716 5.969 -3.410 117 HD21 LEU 16 3HD2 LEU 16 4.205 3.610 -3.079 118 HD22 LEU 16 1HD2 LEU 16 2.557 3.007 -3.240 119 HD23 LEU 16 2HD2 LEU 16 3.010 3.967 -1.832 120 H THR 17 HN THR 17 2.213 5.753 0.195 121 HA THR 17 HA THR 17 1.724 8.606 0.482 122 HB THR 17 HB THR 17 3.315 6.773 2.294 123 HG1 THR 17 1HG THR 17 0.889 6.386 1.803 124 HG21 THR 17 3HG2 THR 17 1.961 9.428 2.812 125 HG22 THR 17 1HG2 THR 17 3.700 9.185 2.626 126 HG23 THR 17 2HG2 THR 17 2.849 8.467 3.994 127 H VAL 18 HN VAL 18 3.111 10.099 -0.217 128 HA VAL 18 HA VAL 18 5.799 9.212 -1.004 129 HB VAL 18 HB VAL 18 4.311 11.684 -1.915 130 HG11 VAL 18 1HG1 VAL 18 6.066 11.829 -3.626 131 HG12 VAL 18 2HG1 VAL 18 6.887 10.453 -2.889 132 HG13 VAL 18 3HG1 VAL 18 6.723 11.965 -1.995 133 HG21 VAL 18 3HG2 VAL 18 4.053 10.503 -4.055 134 HG22 VAL 18 1HG2 VAL 18 3.215 9.683 -2.739 135 HG23 VAL 18 2HG2 VAL 18 4.754 9.057 -3.329 136 H LEU 19 HN LEU 19 7.316 9.688 0.401 137 HA LEU 19 HA LEU 19 7.059 12.068 2.093 138 HB2 LEU 19 2HB LEU 19 9.026 9.772 2.220 139 HB3 LEU 19 1HB LEU 19 8.928 11.094 3.367 140 HG LEU 19 HG LEU 19 6.778 9.022 2.896 141 HD11 LEU 19 1HD1 LEU 19 7.387 8.204 5.110 142 HD12 LEU 19 2HD1 LEU 19 8.680 9.399 5.202 143 HD13 LEU 19 3HD1 LEU 19 8.755 8.110 4.002 144 HD21 LEU 19 3HD2 LEU 19 5.715 10.007 4.874 145 HD22 LEU 19 1HD2 LEU 19 5.842 11.173 3.556 146 HD23 LEU 19 2HD2 LEU 19 6.960 11.256 4.918 147 H TYR 20 HN TYR 20 8.085 13.858 1.497 148 HA TYR 20 HA TYR 20 10.525 13.674 -0.088 149 HB2 TYR 20 2HB TYR 20 9.683 15.041 -1.903 150 HB3 TYR 20 1HB TYR 20 8.646 13.631 -1.729 151 HD1 TYR 20 1HD TYR 20 6.568 14.072 -0.071 152 HD2 TYR 20 2HD TYR 20 8.655 17.059 -2.262 153 HE1 TYR 20 1HE TYR 20 4.595 15.533 0.052 154 HE2 TYR 20 2HE TYR 20 6.693 18.531 -2.141 155 HH TYR 20 HH TYR 20 4.069 17.932 -0.076 156 H ASP 21 HN ASP 21 11.110 16.111 -0.716 157 HA ASP 21 HA ASP 21 11.039 17.606 1.776 158 HB2 ASP 21 2HB ASP 21 13.152 17.339 0.409 159 HB3 ASP 21 1HB ASP 21 12.408 18.368 -0.813 160 H GLU 22 HN GLU 22 9.296 18.818 2.107 161 HA GLU 22 HA GLU 22 7.755 19.715 -0.199 162 HB2 GLU 22 2HB GLU 22 6.011 20.251 1.593 163 HB3 GLU 22 1HB GLU 22 6.381 18.561 1.289 164 HG2 GLU 22 2HG GLU 22 6.249 18.719 3.601 165 HG3 GLU 22 1HG GLU 22 7.974 18.727 3.276 166 H GLU 23 HN GLU 23 10.219 20.987 1.281 167 HA GLU 23 HA GLU 23 9.392 23.576 2.040 168 HB2 GLU 23 2HB GLU 23 12.012 22.340 1.275 169 HB3 GLU 23 1HB GLU 23 11.889 24.079 1.503 170 HG2 GLU 23 2HG GLU 23 10.877 22.242 3.619 171 HG3 GLU 23 1HG GLU 23 12.608 22.549 3.470 172 H ARG 24 HN ARG 24 10.823 22.383 -1.022 173 HA ARG 24 HA ARG 24 10.102 24.972 -2.241 174 HB2 ARG 24 2HB ARG 24 12.466 23.289 -2.428 175 HB3 ARG 24 1HB ARG 24 11.804 23.662 -4.011 176 HG2 ARG 24 2HG ARG 24 13.320 25.364 -3.669 177 HG3 ARG 24 1HG ARG 24 11.792 26.101 -3.195 178 HD2 ARG 24 2HD ARG 24 13.736 24.851 -1.263 179 HD3 ARG 24 1HD ARG 24 13.710 26.566 -1.662 180 HE ARG 24 HE ARG 24 11.189 25.526 -0.722 181 HH11 ARG 24 1HH1 ARG 24 14.238 26.995 0.140 182 HH12 ARG 24 2HH1 ARG 24 13.691 27.559 1.691 183 HH21 ARG 24 1HH2 ARG 24 10.435 26.279 1.308 184 HH22 ARG 24 2HH2 ARG 24 11.514 27.140 2.364 185 H TYR 25 HN TYR 25 10.303 21.499 -3.005 186 HA TYR 25 HA TYR 25 8.797 21.927 -5.441 187 HB2 TYR 25 2HB TYR 25 9.821 19.344 -4.248 188 HB3 TYR 25 1HB TYR 25 9.190 19.555 -5.876 189 HD1 TYR 25 1HD TYR 25 10.449 21.528 -7.218 190 HD2 TYR 25 2HD TYR 25 12.106 19.262 -4.022 191 HE1 TYR 25 1HE TYR 25 12.712 22.061 -8.021 192 HE2 TYR 25 2HE TYR 25 14.371 19.791 -4.811 193 HH TYR 25 HH TYR 25 15.057 22.204 -6.997 194 H ASP 26 HN ASP 26 6.940 20.643 -5.995 195 HA ASP 26 HA ASP 26 5.334 19.676 -3.736 196 HB2 ASP 26 2HB ASP 26 4.473 21.886 -4.216 197 HB3 ASP 26 1HB ASP 26 4.420 21.542 -5.940 198 H ILE 27 HN ILE 27 3.703 18.134 -4.376 199 HA ILE 27 HA ILE 27 4.751 16.341 -6.371 200 HB ILE 27 HB ILE 27 2.260 16.075 -4.677 201 HG12 ILE 27 2HG1 ILE 27 5.017 14.884 -4.301 202 HG13 ILE 27 1HG1 ILE 27 4.331 16.197 -3.347 203 HG21 ILE 27 1HG2 ILE 27 2.151 14.704 -6.680 204 HG22 ILE 27 2HG2 ILE 27 2.378 13.695 -5.251 205 HG23 ILE 27 3HG2 ILE 27 3.740 14.026 -6.322 206 HD11 ILE 27 3HD1 ILE 27 2.598 14.694 -2.528 207 HD12 ILE 27 1HD1 ILE 27 4.211 14.078 -2.169 208 HD13 ILE 27 2HD1 ILE 27 3.275 13.382 -3.493 209 H VAL 28 HN VAL 28 4.317 16.665 -8.449 210 HA VAL 28 HA VAL 28 1.773 17.862 -9.244 211 HB VAL 28 HB VAL 28 4.140 17.040 -10.946 212 HG11 VAL 28 1HG1 VAL 28 2.057 17.063 -12.212 213 HG12 VAL 28 2HG1 VAL 28 3.100 18.403 -12.693 214 HG13 VAL 28 3HG1 VAL 28 1.715 18.695 -11.640 215 HG21 VAL 28 3HG2 VAL 28 4.690 18.841 -9.394 216 HG22 VAL 28 1HG2 VAL 28 3.297 19.762 -9.956 217 HG23 VAL 28 2HG2 VAL 28 4.637 19.432 -11.054 218 H GLU 29 HN GLU 29 3.660 14.919 -9.787 219 HA GLU 29 HA GLU 29 1.177 13.493 -10.450 220 HB2 GLU 29 2HB GLU 29 3.814 13.096 -11.878 221 HB3 GLU 29 1HB GLU 29 2.302 12.275 -12.226 222 HG2 GLU 29 2HG GLU 29 2.678 15.240 -12.519 223 HG3 GLU 29 1HG GLU 29 2.960 14.089 -13.823 224 H GLN 30 HN GLN 30 1.236 11.238 -9.917 225 HA GLN 30 HA GLN 30 3.537 9.962 -8.873 226 HB2 GLN 30 2HB GLN 30 2.976 9.800 -6.533 227 HB3 GLN 30 1HB GLN 30 3.069 11.504 -6.963 228 HG2 GLN 30 2HG GLN 30 0.731 11.753 -6.906 229 HG3 GLN 30 1HG GLN 30 0.468 10.008 -6.900 230 HE21 GLN 30 1HE2 GLN 30 0.765 8.851 -4.987 231 HE22 GLN 30 2HE2 GLN 30 0.853 9.635 -3.447 232 H THR 31 HN THR 31 2.990 7.823 -7.924 233 HA THR 31 HA THR 31 0.732 6.559 -9.141 234 HB THR 31 HB THR 31 2.439 5.466 -6.897 235 HG1 THR 31 1HG THR 31 2.944 5.564 -9.714 236 HG21 THR 31 3HG2 THR 31 1.898 3.301 -7.906 237 HG22 THR 31 1HG2 THR 31 0.950 4.110 -9.152 238 HG23 THR 31 2HG2 THR 31 0.427 4.175 -7.467 239 H GLU 32 HN GLU 32 -1.272 6.288 -8.293 240 HA GLU 32 HA GLU 32 -1.890 7.680 -5.849 241 HB2 GLU 32 2HB GLU 32 -3.647 6.121 -7.744 242 HB3 GLU 32 1HB GLU 32 -4.238 7.022 -6.354 243 HG2 GLU 32 2HG GLU 32 -3.227 9.070 -7.359 244 HG3 GLU 32 1HG GLU 32 -2.881 8.113 -8.802 245 H THR 33 HN THR 33 -2.703 4.377 -6.921 246 HA THR 33 HA THR 33 -2.392 3.509 -4.128 247 HB THR 33 HB THR 33 -4.322 1.944 -4.534 248 HG1 THR 33 1HG THR 33 -4.895 1.878 -6.588 249 HG21 THR 33 3HG2 THR 33 -6.052 3.632 -4.136 250 HG22 THR 33 1HG2 THR 33 -4.947 4.898 -4.675 251 HG23 THR 33 2HG2 THR 33 -4.595 3.984 -3.208 252 H VAL 34 HN VAL 34 -1.836 1.296 -3.839 253 HA VAL 34 HA VAL 34 -0.969 -0.102 -6.293 254 HB VAL 34 HB VAL 34 0.325 -0.367 -3.583 255 HG11 VAL 34 1HG1 VAL 34 1.134 -1.416 -6.268 256 HG12 VAL 34 2HG1 VAL 34 0.510 -2.351 -4.909 257 HG13 VAL 34 3HG1 VAL 34 2.079 -1.555 -4.787 258 HG21 VAL 34 3HG2 VAL 34 2.245 0.853 -4.533 259 HG22 VAL 34 1HG2 VAL 34 0.797 1.854 -4.430 260 HG23 VAL 34 2HG2 VAL 34 1.292 1.179 -5.982 261 H GLN 35 HN GLN 35 -1.424 -2.275 -6.397 262 HA GLN 35 HA GLN 35 -3.317 -3.282 -4.435 263 HB2 GLN 35 2HB GLN 35 -3.722 -3.565 -6.884 264 HB3 GLN 35 1HB GLN 35 -2.296 -4.588 -6.968 265 HG2 GLN 35 2HG GLN 35 -3.340 -6.190 -5.466 266 HG3 GLN 35 1HG GLN 35 -4.767 -5.162 -5.343 267 HE21 GLN 35 1HE2 GLN 35 -6.139 -6.713 -6.179 268 HE22 GLN 35 2HE2 GLN 35 -6.111 -7.177 -7.853 269 H VAL 36 HN VAL 36 -2.706 -4.459 -2.782 270 HA VAL 36 HA VAL 36 -0.141 -5.899 -2.927 271 HB VAL 36 HB VAL 36 0.203 -3.991 -1.508 272 HG11 VAL 36 1HG1 VAL 36 -2.227 -4.879 0.034 273 HG12 VAL 36 2HG1 VAL 36 -2.091 -3.438 -0.972 274 HG13 VAL 36 3HG1 VAL 36 -1.138 -3.575 0.505 275 HG21 VAL 36 3HG2 VAL 36 -0.196 -6.440 0.209 276 HG22 VAL 36 1HG2 VAL 36 0.831 -5.058 0.591 277 HG23 VAL 36 2HG2 VAL 36 1.223 -6.097 -0.779 278 H ASP 37 HN ASP 37 -0.223 -7.951 -2.542 279 HA ASP 37 HA ASP 37 -2.417 -9.096 -0.958 280 HB2 ASP 37 2HB ASP 37 -2.929 -9.443 -3.348 281 HB3 ASP 37 1HB ASP 37 -1.356 -10.198 -3.575 282 H LEU 38 HN LEU 38 -1.795 -10.791 0.356 283 HA LEU 38 HA LEU 38 1.118 -11.249 0.449 284 HB2 LEU 38 2HB LEU 38 -0.878 -11.330 2.718 285 HB3 LEU 38 1HB LEU 38 0.846 -11.611 2.856 286 HG LEU 38 HG LEU 38 -0.421 -8.996 2.036 287 HD11 LEU 38 1HD1 LEU 38 -0.848 -9.517 4.374 288 HD12 LEU 38 2HD1 LEU 38 0.327 -8.209 4.235 289 HD13 LEU 38 3HD1 LEU 38 0.865 -9.841 4.629 290 HD21 LEU 38 3HD2 LEU 38 1.767 -9.299 1.035 291 HD22 LEU 38 1HD2 LEU 38 2.447 -9.735 2.601 292 HD23 LEU 38 2HD2 LEU 38 1.849 -8.098 2.326 293 H GLU 39 HN GLU 39 1.869 -13.318 0.537 294 HA GLU 39 HA GLU 39 -0.157 -15.457 0.671 295 HB2 GLU 39 2HB GLU 39 2.554 -15.631 -0.649 296 HB3 GLU 39 1HB GLU 39 1.308 -16.867 -0.647 297 HG2 GLU 39 2HG GLU 39 -0.127 -15.463 -1.974 298 HG3 GLU 39 1HG GLU 39 1.063 -14.173 -1.904 299 H GLY 40 HN GLY 40 0.587 -17.445 1.590 300 HA2 GLY 40 2HA GLY 40 2.846 -18.180 2.793 301 HA3 GLY 40 1HA GLY 40 2.267 -16.972 3.931 302 HA PRO 41 HA PRO 41 0.366 -20.956 5.196 303 HB2 PRO 41 2HB PRO 41 1.071 -20.845 7.790 304 HB3 PRO 41 1HB PRO 41 2.168 -21.451 6.543 305 HG2 PRO 41 2HG PRO 41 2.113 -18.790 7.891 306 HG3 PRO 41 1HG PRO 41 3.505 -19.779 7.420 307 HD2 PRO 41 2HD PRO 41 2.568 -17.619 5.992 308 HD3 PRO 41 1HD PRO 41 3.525 -18.943 5.301 309 H ARG 42 HN ARG 42 -1.598 -21.183 6.050 310 HA ARG 42 HA ARG 42 -3.274 -18.971 6.337 311 HB2 ARG 42 2HB ARG 42 -3.671 -21.817 7.278 312 HB3 ARG 42 1HB ARG 42 -4.945 -20.611 7.162 313 HG2 ARG 42 2HG ARG 42 -4.785 -20.524 4.808 314 HG3 ARG 42 1HG ARG 42 -3.280 -21.443 4.805 315 HD2 ARG 42 2HD ARG 42 -5.154 -22.832 4.112 316 HD3 ARG 42 1HD ARG 42 -4.477 -23.402 5.636 317 HE ARG 42 HE ARG 42 -6.656 -21.611 6.067 318 HH11 ARG 42 1HH1 ARG 42 -5.835 -24.913 5.221 319 HH12 ARG 42 2HH1 ARG 42 -7.360 -25.565 5.758 320 HH21 ARG 42 1HH2 ARG 42 -8.669 -22.466 6.780 321 HH22 ARG 42 2HH2 ARG 42 -8.983 -24.172 6.601 322 H GLY 43 HN GLY 43 -1.463 -20.758 8.748 323 HA2 GLY 43 2HA GLY 43 -2.838 -19.893 11.046 324 HA3 GLY 43 1HA GLY 43 -1.164 -20.432 10.998 325 H VAL 44 HN VAL 44 0.075 -18.555 9.485 326 HA VAL 44 HA VAL 44 0.354 -16.412 11.319 327 HB VAL 44 HB VAL 44 1.429 -16.613 8.496 328 HG11 VAL 44 1HG1 VAL 44 3.102 -14.995 9.243 329 HG12 VAL 44 2HG1 VAL 44 2.285 -14.871 10.803 330 HG13 VAL 44 3HG1 VAL 44 1.470 -14.336 9.333 331 HG21 VAL 44 3HG2 VAL 44 2.688 -17.382 11.128 332 HG22 VAL 44 1HG2 VAL 44 3.493 -17.401 9.559 333 HG23 VAL 44 2HG2 VAL 44 2.141 -18.488 9.869 334 H LEU 45 HN LEU 45 -1.238 -16.721 8.186 335 HA LEU 45 HA LEU 45 -1.921 -14.038 7.790 336 HB2 LEU 45 2HB LEU 45 -3.424 -16.530 6.995 337 HB3 LEU 45 1HB LEU 45 -3.769 -14.923 6.385 338 HG LEU 45 HG LEU 45 -1.202 -16.454 5.962 339 HD11 LEU 45 1HD1 LEU 45 -3.076 -17.381 4.717 340 HD12 LEU 45 2HD1 LEU 45 -1.927 -16.587 3.640 341 HD13 LEU 45 3HD1 LEU 45 -3.441 -15.784 4.060 342 HD21 LEU 45 3HD2 LEU 45 -0.636 -14.638 4.414 343 HD22 LEU 45 1HD2 LEU 45 -0.798 -14.062 6.074 344 HD23 LEU 45 2HD2 LEU 45 -2.090 -13.771 4.909 345 H THR 46 HN THR 46 -3.448 -16.548 9.717 346 HA THR 46 HA THR 46 -5.804 -15.115 10.365 347 HB THR 46 HB THR 46 -4.425 -17.271 11.980 348 HG1 THR 46 1HG THR 46 -4.880 -18.037 9.894 349 HG21 THR 46 3HG2 THR 46 -6.680 -17.711 12.862 350 HG22 THR 46 1HG2 THR 46 -7.295 -16.332 11.950 351 HG23 THR 46 2HG2 THR 46 -6.131 -16.080 13.251 352 H VAL 47 HN VAL 47 -2.613 -15.351 11.880 353 HA VAL 47 HA VAL 47 -3.186 -13.848 14.190 354 HB VAL 47 HB VAL 47 -0.544 -14.068 12.732 355 HG11 VAL 47 1HG1 VAL 47 0.479 -13.514 14.874 356 HG12 VAL 47 2HG1 VAL 47 -1.119 -13.340 15.604 357 HG13 VAL 47 3HG1 VAL 47 -0.598 -12.222 14.342 358 HG21 VAL 47 3HG2 VAL 47 -1.685 -15.747 14.966 359 HG22 VAL 47 1HG2 VAL 47 -0.046 -15.872 14.325 360 HG23 VAL 47 2HG2 VAL 47 -1.427 -16.262 13.299 361 H PHE 48 HN PHE 48 -2.004 -12.910 10.992 362 HA PHE 48 HA PHE 48 -1.693 -10.153 11.534 363 HB2 PHE 48 2HB PHE 48 -0.710 -11.410 9.584 364 HB3 PHE 48 1HB PHE 48 -2.313 -11.429 8.861 365 HD1 PHE 48 1HD PHE 48 0.390 -9.185 10.029 366 HD2 PHE 48 2HD PHE 48 -3.092 -9.600 7.617 367 HE1 PHE 48 1HE PHE 48 0.837 -6.991 9.012 368 HE2 PHE 48 2HE PHE 48 -2.649 -7.406 6.597 369 HZ PHE 48 HZ PHE 48 -0.683 -6.097 7.293 370 H ARG 49 HN ARG 49 -4.439 -12.120 10.743 371 HA ARG 49 HA ARG 49 -6.200 -10.134 9.819 372 HB2 ARG 49 2HB ARG 49 -6.307 -12.928 10.640 373 HB3 ARG 49 1HB ARG 49 -7.780 -12.055 11.008 374 HG2 ARG 49 2HG ARG 49 -6.510 -12.048 8.288 375 HG3 ARG 49 1HG ARG 49 -7.709 -13.238 8.791 376 HD2 ARG 49 2HD ARG 49 -8.847 -11.522 7.591 377 HD3 ARG 49 1HD ARG 49 -9.261 -11.347 9.294 378 HE ARG 49 HE ARG 49 -7.050 -9.706 8.422 379 HH11 ARG 49 1HH1 ARG 49 -10.508 -9.917 8.903 380 HH12 ARG 49 2HH1 ARG 49 -10.746 -8.191 8.895 381 HH21 ARG 49 1HH2 ARG 49 -7.343 -7.447 8.435 382 HH22 ARG 49 2HH2 ARG 49 -8.942 -6.791 8.611 383 H PHE 50 HN PHE 50 -5.161 -10.990 13.028 384 HA PHE 50 HA PHE 50 -7.385 -9.852 14.402 385 HB2 PHE 50 2HB PHE 50 -4.601 -10.559 15.333 386 HB3 PHE 50 1HB PHE 50 -5.904 -10.055 16.389 387 HD1 PHE 50 2HD PHE 50 -8.202 -11.472 15.698 388 HD2 PHE 50 1HD PHE 50 -4.164 -12.794 15.472 389 HE1 PHE 50 2HE PHE 50 -8.963 -13.805 15.861 390 HE2 PHE 50 1HE PHE 50 -4.917 -15.132 15.632 391 HZ PHE 50 HZ PHE 50 -7.320 -15.638 15.828 392 H ALA 51 HN ALA 51 -4.280 -8.695 13.306 393 HA ALA 51 HA ALA 51 -4.347 -6.286 14.856 394 HB1 ALA 51 1HB ALA 51 -2.228 -7.345 14.285 395 HB2 ALA 51 2HB ALA 51 -2.307 -5.708 13.636 396 HB3 ALA 51 3HB ALA 51 -2.551 -7.091 12.571 397 H ARG 52 HN ARG 52 -5.065 -4.339 14.282 398 HA ARG 52 HA ARG 52 -6.613 -3.979 11.928 399 HB2 ARG 52 2HB ARG 52 -5.690 -2.131 14.107 400 HB3 ARG 52 1HB ARG 52 -6.650 -1.583 12.752 401 HG2 ARG 52 2HG ARG 52 -8.314 -3.396 13.417 402 HG3 ARG 52 1HG ARG 52 -7.411 -3.471 14.934 403 HD2 ARG 52 2HD ARG 52 -8.745 -1.031 13.773 404 HD3 ARG 52 1HD ARG 52 -9.338 -1.990 15.125 405 HE ARG 52 HE ARG 52 -6.685 -0.875 15.465 406 HH11 ARG 52 1HH1 ARG 52 -10.123 -0.517 15.999 407 HH12 ARG 52 2HH1 ARG 52 -9.934 0.652 17.277 408 HH21 ARG 52 1HH2 ARG 52 -6.422 0.669 17.140 409 HH22 ARG 52 2HH2 ARG 52 -7.832 1.332 17.927 410 HA PRO 53 HA PRO 53 -3.860 -2.488 8.903 411 HB2 PRO 53 2HB PRO 53 -4.667 0.167 8.512 412 HB3 PRO 53 1HB PRO 53 -5.255 -1.257 7.655 413 HG2 PRO 53 2HG PRO 53 -6.462 0.218 9.936 414 HG3 PRO 53 1HG PRO 53 -7.259 -0.630 8.600 415 HD2 PRO 53 2HD PRO 53 -7.154 -1.662 11.083 416 HD3 PRO 53 1HD PRO 53 -7.070 -2.692 9.634 417 H SER 54 HN SER 54 -1.862 -2.200 9.370 418 HA SER 54 HA SER 54 -0.945 0.383 10.337 419 HB2 SER 54 2HB SER 54 -0.296 -2.350 11.357 420 HB3 SER 54 1HB SER 54 0.915 -1.092 11.422 421 HG SER 54 HG SER 54 -0.518 0.159 12.675 422 H TYR 55 HN TYR 55 -1.265 -1.334 7.814 423 HA TYR 55 HA TYR 55 1.509 -1.610 6.965 424 HB2 TYR 55 2HB TYR 55 0.255 -2.675 4.907 425 HB3 TYR 55 1HB TYR 55 0.472 -3.587 6.394 426 HD1 TYR 55 1HD TYR 55 -1.982 -1.631 4.415 427 HD2 TYR 55 2HD TYR 55 -1.401 -4.311 7.671 428 HE1 TYR 55 1HE TYR 55 -4.412 -1.991 4.544 429 HE2 TYR 55 2HE TYR 55 -3.828 -4.676 7.807 430 HH TYR 55 HH TYR 55 -6.009 -3.567 5.365 431 H GLU 56 HN GLU 56 2.418 -0.106 5.809 432 HA GLU 56 HA GLU 56 0.733 1.627 4.133 433 HB2 GLU 56 2HB GLU 56 3.060 2.442 5.877 434 HB3 GLU 56 1HB GLU 56 2.342 3.479 4.658 435 HG2 GLU 56 2HG GLU 56 0.215 3.422 5.847 436 HG3 GLU 56 1HG GLU 56 0.927 2.372 7.071 437 H VAL 57 HN VAL 57 1.572 2.252 2.191 438 HA VAL 57 HA VAL 57 4.216 1.184 1.472 439 HB VAL 57 HB VAL 57 3.392 1.348 -0.928 440 HG11 VAL 57 1HG1 VAL 57 2.015 -0.598 0.926 441 HG12 VAL 57 2HG1 VAL 57 3.606 -0.796 0.191 442 HG13 VAL 57 3HG1 VAL 57 2.162 -0.785 -0.820 443 HG21 VAL 57 3HG2 VAL 57 0.718 1.599 0.451 444 HG22 VAL 57 1HG2 VAL 57 0.952 1.267 -1.264 445 HG23 VAL 57 2HG2 VAL 57 1.481 2.805 -0.584 446 H PHE 58 HN PHE 58 5.743 2.658 0.970 447 HA PHE 58 HA PHE 58 4.897 5.380 0.348 448 HB2 PHE 58 2HB PHE 58 6.327 6.319 2.137 449 HB3 PHE 58 1HB PHE 58 4.975 5.385 2.760 450 HD1 PHE 58 2HD PHE 58 5.372 3.150 3.756 451 HD2 PHE 58 1HD PHE 58 8.578 5.682 2.550 452 HE1 PHE 58 2HE PHE 58 6.933 1.824 5.119 453 HE2 PHE 58 1HE PHE 58 10.137 4.360 3.916 454 HZ PHE 58 HZ PHE 58 9.315 2.428 5.203 455 H VAL 59 HN VAL 59 6.555 6.745 -0.402 456 HA VAL 59 HA VAL 59 9.059 5.418 -1.197 457 HB VAL 59 HB VAL 59 7.529 7.369 -2.914 458 HG11 VAL 59 1HG1 VAL 59 9.913 7.504 -3.258 459 HG12 VAL 59 2HG1 VAL 59 9.151 6.741 -4.653 460 HG13 VAL 59 3HG1 VAL 59 10.008 5.756 -3.470 461 HG21 VAL 59 3HG2 VAL 59 7.812 4.385 -3.246 462 HG22 VAL 59 1HG2 VAL 59 7.072 5.482 -4.412 463 HG23 VAL 59 2HG2 VAL 59 6.333 5.252 -2.825 464 H ASP 60 HN ASP 60 10.858 6.640 -0.937 465 HA ASP 60 HA ASP 60 10.498 9.278 0.290 466 HB2 ASP 60 2HB ASP 60 12.634 7.194 0.579 467 HB3 ASP 60 1HB ASP 60 12.992 8.878 0.935 468 H LEU 61 HN LEU 61 10.816 10.913 -0.979 469 HA LEU 61 HA LEU 61 13.043 10.819 -2.888 470 HB2 LEU 61 2HB LEU 61 10.242 11.784 -3.470 471 HB3 LEU 61 1HB LEU 61 11.621 12.098 -4.509 472 HG LEU 61 HG LEU 61 10.713 9.318 -3.787 473 HD11 LEU 61 1HD1 LEU 61 8.909 10.422 -4.954 474 HD12 LEU 61 2HD1 LEU 61 9.686 9.239 -6.004 475 HD13 LEU 61 3HD1 LEU 61 10.019 10.958 -6.212 476 HD21 LEU 61 3HD2 LEU 61 12.036 8.689 -5.747 477 HD22 LEU 61 1HD2 LEU 61 13.024 9.491 -4.525 478 HD23 LEU 61 2HD2 LEU 61 12.511 10.373 -5.964 479 H THR 62 HN THR 62 13.837 11.890 -0.848 480 HA THR 62 HA THR 62 12.949 14.548 -0.262 481 HB THR 62 HB THR 62 15.087 14.554 1.152 482 HG1 THR 62 1HG THR 62 15.734 12.206 1.485 483 HG21 THR 62 3HG2 THR 62 12.995 12.418 1.603 484 HG22 THR 62 1HG2 THR 62 12.896 14.103 2.112 485 HG23 THR 62 2HG2 THR 62 14.100 13.033 2.831 486 H GLU 63 HN GLU 63 15.599 13.127 -2.080 487 HA GLU 63 HA GLU 63 16.793 15.700 -2.645 488 HB2 GLU 63 2HB GLU 63 17.428 12.949 -3.702 489 HB3 GLU 63 1HB GLU 63 18.375 14.383 -4.013 490 HG2 GLU 63 2HG GLU 63 18.939 14.557 -1.714 491 HG3 GLU 63 1HG GLU 63 17.868 13.226 -1.317 492 H ALA 64 HN ALA 64 15.137 13.146 -4.404 493 HA ALA 64 HA ALA 64 14.023 13.053 -6.376 494 HB1 ALA 64 1HB ALA 64 13.739 16.035 -6.009 495 HB2 ALA 64 2HB ALA 64 12.650 14.808 -5.359 496 HB3 ALA 64 3HB ALA 64 12.795 15.026 -7.104 497 H GLY 65 HN GLY 65 13.914 14.690 -8.576 498 HA2 GLY 65 2HA GLY 65 16.527 15.612 -9.312 499 HA3 GLY 65 1HA GLY 65 16.085 14.086 -10.069 500 H GLU 66 HN GLU 66 15.669 14.603 -12.113 501 HA GLU 66 HA GLU 66 14.190 17.026 -12.754 502 HB2 GLU 66 2HB GLU 66 15.133 14.943 -14.707 503 HB3 GLU 66 1HB GLU 66 14.853 16.652 -14.983 504 HG2 GLU 66 2HG GLU 66 16.798 17.246 -13.721 505 HG3 GLU 66 1HG GLU 66 17.043 15.568 -13.236 506 H GLY 67 HN GLY 67 12.153 17.067 -13.603 507 HA2 GLY 67 2HA GLY 67 10.036 16.379 -14.120 508 HA3 GLY 67 1HA GLY 67 10.835 15.049 -14.935 509 H SER 68 HN SER 68 9.910 13.286 -14.415 510 HA SER 68 HA SER 68 9.250 12.738 -11.603 511 HB2 SER 68 2HB SER 68 7.359 12.530 -13.171 512 HB3 SER 68 1HB SER 68 8.260 11.340 -14.103 513 HG SER 68 HG SER 68 6.658 10.645 -12.388 514 H HIS 69 HN HIS 69 10.055 10.899 -10.647 515 HA HIS 69 HA HIS 69 12.020 9.373 -12.201 516 HB2 HIS 69 2HB HIS 69 12.555 11.066 -9.858 517 HB3 HIS 69 1HB HIS 69 13.234 9.444 -9.761 518 HD1 HIS 69 1HD HIS 69 13.238 12.410 -12.153 519 HD2 HIS 69 2HD HIS 69 15.562 9.126 -11.099 520 HE1 HIS 69 1HE HIS 69 15.374 12.649 -13.450 521 HE2 HIS 69 2HE HIS 69 16.708 10.582 -12.903 522 H THR 70 HN THR 70 12.250 7.244 -11.670 523 HA THR 70 HA THR 70 10.146 6.260 -9.879 524 HB THR 70 HB THR 70 9.865 5.675 -12.259 525 HG1 THR 70 1HG THR 70 9.584 4.136 -10.225 526 HG21 THR 70 3HG2 THR 70 12.219 5.532 -12.911 527 HG22 THR 70 1HG2 THR 70 11.348 4.055 -13.323 528 HG23 THR 70 2HG2 THR 70 12.410 4.089 -11.915 529 H VAL 71 HN VAL 71 10.613 5.028 -8.197 530 HA VAL 71 HA VAL 71 13.122 3.525 -8.083 531 HB VAL 71 HB VAL 71 13.416 4.186 -5.661 532 HG11 VAL 71 1HG1 VAL 71 14.904 5.086 -7.340 533 HG12 VAL 71 2HG1 VAL 71 14.528 6.336 -6.152 534 HG13 VAL 71 3HG1 VAL 71 13.744 6.354 -7.730 535 HG21 VAL 71 3HG2 VAL 71 11.205 5.095 -5.252 536 HG22 VAL 71 1HG2 VAL 71 11.495 6.379 -6.425 537 HG23 VAL 71 2HG2 VAL 71 12.438 6.318 -4.937 538 H ASP 72 HN ASP 72 13.027 1.958 -6.166 539 HA ASP 72 HA ASP 72 10.635 0.456 -6.345 540 HB2 ASP 72 2HB ASP 72 12.973 0.238 -4.440 541 HB3 ASP 72 1HB ASP 72 11.644 -0.914 -4.481 542 H VAL 73 HN VAL 73 9.120 -0.063 -4.703 543 HA VAL 73 HA VAL 73 8.497 2.241 -3.027 544 HB VAL 73 HB VAL 73 6.801 -0.176 -3.684 545 HG11 VAL 73 1HG1 VAL 73 6.150 0.838 -1.567 546 HG12 VAL 73 2HG1 VAL 73 4.934 1.153 -2.806 547 HG13 VAL 73 3HG1 VAL 73 6.065 2.422 -2.340 548 HG21 VAL 73 3HG2 VAL 73 6.760 2.619 -4.808 549 HG22 VAL 73 1HG2 VAL 73 5.565 1.368 -5.144 550 HG23 VAL 73 2HG2 VAL 73 7.239 1.149 -5.663 551 H GLU 74 HN GLU 74 8.746 2.252 -0.904 552 HA GLU 74 HA GLU 74 9.633 -0.168 0.437 553 HB2 GLU 74 2HB GLU 74 10.122 2.624 0.746 554 HB3 GLU 74 1HB GLU 74 9.410 2.026 2.239 555 HG2 GLU 74 2HG GLU 74 11.788 0.779 0.884 556 HG3 GLU 74 1HG GLU 74 11.895 1.969 2.178 557 H HIS 75 HN HIS 75 8.670 -0.879 2.441 558 HA HIS 75 HA HIS 75 5.848 -0.134 2.712 559 HB2 HIS 75 2HB HIS 75 5.324 -2.645 2.831 560 HB3 HIS 75 1HB HIS 75 5.592 -1.934 1.246 561 HD1 HIS 75 1HD HIS 75 7.791 -2.600 0.003 562 HD2 HIS 75 2HD HIS 75 7.177 -4.579 3.607 563 HE1 HIS 75 1HE HIS 75 9.384 -4.544 -0.014 564 HE2 HIS 75 2HE HIS 75 8.858 -5.834 2.090 565 H ARG 76 HN ARG 76 4.875 -0.657 4.671 566 HA ARG 76 HA ARG 76 6.695 -1.505 6.825 567 HB2 ARG 76 2HB ARG 76 6.473 1.013 6.652 568 HB3 ARG 76 1HB ARG 76 4.766 0.820 7.014 569 HG2 ARG 76 2HG ARG 76 5.814 1.424 9.029 570 HG3 ARG 76 1HG ARG 76 5.459 -0.301 9.158 571 HD2 ARG 76 2HD ARG 76 7.763 -0.831 8.585 572 HD3 ARG 76 1HD ARG 76 8.123 0.884 8.377 573 HE ARG 76 HE ARG 76 7.217 -0.144 10.987 574 HH11 ARG 76 1HH1 ARG 76 9.646 1.407 9.002 575 HH12 ARG 76 2HH1 ARG 76 10.614 1.934 10.345 576 HH21 ARG 76 1HH2 ARG 76 8.492 0.530 12.777 577 HH22 ARG 76 2HH2 ARG 76 9.950 1.438 12.501 578 H GLY 77 HN GLY 77 5.672 -2.583 8.558 579 HA2 GLY 77 2HA GLY 77 3.549 -3.009 9.743 580 HA3 GLY 77 1HA GLY 77 2.790 -3.129 8.162 581 H PHE 78 HN PHE 78 3.167 -4.966 6.887 582 HA PHE 78 HA PHE 78 3.454 -7.391 8.309 583 HB2 PHE 78 2HB PHE 78 3.582 -8.300 5.847 584 HB3 PHE 78 1HB PHE 78 2.082 -7.615 6.463 585 HD1 PHE 78 2HD PHE 78 5.111 -6.768 4.485 586 HD2 PHE 78 1HD PHE 78 1.060 -5.832 5.382 587 HE1 PHE 78 2HE PHE 78 5.084 -5.142 2.643 588 HE2 PHE 78 1HE PHE 78 1.027 -4.203 3.537 589 HZ PHE 78 HZ PHE 78 3.040 -3.853 2.169 590 HA PRO 79 HA PRO 79 7.845 -7.926 8.027 591 HB2 PRO 79 2HB PRO 79 8.027 -10.467 8.852 592 HB3 PRO 79 1HB PRO 79 7.491 -9.182 9.944 593 HG2 PRO 79 2HG PRO 79 5.887 -11.239 8.493 594 HG3 PRO 79 1HG PRO 79 5.674 -10.603 10.132 595 HD2 PRO 79 2HD PRO 79 4.235 -9.793 7.900 596 HD3 PRO 79 1HD PRO 79 4.396 -8.866 9.404 597 H GLY 80 HN GLY 80 9.451 -9.622 7.175 598 HA2 GLY 80 2HA GLY 80 8.767 -10.078 4.384 599 HA3 GLY 80 1HA GLY 80 10.365 -10.199 5.104 600 H ASP 81 HN ASP 81 8.384 -11.833 7.115 601 HA ASP 81 HA ASP 81 9.233 -14.412 6.264 602 HB2 ASP 81 2HB ASP 81 8.868 -13.991 8.616 603 HB3 ASP 81 1HB ASP 81 7.191 -13.558 8.311 604 H LEU 82 HN LEU 82 6.346 -12.508 5.901 605 HA LEU 82 HA LEU 82 4.932 -14.614 4.498 606 HB2 LEU 82 2HB LEU 82 4.260 -11.708 4.991 607 HB3 LEU 82 1HB LEU 82 3.215 -12.828 4.138 608 HG LEU 82 HG LEU 82 4.073 -13.114 7.017 609 HD11 LEU 82 1HD1 LEU 82 1.453 -12.220 5.826 610 HD12 LEU 82 2HD1 LEU 82 2.596 -11.209 6.712 611 HD13 LEU 82 3HD1 LEU 82 1.756 -12.521 7.538 612 HD21 LEU 82 3HD2 LEU 82 2.346 -14.858 7.091 613 HD22 LEU 82 1HD2 LEU 82 3.640 -15.260 5.963 614 HD23 LEU 82 2HD2 LEU 82 2.091 -14.672 5.355 615 H ALA 83 HN ALA 83 4.131 -14.202 2.274 616 HA ALA 83 HA ALA 83 6.254 -13.071 0.640 617 HB1 ALA 83 1HB ALA 83 5.108 -14.049 -1.232 618 HB2 ALA 83 2HB ALA 83 3.703 -14.407 -0.232 619 HB3 ALA 83 3HB ALA 83 5.228 -15.242 0.058 620 H VAL 84 HN VAL 84 6.220 -10.969 0.229 621 HA VAL 84 HA VAL 84 3.702 -9.515 0.464 622 HB VAL 84 HB VAL 84 6.524 -8.474 0.201 623 HG11 VAL 84 1HG1 VAL 84 3.961 -7.033 0.879 624 HG12 VAL 84 2HG1 VAL 84 4.906 -6.857 -0.601 625 HG13 VAL 84 3HG1 VAL 84 5.576 -6.327 0.942 626 HG21 VAL 84 3HG2 VAL 84 4.779 -8.721 2.652 627 HG22 VAL 84 1HG2 VAL 84 6.385 -7.996 2.592 628 HG23 VAL 84 2HG2 VAL 84 6.185 -9.721 2.278 629 H THR 85 HN THR 85 2.547 -9.337 -1.378 630 HA THR 85 HA THR 85 4.049 -8.821 -3.858 631 HB THR 85 HB THR 85 1.152 -9.504 -3.885 632 HG1 THR 85 1HG THR 85 1.791 -11.237 -2.726 633 HG21 THR 85 3HG2 THR 85 2.245 -8.860 -5.959 634 HG22 THR 85 1HG2 THR 85 1.787 -10.563 -6.018 635 HG23 THR 85 2HG2 THR 85 3.465 -10.110 -5.718 636 H VAL 86 HN VAL 86 4.041 -6.866 -4.492 637 HA VAL 86 HA VAL 86 1.705 -5.117 -4.270 638 HB VAL 86 HB VAL 86 4.036 -3.507 -4.218 639 HG11 VAL 86 1HG1 VAL 86 1.877 -2.850 -3.307 640 HG12 VAL 86 2HG1 VAL 86 3.130 -2.678 -2.076 641 HG13 VAL 86 3HG1 VAL 86 2.027 -4.053 -2.025 642 HG21 VAL 86 3HG2 VAL 86 5.348 -5.308 -3.323 643 HG22 VAL 86 1HG2 VAL 86 4.153 -5.616 -2.059 644 HG23 VAL 86 2HG2 VAL 86 5.079 -4.116 -2.055 645 H GLU 87 HN GLU 87 1.410 -4.096 -6.412 646 HA GLU 87 HA GLU 87 3.990 -4.048 -7.803 647 HB2 GLU 87 2HB GLU 87 3.181 -6.145 -8.485 648 HB3 GLU 87 1HB GLU 87 1.586 -5.507 -8.838 649 HG2 GLU 87 2HG GLU 87 2.625 -5.921 -10.908 650 HG3 GLU 87 1HG GLU 87 2.629 -4.174 -10.687 651 HA PRO 88 HA PRO 88 4.365 -1.863 -10.278 652 HB2 PRO 88 2HB PRO 88 5.022 0.675 -9.447 653 HB3 PRO 88 1HB PRO 88 3.582 0.303 -10.388 654 HG2 PRO 88 2HG PRO 88 3.683 1.275 -7.706 655 HG3 PRO 88 1HG PRO 88 2.241 0.777 -8.605 656 HD2 PRO 88 2HD PRO 88 3.910 -0.803 -6.683 657 HD3 PRO 88 1HD PRO 88 2.154 -0.867 -6.975 658 H ARG 89 HN ARG 89 6.555 -2.480 -10.066 659 HA ARG 89 HA ARG 89 7.383 -2.833 -7.302 660 HB2 ARG 89 2HB ARG 89 8.840 -4.423 -7.962 661 HB3 ARG 89 1HB ARG 89 7.801 -4.449 -9.379 662 HG2 ARG 89 2HG ARG 89 9.419 -3.758 -10.700 663 HG3 ARG 89 1HG ARG 89 9.948 -2.507 -9.582 664 HD2 ARG 89 2HD ARG 89 11.259 -4.038 -8.342 665 HD3 ARG 89 1HD ARG 89 10.541 -5.422 -9.162 666 HE ARG 89 HE ARG 89 11.788 -4.836 -11.125 667 HH11 ARG 89 1HH1 ARG 89 12.664 -3.010 -8.237 668 HH12 ARG 89 2HH1 ARG 89 14.264 -2.646 -8.812 669 HH21 ARG 89 1HH2 ARG 89 13.896 -4.354 -11.861 670 HH22 ARG 89 2HH2 ARG 89 14.959 -3.395 -10.874 671 H MET 90 HN MET 90 8.030 -0.821 -9.974 672 HA MET 90 HA MET 90 9.720 0.873 -8.280 673 HB2 MET 90 2HB MET 90 10.764 -0.414 -10.373 674 HB3 MET 90 1HB MET 90 10.025 0.910 -11.258 675 HG2 MET 90 2HG MET 90 11.319 2.519 -10.024 676 HG3 MET 90 1HG MET 90 11.983 1.245 -9.000 677 HE1 MET 90 3HE MET 90 15.154 2.181 -11.026 678 HE2 MET 90 1HE MET 90 14.511 1.779 -9.434 679 HE3 MET 90 2HE MET 90 13.943 3.220 -10.275 680 H ALA 91 HN ALA 91 8.757 2.828 -7.989 681 HA ALA 91 HA ALA 91 6.525 3.495 -9.806 682 HB1 ALA 91 1HB ALA 91 5.766 2.725 -7.595 683 HB2 ALA 91 2HB ALA 91 5.325 4.403 -7.910 684 HB3 ALA 91 3HB ALA 91 6.680 4.034 -6.844 685 H ARG 92 HN ARG 92 5.975 5.815 -9.870 686 HA ARG 92 HA ARG 92 8.442 7.414 -9.741 687 HB2 ARG 92 2HB ARG 92 7.595 8.442 -11.929 688 HB3 ARG 92 1HB ARG 92 8.299 6.832 -12.007 689 HG2 ARG 92 2HG ARG 92 6.069 5.849 -12.040 690 HG3 ARG 92 1HG ARG 92 5.353 7.457 -11.934 691 HD2 ARG 92 2HD ARG 92 6.119 8.047 -14.083 692 HD3 ARG 92 1HD ARG 92 7.221 6.672 -14.153 693 HE ARG 92 HE ARG 92 4.869 5.432 -13.973 694 HH11 ARG 92 1HH1 ARG 92 5.802 8.166 -15.953 695 HH12 ARG 92 2HH1 ARG 92 4.799 7.688 -17.297 696 HH21 ARG 92 1HH2 ARG 92 3.561 4.805 -15.730 697 HH22 ARG 92 2HH2 ARG 92 3.534 5.785 -17.172 698 H VAL 93 HN VAL 93 8.279 9.443 -9.074 699 HA VAL 93 HA VAL 93 5.620 10.680 -8.856 700 HB VAL 93 HB VAL 93 7.789 10.820 -6.741 701 HG11 VAL 93 1HG1 VAL 93 6.549 12.914 -6.940 702 HG12 VAL 93 2HG1 VAL 93 6.174 12.092 -5.428 703 HG13 VAL 93 3HG1 VAL 93 5.029 12.037 -6.768 704 HG21 VAL 93 3HG2 VAL 93 5.086 9.483 -6.667 705 HG22 VAL 93 1HG2 VAL 93 6.188 9.638 -5.298 706 HG23 VAL 93 2HG2 VAL 93 6.652 8.672 -6.700 707 H GLN 94 HN GLN 94 5.566 12.833 -9.413 708 HA GLN 94 HA GLN 94 8.090 13.923 -10.470 709 HB2 GLN 94 2HB GLN 94 6.326 13.617 -12.151 710 HB3 GLN 94 1HB GLN 94 5.245 14.633 -11.203 711 HG2 GLN 94 2HG GLN 94 6.835 16.506 -11.480 712 HG3 GLN 94 1HG GLN 94 7.809 15.484 -12.529 713 HE21 GLN 94 1HE2 GLN 94 6.538 17.985 -13.102 714 HE22 GLN 94 2HE2 GLN 94 5.477 17.698 -14.437 715 H LEU 95 HN LEU 95 8.983 15.552 -9.426 716 HA LEU 95 HA LEU 95 7.270 17.233 -7.727 717 HB2 LEU 95 2HB LEU 95 10.221 16.657 -7.484 718 HB3 LEU 95 1HB LEU 95 9.343 17.793 -6.481 719 HG LEU 95 HG LEU 95 8.930 14.807 -6.583 720 HD11 LEU 95 1HD1 LEU 95 10.051 16.628 -4.460 721 HD12 LEU 95 2HD1 LEU 95 10.934 15.415 -5.391 722 HD13 LEU 95 3HD1 LEU 95 9.693 14.914 -4.241 723 HD21 LEU 95 3HD2 LEU 95 7.324 15.135 -4.783 724 HD22 LEU 95 1HD2 LEU 95 6.812 15.976 -6.245 725 HD23 LEU 95 2HD2 LEU 95 7.521 16.882 -4.909 726 H GLU 96 HN GLU 96 7.062 19.295 -8.226 727 HA GLU 96 HA GLU 96 8.987 20.499 -10.092 728 HB2 GLU 96 2HB GLU 96 6.875 19.844 -11.258 729 HB3 GLU 96 1HB GLU 96 6.001 20.942 -10.202 730 HG2 GLU 96 2HG GLU 96 6.477 21.905 -12.416 731 HG3 GLU 96 1HG GLU 96 7.190 22.833 -11.097 732 H GLU 97 HN GLU 97 9.324 22.725 -9.857 733 HA GLU 97 HA GLU 97 9.304 23.547 -7.138 734 HB2 GLU 97 2HB GLU 97 11.096 24.091 -8.773 735 HB3 GLU 97 1HB GLU 97 9.984 25.182 -9.586 736 HG2 GLU 97 2HG GLU 97 9.898 26.625 -7.693 737 HG3 GLU 97 1HG GLU 97 10.793 25.470 -6.706 738 H ARG 98 HN ARG 98 7.012 23.390 -6.848 739 HA ARG 98 HA ARG 98 4.951 24.213 -6.457 740 HB2 ARG 98 2HB ARG 98 6.463 25.289 -4.880 741 HB3 ARG 98 1HB ARG 98 6.513 26.679 -5.932 742 HG2 ARG 98 2HG ARG 98 4.119 27.007 -5.617 743 HG3 ARG 98 1HG ARG 98 4.066 25.586 -4.568 744 HD2 ARG 98 2HD ARG 98 4.159 27.526 -3.172 745 HD3 ARG 98 1HD ARG 98 5.724 26.718 -3.081 746 HE ARG 98 HE ARG 98 5.160 29.179 -4.591 747 HH11 ARG 98 1HH1 ARG 98 7.423 27.049 -2.952 748 HH12 ARG 98 2HH1 ARG 98 8.775 28.113 -3.210 749 HH21 ARG 98 1HH2 ARG 98 6.896 30.573 -4.874 750 HH22 ARG 98 2HH2 ARG 98 8.484 30.125 -4.306 751 H GLN 99 HN GLN 99 3.781 24.247 -8.044 752 HA GLN 99 HA GLN 99 2.414 24.835 -9.736 753 HB2 GLN 99 2HB GLN 99 1.495 25.961 -7.832 754 HB3 GLN 99 1HB GLN 99 2.511 27.356 -8.133 755 HG2 GLN 99 2HG GLN 99 0.268 27.810 -8.851 756 HG3 GLN 99 1HG GLN 99 1.326 27.731 -10.255 757 HE21 GLN 99 1HE2 GLN 99 -1.575 27.377 -10.024 758 HE22 GLN 99 2HE2 GLN 99 -1.921 25.818 -10.687 759 H THR 100 HN THR 100 4.327 27.811 -9.368 760 HA THR 100 HA THR 100 5.546 29.022 -10.869 761 HB THR 100 HB THR 100 4.671 27.138 -13.072 762 HG1 THR 100 1HG THR 100 5.808 25.776 -11.868 763 HG21 THR 100 3HG2 THR 100 6.744 27.898 -14.171 764 HG22 THR 100 1HG2 THR 100 7.034 29.015 -12.836 765 HG23 THR 100 2HG2 THR 100 5.630 29.232 -13.880 766 H VAL 101 HN VAL 101 2.314 28.560 -10.775 767 HA VAL 101 HA VAL 101 1.802 30.863 -12.543 768 HB VAL 101 HB VAL 101 -0.110 28.588 -11.959 769 HG11 VAL 101 1HG1 VAL 101 -0.396 30.969 -13.788 770 HG12 VAL 101 2HG1 VAL 101 -1.239 30.730 -12.259 771 HG13 VAL 101 3HG1 VAL 101 -1.556 29.652 -13.616 772 HG21 VAL 101 3HG2 VAL 101 1.702 27.908 -13.458 773 HG22 VAL 101 1HG2 VAL 101 1.344 29.275 -14.512 774 HG23 VAL 101 2HG2 VAL 101 0.157 27.986 -14.305 775 H SER 102 HN SER 102 1.346 32.603 -11.339 776 HA SER 102 HA SER 102 0.338 32.360 -8.656 777 HB2 SER 102 2HB SER 102 0.749 34.796 -10.405 778 HB3 SER 102 1HB SER 102 0.332 34.845 -8.691 779 HG SER 102 HG SER 102 2.730 34.080 -9.938 780 H VAL 103 HN VAL 103 -1.618 31.269 -8.948 781 HA VAL 103 HA VAL 103 -3.701 32.645 -10.459 782 HB VAL 103 HB VAL 103 -3.487 30.284 -10.938 783 HG11 VAL 103 1HG1 VAL 103 -3.906 28.560 -9.254 784 HG12 VAL 103 2HG1 VAL 103 -4.014 29.805 -8.009 785 HG13 VAL 103 3HG1 VAL 103 -2.491 29.532 -8.853 786 HG21 VAL 103 3HG2 VAL 103 -5.778 29.539 -10.515 787 HG22 VAL 103 1HG2 VAL 103 -5.732 31.225 -11.029 788 HG23 VAL 103 2HG2 VAL 103 -5.980 30.827 -9.328 789 HA PRO 104 HA PRO 104 -5.327 34.212 -6.591 790 HB2 PRO 104 2HB PRO 104 -7.366 35.615 -7.651 791 HB3 PRO 104 1HB PRO 104 -5.690 36.165 -7.768 792 HG2 PRO 104 2HG PRO 104 -7.376 34.770 -9.813 793 HG3 PRO 104 1HG PRO 104 -6.258 36.131 -10.022 794 HD2 PRO 104 2HD PRO 104 -5.623 33.540 -10.618 795 HD3 PRO 104 1HD PRO 104 -4.423 34.760 -10.146 796 H VAL 105 HN VAL 105 -6.974 33.607 -5.223 797 HA VAL 105 HA VAL 105 -8.612 31.385 -6.096 798 HB VAL 105 HB VAL 105 -9.317 31.203 -3.759 799 HG11 VAL 105 1HG1 VAL 105 -7.249 30.112 -4.453 800 HG12 VAL 105 2HG1 VAL 105 -7.144 30.657 -2.779 801 HG13 VAL 105 3HG1 VAL 105 -6.336 31.569 -4.056 802 HG21 VAL 105 3HG2 VAL 105 -8.399 32.674 -2.039 803 HG22 VAL 105 1HG2 VAL 105 -9.364 33.589 -3.198 804 HG23 VAL 105 2HG2 VAL 105 -7.602 33.644 -3.277 805 H THR 106 HN THR 106 -10.897 31.301 -5.824 806 HA THR 106 HA THR 106 -12.279 33.856 -5.594 807 HB THR 106 HB THR 106 -11.916 33.645 -7.988 808 HG1 THR 106 1HG THR 106 -14.513 32.898 -8.167 809 HG21 THR 106 3HG2 THR 106 -13.260 30.953 -7.764 810 HG22 THR 106 1HG2 THR 106 -11.556 31.237 -8.117 811 HG23 THR 106 2HG2 THR 106 -12.792 31.748 -9.265 812 H VAL 107 HN VAL 107 -14.380 33.673 -4.843 813 HA VAL 107 HA VAL 107 -15.215 30.946 -4.095 814 HB VAL 107 HB VAL 107 -14.437 32.137 -2.109 815 HG11 VAL 107 1HG1 VAL 107 -14.763 34.429 -2.839 816 HG12 VAL 107 2HG1 VAL 107 -15.581 34.153 -1.301 817 HG13 VAL 107 3HG1 VAL 107 -16.514 34.215 -2.796 818 HG21 VAL 107 3HG2 VAL 107 -16.450 31.946 -0.722 819 HG22 VAL 107 1HG2 VAL 107 -16.286 30.586 -1.832 820 HG23 VAL 107 2HG2 VAL 107 -17.441 31.872 -2.177 821 H GLU 108 HN GLU 108 -17.313 30.394 -4.476 822 HA GLU 108 HA GLU 108 -18.981 32.375 -5.830 823 HB2 GLU 108 2HB GLU 108 -19.329 29.390 -5.468 824 HB3 GLU 108 1HB GLU 108 -20.465 30.428 -6.318 825 HG2 GLU 108 2HG GLU 108 -18.729 30.990 -7.948 826 HG3 GLU 108 1HG GLU 108 -17.597 29.939 -7.098 827 H MET 109 HN MET 109 -19.515 33.649 -4.070 828 HA MET 109 HA MET 109 -20.788 32.501 -1.747 829 HB2 MET 109 2HB MET 109 -19.424 34.527 -1.511 830 HB3 MET 109 1HB MET 109 -20.471 35.382 -2.635 831 HG2 MET 109 2HG MET 109 -22.336 35.145 -1.057 832 HG3 MET 109 1HG MET 109 -21.259 34.330 0.073 833 HE1 MET 109 3HE MET 109 -20.312 37.364 -2.256 834 HE2 MET 109 1HE MET 109 -20.738 38.732 -1.231 835 HE3 MET 109 2HE MET 109 -22.000 37.666 -1.850 836 H ILE 110 HN ILE 110 -22.748 31.651 -2.046 837 HA ILE 110 HA ILE 110 -24.570 33.063 -3.853 838 HB ILE 110 HB ILE 110 -24.147 30.887 -4.701 839 HG12 ILE 110 2HG1 ILE 110 -26.839 30.869 -3.313 840 HG13 ILE 110 1HG1 ILE 110 -26.474 31.686 -4.831 841 HG21 ILE 110 1HG2 ILE 110 -24.890 29.797 -1.991 842 HG22 ILE 110 2HG2 ILE 110 -23.284 29.816 -2.715 843 HG23 ILE 110 3HG2 ILE 110 -24.559 28.831 -3.429 844 HD11 ILE 110 3HD1 ILE 110 -25.987 29.530 -5.862 845 HD12 ILE 110 1HD1 ILE 110 -27.626 29.594 -5.214 846 HD13 ILE 110 2HD1 ILE 110 -26.365 28.717 -4.342 847 H ASN 111 HN ASN 111 -25.514 34.497 -2.476 848 HA ASN 111 HA ASN 111 -27.245 33.302 -0.420 849 HB2 ASN 111 2HB ASN 111 -26.045 35.255 0.394 850 HB3 ASN 111 1HB ASN 111 -26.579 36.207 -0.986 851 HD21 ASN 111 1HD2 ASN 111 -27.529 34.768 2.047 852 HD22 ASN 111 2HD2 ASN 111 -29.032 35.627 2.210 853 H LEU 112 HN LEU 112 -28.776 32.353 -1.669 854 HA LEU 112 HA LEU 112 -30.046 34.007 -3.741 855 HB2 LEU 112 2HB LEU 112 -28.964 31.571 -4.060 856 HB3 LEU 112 1HB LEU 112 -30.575 31.088 -3.574 857 HG LEU 112 HG LEU 112 -29.939 32.873 -5.925 858 HD11 LEU 112 1HD1 LEU 112 -30.584 30.952 -7.286 859 HD12 LEU 112 2HD1 LEU 112 -30.767 29.977 -5.826 860 HD13 LEU 112 3HD1 LEU 112 -29.179 30.594 -6.285 861 HD21 LEU 112 3HD2 LEU 112 -32.275 32.582 -6.526 862 HD22 LEU 112 1HD2 LEU 112 -32.133 33.326 -4.936 863 HD23 LEU 112 2HD2 LEU 112 -32.545 31.618 -5.076 864 H GLU 113 HN GLU 113 -31.234 35.089 -2.077 865 HA GLU 113 HA GLU 113 -33.515 33.501 -1.112 866 HB2 GLU 113 2HB GLU 113 -32.484 36.143 -0.055 867 HB3 GLU 113 1HB GLU 113 -33.812 35.205 0.616 868 HG2 GLU 113 2HG GLU 113 -32.188 33.357 1.043 869 HG3 GLU 113 1HG GLU 113 -30.898 34.454 0.554 870 H HIS 114 HN HIS 114 -32.558 36.667 -2.348 871 HA HIS 114 HA HIS 114 -33.401 37.984 -3.978 872 HB2 HIS 114 2HB HIS 114 -33.813 35.884 -5.223 873 HB3 HIS 114 1HB HIS 114 -35.417 35.797 -4.503 874 HD1 HIS 114 1HD HIS 114 -37.183 36.658 -5.992 875 HD2 HIS 114 2HD HIS 114 -33.538 38.534 -6.683 876 HE1 HIS 114 1HE HIS 114 -37.591 38.252 -7.896 877 HE2 HIS 114 2HE HIS 114 -35.392 39.441 -8.246 878 H HIS 115 HN HIS 115 -35.618 36.647 -1.652 879 HA HIS 115 HA HIS 115 -37.616 38.670 -1.979 880 HB2 HIS 115 2HB HIS 115 -38.007 36.393 -0.973 881 HB3 HIS 115 1HB HIS 115 -37.105 36.923 0.440 882 HD1 HIS 115 1HD HIS 115 -40.342 37.500 -1.381 883 HD2 HIS 115 2HD HIS 115 -38.527 38.500 2.226 884 HE1 HIS 115 1HE HIS 115 -42.163 38.486 0.045 885 HE2 HIS 115 2HE HIS 115 -41.093 38.852 2.293 886 H HIS 116 HN HIS 116 -36.230 40.512 -2.022 887 HA HIS 116 HA HIS 116 -35.793 41.750 0.520 888 HB2 HIS 116 2HB HIS 116 -33.800 40.285 0.383 889 HB3 HIS 116 1HB HIS 116 -33.378 41.017 -1.159 890 HD1 HIS 116 1HD HIS 116 -33.272 41.591 2.518 891 HD2 HIS 116 2HD HIS 116 -32.290 43.621 -0.978 892 HE1 HIS 116 1HE HIS 116 -31.789 43.503 3.231 893 HE2 HIS 116 2HE HIS 116 -31.278 44.767 1.106 894 H HIS 117 HN HIS 117 -36.694 43.648 0.002 895 HA HIS 117 HA HIS 117 -35.685 45.021 -2.401 896 HB2 HIS 117 2HB HIS 117 -38.492 45.084 -1.276 897 HB3 HIS 117 1HB HIS 117 -37.903 46.195 -2.507 898 HD1 HIS 117 1HD HIS 117 -39.907 43.359 -2.316 899 HD2 HIS 117 2HD HIS 117 -36.695 44.402 -4.746 900 HE1 HIS 117 1HE HIS 117 -40.104 41.911 -4.360 901 HE2 HIS 117 2HE HIS 117 -38.275 42.713 -5.905 902 H HIS 118 HN HIS 118 -34.985 47.059 -2.133 903 HA HIS 118 HA HIS 118 -35.405 48.290 0.509 904 HB2 HIS 118 2HB HIS 118 -33.193 49.198 0.480 905 HB3 HIS 118 1HB HIS 118 -33.040 47.489 0.102 906 HD1 HIS 118 1HD HIS 118 -32.673 46.960 -2.555 907 HD2 HIS 118 2HD HIS 118 -32.022 50.874 -1.307 908 HE1 HIS 118 1HE HIS 118 -31.306 48.034 -4.370 909 HE2 HIS 118 2HE HIS 118 -30.782 50.344 -3.514 910 H HIS 119 HN HIS 119 -35.881 50.482 0.537 911 HA HIS 119 HA HIS 119 -36.904 51.490 -1.978 912 HB2 HIS 119 2HB HIS 119 -37.971 53.225 -0.707 913 HB3 HIS 119 1HB HIS 119 -38.205 51.709 0.148 914 HD1 HIS 119 1HD HIS 119 -36.620 51.383 2.330 915 HD2 HIS 119 2HD HIS 119 -36.866 55.228 0.760 916 HE1 HIS 119 1HE HIS 119 -35.808 52.916 4.150 917 HE2 HIS 119 2HE HIS 119 -36.168 55.245 3.248 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -12.280 -29.315 -9.433 2 H2 MET 1 H2 MET 1 -10.993 -30.240 -8.825 3 H3 MET 1 H3 MET 1 -10.691 -28.989 -9.927 4 HA MET 1 HA MET 1 -11.419 -27.351 -8.336 5 HB2 MET 1 2HB MET 1 -13.043 -28.781 -7.159 6 HB3 MET 1 1HB MET 1 -11.731 -29.749 -6.510 7 HG2 MET 1 2HG MET 1 -10.931 -27.869 -5.223 8 HG3 MET 1 1HG MET 1 -12.159 -26.827 -5.937 9 HE1 MET 1 2HE MET 1 -13.346 -27.199 -2.213 10 HE2 MET 1 3HE MET 1 -12.915 -26.069 -3.496 11 HE3 MET 1 1HE MET 1 -11.681 -27.115 -2.791 12 HA PRO 2 HA PRO 2 -7.048 -27.473 -8.034 13 HB2 PRO 2 2HB PRO 2 -6.662 -25.084 -6.781 14 HB3 PRO 2 1HB PRO 2 -7.057 -25.241 -8.495 15 HG2 PRO 2 2HG PRO 2 -8.850 -24.597 -6.191 16 HG3 PRO 2 1HG PRO 2 -8.814 -23.888 -7.817 17 HD2 PRO 2 2HD PRO 2 -10.632 -25.750 -7.081 18 HD3 PRO 2 1HD PRO 2 -10.011 -25.630 -8.738 19 H THR 3 HN THR 3 -5.938 -28.709 -6.684 20 HA THR 3 HA THR 3 -6.339 -28.556 -3.821 21 HB THR 3 HB THR 3 -4.348 -30.151 -3.796 22 HG1 THR 3 1HG THR 3 -3.606 -29.638 -5.932 23 HG21 THR 3 3HG2 THR 3 -5.721 -32.068 -4.488 24 HG22 THR 3 1HG2 THR 3 -6.851 -30.967 -5.280 25 HG23 THR 3 2HG2 THR 3 -6.650 -30.917 -3.527 26 H PHE 4 HN PHE 4 -5.610 -26.781 -2.906 27 HA PHE 4 HA PHE 4 -3.445 -25.297 -4.071 28 HB2 PHE 4 2HB PHE 4 -4.036 -23.646 -2.265 29 HB3 PHE 4 1HB PHE 4 -5.325 -24.009 -3.397 30 HD1 PHE 4 2HD PHE 4 -4.100 -24.555 0.038 31 HD2 PHE 4 1HD PHE 4 -7.347 -25.010 -2.674 32 HE1 PHE 4 2HE PHE 4 -5.590 -25.098 1.917 33 HE2 PHE 4 1HE PHE 4 -8.843 -25.550 -0.797 34 HZ PHE 4 HZ PHE 4 -7.966 -25.595 1.503 35 H ASP 5 HN ASP 5 -2.120 -24.088 -2.200 36 HA ASP 5 HA ASP 5 -1.129 -25.890 -0.197 37 HB2 ASP 5 2HB ASP 5 0.150 -26.546 -2.237 38 HB3 ASP 5 1HB ASP 5 0.718 -24.883 -2.375 39 H HIS 6 HN HIS 6 -1.295 -24.595 1.411 40 HA HIS 6 HA HIS 6 -0.997 -22.850 2.840 41 HB2 HIS 6 2HB HIS 6 0.658 -21.643 0.608 42 HB3 HIS 6 1HB HIS 6 0.439 -20.902 2.192 43 HD1 HIS 6 1HD HIS 6 2.806 -22.839 0.421 44 HD2 HIS 6 2HD HIS 6 1.305 -22.928 4.304 45 HE1 HIS 6 1HE HIS 6 4.511 -24.097 1.787 46 HE2 HIS 6 2HE HIS 6 3.523 -24.228 4.109 47 H GLY 7 HN GLY 7 -1.273 -20.142 2.513 48 HA2 GLY 7 2HA GLY 7 -3.739 -19.943 0.905 49 HA3 GLY 7 1HA GLY 7 -3.681 -19.371 2.567 50 H ASN 8 HN ASN 8 -4.472 -17.519 0.978 51 HA ASN 8 HA ASN 8 -2.294 -15.648 1.103 52 HB2 ASN 8 2HB ASN 8 -2.958 -14.757 -1.241 53 HB3 ASN 8 1HB ASN 8 -1.846 -16.108 -1.113 54 HD21 ASN 8 1HD2 ASN 8 -2.237 -16.904 -3.096 55 HD22 ASN 8 2HD2 ASN 8 -3.731 -17.644 -3.552 56 H LEU 9 HN LEU 9 -2.909 -13.527 1.200 57 HA LEU 9 HA LEU 9 -5.774 -12.996 1.546 58 HB2 LEU 9 2HB LEU 9 -4.487 -13.493 3.709 59 HB3 LEU 9 1HB LEU 9 -3.616 -12.005 3.413 60 HG LEU 9 HG LEU 9 -5.463 -11.828 5.070 61 HD11 LEU 9 1HD1 LEU 9 -4.645 -9.835 3.967 62 HD12 LEU 9 2HD1 LEU 9 -6.387 -9.732 4.225 63 HD13 LEU 9 3HD1 LEU 9 -5.754 -10.108 2.622 64 HD21 LEU 9 3HD2 LEU 9 -7.064 -13.329 4.068 65 HD22 LEU 9 1HD2 LEU 9 -7.217 -12.267 2.665 66 HD23 LEU 9 2HD2 LEU 9 -7.770 -11.723 4.251 67 H SER 10 HN SER 10 -6.368 -11.172 0.526 68 HA SER 10 HA SER 10 -4.253 -9.494 -0.597 69 HB2 SER 10 2HB SER 10 -6.130 -8.627 -2.058 70 HB3 SER 10 1HB SER 10 -5.751 -10.336 -2.266 71 HG SER 10 HG SER 10 -7.740 -10.746 -1.761 72 H LEU 11 HN LEU 11 -3.768 -7.696 0.460 73 HA LEU 11 HA LEU 11 -5.436 -6.591 2.489 74 HB2 LEU 11 2HB LEU 11 -3.014 -5.452 1.092 75 HB3 LEU 11 1HB LEU 11 -3.799 -4.709 2.471 76 HG LEU 11 HG LEU 11 -2.438 -7.405 2.468 77 HD11 LEU 11 1HD1 LEU 11 -0.854 -5.581 2.312 78 HD12 LEU 11 2HD1 LEU 11 -0.807 -6.291 3.929 79 HD13 LEU 11 3HD1 LEU 11 -1.638 -4.756 3.661 80 HD21 LEU 11 3HD2 LEU 11 -2.783 -7.360 4.886 81 HD22 LEU 11 1HD2 LEU 11 -4.327 -7.326 4.028 82 HD23 LEU 11 2HD2 LEU 11 -3.678 -5.845 4.738 83 H GLY 12 HN GLY 12 -4.571 -5.604 -0.796 84 HA2 GLY 12 2HA GLY 12 -6.355 -4.797 -2.242 85 HA3 GLY 12 1HA GLY 12 -7.035 -3.984 -0.841 86 H GLU 13 HN GLU 13 -7.021 -1.949 -1.683 87 HA GLU 13 HA GLU 13 -4.694 -0.822 -2.937 88 HB2 GLU 13 2HB GLU 13 -7.121 0.655 -1.917 89 HB3 GLU 13 1HB GLU 13 -6.003 1.168 -3.173 90 HG2 GLU 13 2HG GLU 13 -7.817 -1.218 -3.402 91 HG3 GLU 13 1HG GLU 13 -8.219 0.391 -3.992 92 H LEU 14 HN LEU 14 -2.960 -0.311 -1.709 93 HA LEU 14 HA LEU 14 -3.472 0.992 0.875 94 HB2 LEU 14 2HB LEU 14 -0.956 -0.275 -0.209 95 HB3 LEU 14 1HB LEU 14 -1.022 0.632 1.290 96 HG LEU 14 HG LEU 14 -2.398 -1.982 0.681 97 HD11 LEU 14 1HD1 LEU 14 -1.026 -2.820 2.503 98 HD12 LEU 14 2HD1 LEU 14 -0.317 -1.219 2.722 99 HD13 LEU 14 3HD1 LEU 14 -0.021 -2.119 1.235 100 HD21 LEU 14 3HD2 LEU 14 -3.289 -1.893 2.946 101 HD22 LEU 14 1HD2 LEU 14 -3.899 -0.549 1.977 102 HD23 LEU 14 2HD2 LEU 14 -2.615 -0.275 3.159 103 H GLU 15 HN GLU 15 -2.473 2.939 1.403 104 HA GLU 15 HA GLU 15 -2.373 4.777 -0.797 105 HB2 GLU 15 2HB GLU 15 -1.787 5.265 2.130 106 HB3 GLU 15 1HB GLU 15 -2.144 6.487 0.921 107 HG2 GLU 15 2HG GLU 15 -4.401 5.670 0.697 108 HG3 GLU 15 1HG GLU 15 -4.060 4.341 1.806 109 H LEU 16 HN LEU 16 -0.594 5.446 -1.872 110 HA LEU 16 HA LEU 16 2.046 4.807 -0.842 111 HB2 LEU 16 2HB LEU 16 1.637 4.526 -3.237 112 HB3 LEU 16 1HB LEU 16 1.210 6.222 -3.380 113 HG LEU 16 HG LEU 16 3.569 6.753 -2.604 114 HD11 LEU 16 1HD1 LEU 16 4.091 4.582 -1.633 115 HD12 LEU 16 2HD1 LEU 16 5.244 5.011 -2.898 116 HD13 LEU 16 3HD1 LEU 16 3.971 3.836 -3.227 117 HD21 LEU 16 3HD2 LEU 16 4.538 6.411 -4.805 118 HD22 LEU 16 1HD2 LEU 16 2.865 6.953 -4.933 119 HD23 LEU 16 2HD2 LEU 16 3.264 5.256 -5.200 120 H THR 17 HN THR 17 2.852 6.107 0.677 121 HA THR 17 HA THR 17 2.361 8.990 0.494 122 HB THR 17 HB THR 17 3.685 7.414 2.715 123 HG1 THR 17 1HG THR 17 1.032 7.853 2.074 124 HG21 THR 17 3HG2 THR 17 3.317 9.419 4.064 125 HG22 THR 17 1HG2 THR 17 2.624 10.244 2.669 126 HG23 THR 17 2HG2 THR 17 4.325 9.783 2.664 127 H VAL 18 HN VAL 18 3.884 10.282 -0.350 128 HA VAL 18 HA VAL 18 6.576 9.170 -0.743 129 HB VAL 18 HB VAL 18 5.245 11.488 -2.160 130 HG11 VAL 18 1HG1 VAL 18 7.898 10.145 -2.682 131 HG12 VAL 18 2HG1 VAL 18 7.655 11.777 -2.057 132 HG13 VAL 18 3HG1 VAL 18 7.154 11.379 -3.698 133 HG21 VAL 18 3HG2 VAL 18 4.225 9.362 -2.758 134 HG22 VAL 18 1HG2 VAL 18 5.811 8.683 -3.119 135 HG23 VAL 18 2HG2 VAL 18 5.167 9.995 -4.107 136 H LEU 19 HN LEU 19 8.222 9.979 0.371 137 HA LEU 19 HA LEU 19 7.766 12.284 2.088 138 HB2 LEU 19 2HB LEU 19 10.173 10.468 1.865 139 HB3 LEU 19 1HB LEU 19 9.919 11.688 3.099 140 HG LEU 19 HG LEU 19 8.225 9.213 2.718 141 HD11 LEU 19 1HD1 LEU 19 10.446 8.658 3.525 142 HD12 LEU 19 2HD1 LEU 19 9.256 8.458 4.808 143 HD13 LEU 19 3HD1 LEU 19 10.311 9.871 4.796 144 HD21 LEU 19 3HD2 LEU 19 6.948 11.067 3.630 145 HD22 LEU 19 1HD2 LEU 19 8.185 11.339 4.859 146 HD23 LEU 19 2HD2 LEU 19 7.242 9.847 4.873 147 H TYR 20 HN TYR 20 8.241 14.237 1.419 148 HA TYR 20 HA TYR 20 10.647 14.731 -0.129 149 HB2 TYR 20 2HB TYR 20 9.513 15.998 -1.859 150 HB3 TYR 20 1HB TYR 20 8.854 14.368 -1.818 151 HD1 TYR 20 2HD TYR 20 6.605 14.015 -0.657 152 HD2 TYR 20 1HD TYR 20 8.113 17.876 -1.620 153 HE1 TYR 20 2HE TYR 20 4.338 14.946 -0.456 154 HE2 TYR 20 1HE TYR 20 5.850 18.816 -1.420 155 HH TYR 20 HH TYR 20 3.511 18.068 -1.551 156 H ASP 21 HN ASP 21 10.610 17.319 -0.555 157 HA ASP 21 HA ASP 21 9.983 18.494 2.068 158 HB2 ASP 21 2HB ASP 21 12.389 18.444 0.822 159 HB3 ASP 21 1HB ASP 21 11.749 19.968 0.213 160 H GLU 22 HN GLU 22 8.405 19.940 2.161 161 HA GLU 22 HA GLU 22 6.966 20.575 -0.248 162 HB2 GLU 22 2HB GLU 22 5.329 21.612 1.336 163 HB3 GLU 22 1HB GLU 22 5.672 19.917 1.654 164 HG2 GLU 22 2HG GLU 22 7.284 20.659 3.409 165 HG3 GLU 22 1HG GLU 22 6.711 22.306 3.151 166 H GLU 23 HN GLU 23 9.639 21.886 0.636 167 HA GLU 23 HA GLU 23 9.189 24.650 0.834 168 HB2 GLU 23 2HB GLU 23 11.474 22.935 -0.046 169 HB3 GLU 23 1HB GLU 23 11.556 24.675 -0.290 170 HG2 GLU 23 2HG GLU 23 10.884 23.537 2.389 171 HG3 GLU 23 1HG GLU 23 12.554 23.650 1.844 172 H ARG 24 HN ARG 24 10.285 22.846 -2.054 173 HA ARG 24 HA ARG 24 9.168 25.027 -3.674 174 HB2 ARG 24 2HB ARG 24 11.461 23.157 -4.245 175 HB3 ARG 24 1HB ARG 24 10.809 24.301 -5.400 176 HG2 ARG 24 2HG ARG 24 12.100 24.992 -2.774 177 HG3 ARG 24 1HG ARG 24 12.849 25.126 -4.365 178 HD2 ARG 24 2HD ARG 24 12.155 27.300 -3.897 179 HD3 ARG 24 1HD ARG 24 10.879 26.671 -4.938 180 HE ARG 24 HE ARG 24 9.838 26.136 -2.568 181 HH11 ARG 24 1HH1 ARG 24 11.403 29.050 -3.716 182 HH12 ARG 24 2HH1 ARG 24 10.609 30.078 -2.560 183 HH21 ARG 24 1HH2 ARG 24 8.782 27.479 -1.070 184 HH22 ARG 24 2HH2 ARG 24 9.126 29.186 -1.038 185 H TYR 25 HN TYR 25 9.505 21.506 -3.484 186 HA TYR 25 HA TYR 25 7.968 21.238 -5.959 187 HB2 TYR 25 2HB TYR 25 9.386 19.072 -4.402 188 HB3 TYR 25 1HB TYR 25 8.765 18.967 -6.048 189 HD1 TYR 25 2HD TYR 25 9.897 20.280 -7.860 190 HD2 TYR 25 1HD TYR 25 11.527 19.946 -3.947 191 HE1 TYR 25 2HE TYR 25 12.089 21.000 -8.718 192 HE2 TYR 25 1HE TYR 25 13.717 20.663 -4.786 193 HH TYR 25 HH TYR 25 14.949 20.700 -6.898 194 H ASP 26 HN ASP 26 6.048 20.171 -6.084 195 HA ASP 26 HA ASP 26 5.034 18.847 -3.666 196 HB2 ASP 26 2HB ASP 26 4.032 21.141 -3.869 197 HB3 ASP 26 1HB ASP 26 3.317 20.637 -5.395 198 H ILE 27 HN ILE 27 3.161 17.404 -4.186 199 HA ILE 27 HA ILE 27 4.017 15.727 -6.364 200 HB ILE 27 HB ILE 27 1.691 15.340 -4.470 201 HG12 ILE 27 2HG1 ILE 27 4.499 14.209 -4.371 202 HG13 ILE 27 1HG1 ILE 27 3.876 15.480 -3.322 203 HG21 ILE 27 1HG2 ILE 27 1.459 14.036 -6.520 204 HG22 ILE 27 2HG2 ILE 27 1.822 12.983 -5.150 205 HG23 ILE 27 3HG2 ILE 27 3.088 13.394 -6.307 206 HD11 ILE 27 3HD1 ILE 27 2.242 13.910 -2.407 207 HD12 ILE 27 1HD1 ILE 27 3.895 13.336 -2.191 208 HD13 ILE 27 2HD1 ILE 27 2.879 12.641 -3.454 209 H VAL 28 HN VAL 28 3.466 16.368 -8.343 210 HA VAL 28 HA VAL 28 0.816 17.437 -8.876 211 HB VAL 28 HB VAL 28 3.087 16.873 -10.793 212 HG11 VAL 28 1HG1 VAL 28 0.558 18.474 -11.177 213 HG12 VAL 28 2HG1 VAL 28 0.923 16.913 -11.912 214 HG13 VAL 28 3HG1 VAL 28 1.876 18.332 -12.341 215 HG21 VAL 28 3HG2 VAL 28 2.218 19.460 -9.509 216 HG22 VAL 28 1HG2 VAL 28 3.486 19.286 -10.724 217 HG23 VAL 28 2HG2 VAL 28 3.684 18.553 -9.130 218 H GLU 29 HN GLU 29 2.780 14.666 -9.907 219 HA GLU 29 HA GLU 29 0.330 13.105 -10.197 220 HB2 GLU 29 2HB GLU 29 2.504 13.353 -12.282 221 HB3 GLU 29 1HB GLU 29 1.336 12.036 -12.265 222 HG2 GLU 29 2HG GLU 29 -0.487 13.600 -12.527 223 HG3 GLU 29 1HG GLU 29 0.636 14.957 -12.453 224 H GLN 30 HN GLN 30 0.699 10.781 -10.028 225 HA GLN 30 HA GLN 30 3.222 9.737 -9.233 226 HB2 GLN 30 2HB GLN 30 2.776 9.377 -6.856 227 HB3 GLN 30 1HB GLN 30 2.795 11.097 -7.221 228 HG2 GLN 30 2HG GLN 30 0.467 11.281 -7.024 229 HG3 GLN 30 1HG GLN 30 0.236 9.537 -7.118 230 HE21 GLN 30 1HE2 GLN 30 -0.947 9.501 -5.216 231 HE22 GLN 30 2HE2 GLN 30 -0.217 9.701 -3.662 232 H THR 31 HN THR 31 2.771 7.580 -7.908 233 HA THR 31 HA THR 31 0.552 6.189 -9.207 234 HB THR 31 HB THR 31 2.660 4.986 -7.398 235 HG1 THR 31 1HG THR 31 3.195 6.189 -9.598 236 HG21 THR 31 3HG2 THR 31 2.127 2.925 -8.616 237 HG22 THR 31 1HG2 THR 31 0.930 3.795 -9.573 238 HG23 THR 31 2HG2 THR 31 0.690 3.589 -7.840 239 H GLU 32 HN GLU 32 -1.294 6.648 -8.122 240 HA GLU 32 HA GLU 32 -1.423 7.723 -5.574 241 HB2 GLU 32 2HB GLU 32 -3.633 6.227 -6.983 242 HB3 GLU 32 1HB GLU 32 -3.821 7.446 -5.730 243 HG2 GLU 32 2HG GLU 32 -2.906 9.139 -7.214 244 HG3 GLU 32 1HG GLU 32 -2.662 7.920 -8.465 245 H THR 33 HN THR 33 -2.195 4.386 -6.552 246 HA THR 33 HA THR 33 -1.965 3.603 -3.723 247 HB THR 33 HB THR 33 -3.830 1.907 -4.284 248 HG1 THR 33 1HG THR 33 -4.501 3.905 -6.206 249 HG21 THR 33 3HG2 THR 33 -5.572 3.516 -3.663 250 HG22 THR 33 1HG2 THR 33 -4.484 4.848 -4.054 251 HG23 THR 33 2HG2 THR 33 -4.106 3.765 -2.713 252 H VAL 34 HN VAL 34 -1.701 1.218 -3.460 253 HA VAL 34 HA VAL 34 -0.201 0.052 -5.722 254 HB VAL 34 HB VAL 34 0.401 -0.509 -2.822 255 HG11 VAL 34 1HG1 VAL 34 2.540 -1.328 -3.692 256 HG12 VAL 34 2HG1 VAL 34 1.961 -1.027 -5.331 257 HG13 VAL 34 3HG1 VAL 34 1.152 -2.222 -4.315 258 HG21 VAL 34 3HG2 VAL 34 0.808 1.874 -3.215 259 HG22 VAL 34 1HG2 VAL 34 1.813 1.472 -4.610 260 HG23 VAL 34 2HG2 VAL 34 2.323 0.998 -2.990 261 H GLN 35 HN GLN 35 -0.457 -2.142 -6.079 262 HA GLN 35 HA GLN 35 -2.717 -3.456 -4.812 263 HB2 GLN 35 2HB GLN 35 -2.414 -3.653 -7.245 264 HB3 GLN 35 1HB GLN 35 -0.817 -4.345 -7.000 265 HG2 GLN 35 2HG GLN 35 -2.092 -6.155 -5.647 266 HG3 GLN 35 1HG GLN 35 -3.497 -5.559 -6.530 267 HE21 GLN 35 1HE2 GLN 35 -1.810 -4.892 -8.886 268 HE22 GLN 35 2HE2 GLN 35 -1.492 -6.411 -9.656 269 H VAL 36 HN VAL 36 -2.330 -4.448 -2.903 270 HA VAL 36 HA VAL 36 0.260 -5.821 -2.581 271 HB VAL 36 HB VAL 36 -1.379 -4.546 -0.386 272 HG11 VAL 36 1HG1 VAL 36 0.580 -5.017 1.022 273 HG12 VAL 36 2HG1 VAL 36 1.336 -5.864 -0.326 274 HG13 VAL 36 3HG1 VAL 36 -0.145 -6.496 0.391 275 HG21 VAL 36 3HG2 VAL 36 -0.384 -2.831 -1.748 276 HG22 VAL 36 1HG2 VAL 36 1.173 -3.658 -1.727 277 HG23 VAL 36 2HG2 VAL 36 0.529 -2.954 -0.246 278 H ASP 37 HN ASP 37 0.160 -7.878 -2.412 279 HA ASP 37 HA ASP 37 -2.185 -9.197 -1.226 280 HB2 ASP 37 2HB ASP 37 -2.431 -9.255 -3.684 281 HB3 ASP 37 1HB ASP 37 -0.834 -9.973 -3.827 282 H LEU 38 HN LEU 38 -1.642 -10.981 0.037 283 HA LEU 38 HA LEU 38 1.255 -11.552 0.219 284 HB2 LEU 38 2HB LEU 38 -0.729 -11.390 2.489 285 HB3 LEU 38 1HB LEU 38 0.971 -11.791 2.640 286 HG LEU 38 HG LEU 38 -0.115 -9.128 1.717 287 HD11 LEU 38 1HD1 LEU 38 1.160 -9.943 4.326 288 HD12 LEU 38 2HD1 LEU 38 -0.538 -9.534 4.087 289 HD13 LEU 38 3HD1 LEU 38 0.706 -8.303 3.871 290 HD21 LEU 38 3HD2 LEU 38 2.035 -9.656 0.704 291 HD22 LEU 38 1HD2 LEU 38 2.706 -10.031 2.293 292 HD23 LEU 38 2HD2 LEU 38 2.209 -8.381 1.911 293 H GLU 39 HN GLU 39 1.787 -13.658 0.041 294 HA GLU 39 HA GLU 39 -0.334 -15.642 0.575 295 HB2 GLU 39 2HB GLU 39 1.991 -15.977 -1.332 296 HB3 GLU 39 1HB GLU 39 0.686 -17.126 -1.052 297 HG2 GLU 39 2HG GLU 39 -0.918 -15.587 -1.956 298 HG3 GLU 39 1HG GLU 39 0.334 -14.373 -2.146 299 H GLY 40 HN GLY 40 0.513 -17.772 1.202 300 HA2 GLY 40 2HA GLY 40 2.678 -18.819 2.092 301 HA3 GLY 40 1HA GLY 40 2.734 -17.393 3.117 302 HA PRO 41 HA PRO 41 0.767 -20.709 5.660 303 HB2 PRO 41 2HB PRO 41 1.502 -19.430 8.003 304 HB3 PRO 41 1HB PRO 41 2.432 -20.698 7.198 305 HG2 PRO 41 2HG PRO 41 2.785 -17.736 7.111 306 HG3 PRO 41 1HG PRO 41 4.012 -19.015 7.151 307 HD2 PRO 41 2HD PRO 41 3.406 -17.710 4.885 308 HD3 PRO 41 1HD PRO 41 3.833 -19.435 4.882 309 H ARG 42 HN ARG 42 -1.321 -20.591 5.909 310 HA ARG 42 HA ARG 42 -2.861 -18.278 5.795 311 HB2 ARG 42 2HB ARG 42 -4.721 -19.762 6.689 312 HB3 ARG 42 1HB ARG 42 -3.915 -20.308 5.223 313 HG2 ARG 42 2HG ARG 42 -2.716 -21.971 6.380 314 HG3 ARG 42 1HG ARG 42 -3.131 -21.282 7.949 315 HD2 ARG 42 2HD ARG 42 -5.195 -22.359 6.050 316 HD3 ARG 42 1HD ARG 42 -4.392 -23.367 7.252 317 HE ARG 42 HE ARG 42 -5.654 -20.946 8.249 318 HH11 ARG 42 1HH1 ARG 42 -5.923 -24.400 7.719 319 HH12 ARG 42 2HH1 ARG 42 -7.154 -24.614 8.919 320 HH21 ARG 42 1HH2 ARG 42 -7.261 -21.229 9.834 321 HH22 ARG 42 2HH2 ARG 42 -7.917 -22.815 10.129 322 H GLY 43 HN GLY 43 -1.541 -19.939 8.591 323 HA2 GLY 43 2HA GLY 43 -3.163 -18.755 10.567 324 HA3 GLY 43 1HA GLY 43 -1.555 -19.418 10.822 325 H VAL 44 HN VAL 44 0.052 -17.814 9.374 326 HA VAL 44 HA VAL 44 0.334 -15.538 10.995 327 HB VAL 44 HB VAL 44 1.549 -16.014 8.267 328 HG11 VAL 44 1HG1 VAL 44 1.739 -13.690 8.963 329 HG12 VAL 44 2HG1 VAL 44 3.314 -14.483 9.028 330 HG13 VAL 44 3HG1 VAL 44 2.410 -14.193 10.516 331 HG21 VAL 44 3HG2 VAL 44 2.587 -16.711 11.011 332 HG22 VAL 44 1HG2 VAL 44 3.482 -16.886 9.502 333 HG23 VAL 44 2HG2 VAL 44 2.031 -17.849 9.782 334 H LEU 45 HN LEU 45 -1.040 -15.987 7.778 335 HA LEU 45 HA LEU 45 -1.549 -13.319 7.120 336 HB2 LEU 45 2HB LEU 45 -3.174 -15.777 6.459 337 HB3 LEU 45 1HB LEU 45 -3.341 -14.220 5.671 338 HG LEU 45 HG LEU 45 -0.817 -15.868 5.626 339 HD11 LEU 45 1HD1 LEU 45 -2.618 -17.047 4.492 340 HD12 LEU 45 2HD1 LEU 45 -1.431 -16.441 3.339 341 HD13 LEU 45 3HD1 LEU 45 -2.972 -15.605 3.535 342 HD21 LEU 45 3HD2 LEU 45 -0.451 -13.485 5.292 343 HD22 LEU 45 1HD2 LEU 45 -1.679 -13.463 4.026 344 HD23 LEU 45 2HD2 LEU 45 -0.188 -14.376 3.793 345 H THR 46 HN THR 46 -3.421 -15.633 8.986 346 HA THR 46 HA THR 46 -5.674 -13.952 9.405 347 HB THR 46 HB THR 46 -4.790 -16.277 11.132 348 HG1 THR 46 1HG THR 46 -4.916 -16.818 8.847 349 HG21 THR 46 3HG2 THR 46 -6.627 -14.945 12.054 350 HG22 THR 46 1HG2 THR 46 -7.195 -16.537 11.547 351 HG23 THR 46 2HG2 THR 46 -7.520 -15.124 10.543 352 H VAL 47 HN VAL 47 -2.678 -14.526 11.180 353 HA VAL 47 HA VAL 47 -3.338 -13.405 13.632 354 HB VAL 47 HB VAL 47 -0.664 -13.434 12.224 355 HG11 VAL 47 1HG1 VAL 47 -1.277 -12.839 15.119 356 HG12 VAL 47 2HG1 VAL 47 -0.672 -11.689 13.927 357 HG13 VAL 47 3HG1 VAL 47 0.330 -13.046 14.429 358 HG21 VAL 47 3HG2 VAL 47 -1.816 -15.207 14.376 359 HG22 VAL 47 1HG2 VAL 47 -0.196 -15.329 13.693 360 HG23 VAL 47 2HG2 VAL 47 -1.605 -15.641 12.681 361 H PHE 48 HN PHE 48 -1.820 -11.728 10.830 362 HA PHE 48 HA PHE 48 -1.845 -9.237 12.204 363 HB2 PHE 48 2HB PHE 48 -1.162 -8.186 10.121 364 HB3 PHE 48 1HB PHE 48 -0.211 -9.627 10.427 365 HD1 PHE 48 2HD PHE 48 -3.100 -8.369 8.446 366 HD2 PHE 48 1HD PHE 48 0.022 -11.242 8.781 367 HE1 PHE 48 2HE PHE 48 -3.574 -9.145 6.162 368 HE2 PHE 48 1HE PHE 48 -0.442 -12.011 6.493 369 HZ PHE 48 HZ PHE 48 -2.241 -10.966 5.183 370 H ARG 49 HN ARG 49 -4.167 -10.911 10.263 371 HA ARG 49 HA ARG 49 -5.807 -8.682 9.654 372 HB2 ARG 49 2HB ARG 49 -6.013 -11.632 9.469 373 HB3 ARG 49 1HB ARG 49 -7.511 -10.736 9.496 374 HG2 ARG 49 2HG ARG 49 -6.451 -9.320 7.639 375 HG3 ARG 49 1HG ARG 49 -5.308 -10.655 7.494 376 HD2 ARG 49 2HD ARG 49 -7.203 -10.863 5.937 377 HD3 ARG 49 1HD ARG 49 -7.111 -12.202 7.082 378 HE ARG 49 HE ARG 49 -9.102 -11.527 8.021 379 HH11 ARG 49 1HH1 ARG 49 -7.939 -9.059 5.828 380 HH12 ARG 49 2HH1 ARG 49 -9.382 -8.101 5.922 381 HH21 ARG 49 1HH2 ARG 49 -11.002 -10.275 8.151 382 HH22 ARG 49 2HH2 ARG 49 -11.123 -8.777 7.277 383 H PHE 50 HN PHE 50 -5.336 -10.552 12.488 384 HA PHE 50 HA PHE 50 -7.867 -9.883 13.700 385 HB2 PHE 50 2HB PHE 50 -5.460 -11.407 14.462 386 HB3 PHE 50 1HB PHE 50 -6.289 -10.606 15.786 387 HD1 PHE 50 1HD PHE 50 -8.686 -11.125 16.217 388 HD2 PHE 50 2HD PHE 50 -6.333 -13.360 13.467 389 HE1 PHE 50 1HE PHE 50 -10.330 -12.952 16.307 390 HE2 PHE 50 2HE PHE 50 -7.973 -15.193 13.549 391 HZ PHE 50 HZ PHE 50 -9.975 -14.991 14.970 392 H ALA 51 HN ALA 51 -4.966 -8.287 13.146 393 HA ALA 51 HA ALA 51 -5.341 -6.462 15.409 394 HB1 ALA 51 1HB ALA 51 -3.077 -7.361 15.088 395 HB2 ALA 51 2HB ALA 51 -3.122 -5.609 14.891 396 HB3 ALA 51 3HB ALA 51 -3.029 -6.653 13.472 397 H ARG 52 HN ARG 52 -4.767 -4.097 14.769 398 HA ARG 52 HA ARG 52 -6.657 -3.322 12.741 399 HB2 ARG 52 2HB ARG 52 -4.898 -1.661 14.545 400 HB3 ARG 52 1HB ARG 52 -6.253 -1.083 13.605 401 HG2 ARG 52 2HG ARG 52 -7.757 -2.515 14.915 402 HG3 ARG 52 1HG ARG 52 -6.377 -3.019 15.893 403 HD2 ARG 52 2HD ARG 52 -6.020 -0.613 16.476 404 HD3 ARG 52 1HD ARG 52 -7.543 -0.248 15.662 405 HE ARG 52 HE ARG 52 -7.511 -2.226 17.835 406 HH11 ARG 52 1HH1 ARG 52 -8.545 0.891 16.592 407 HH12 ARG 52 2HH1 ARG 52 -9.647 1.186 17.911 408 HH21 ARG 52 1HH2 ARG 52 -8.950 -1.831 19.557 409 HH22 ARG 52 2HH2 ARG 52 -9.856 -0.351 19.606 410 HA PRO 53 HA PRO 53 -3.835 -2.517 9.485 411 HB2 PRO 53 2HB PRO 53 -4.617 0.285 9.190 412 HB3 PRO 53 1HB PRO 53 -4.824 -1.054 8.062 413 HG2 PRO 53 2HG PRO 53 -6.904 0.054 9.386 414 HG3 PRO 53 1HG PRO 53 -6.854 -1.661 8.946 415 HD2 PRO 53 2HD PRO 53 -6.371 -0.366 11.591 416 HD3 PRO 53 1HD PRO 53 -7.159 -1.914 11.218 417 H SER 54 HN SER 54 -1.756 -2.328 9.796 418 HA SER 54 HA SER 54 -0.632 0.110 10.939 419 HB2 SER 54 2HB SER 54 0.238 -2.762 11.172 420 HB3 SER 54 1HB SER 54 1.192 -1.403 11.700 421 HG SER 54 HG SER 54 -0.918 -0.898 12.914 422 H TYR 55 HN TYR 55 -1.277 -0.940 8.168 423 HA TYR 55 HA TYR 55 1.358 -1.465 7.040 424 HB2 TYR 55 2HB TYR 55 -1.164 -1.452 5.412 425 HB3 TYR 55 1HB TYR 55 0.276 -2.452 5.233 426 HD1 TYR 55 2HD TYR 55 0.715 -4.174 7.145 427 HD2 TYR 55 1HD TYR 55 -3.048 -2.341 6.405 428 HE1 TYR 55 2HE TYR 55 -0.398 -5.974 8.395 429 HE2 TYR 55 1HE TYR 55 -4.177 -4.128 7.657 430 HH TYR 55 HH TYR 55 -2.575 -6.231 9.689 431 H GLU 56 HN GLU 56 2.440 0.376 6.692 432 HA GLU 56 HA GLU 56 1.045 2.515 5.224 433 HB2 GLU 56 2HB GLU 56 1.936 3.120 7.501 434 HB3 GLU 56 1HB GLU 56 3.552 2.786 6.897 435 HG2 GLU 56 2HG GLU 56 3.226 4.532 5.180 436 HG3 GLU 56 1HG GLU 56 1.659 4.902 5.894 437 H VAL 57 HN VAL 57 2.005 3.311 3.379 438 HA VAL 57 HA VAL 57 4.394 1.864 2.434 439 HB VAL 57 HB VAL 57 2.115 2.932 0.748 440 HG11 VAL 57 1HG1 VAL 57 4.228 3.037 -0.422 441 HG12 VAL 57 2HG1 VAL 57 3.219 1.759 -1.099 442 HG13 VAL 57 3HG1 VAL 57 4.558 1.351 -0.026 443 HG21 VAL 57 3HG2 VAL 57 2.847 0.086 1.428 444 HG22 VAL 57 1HG2 VAL 57 1.596 0.586 0.286 445 HG23 VAL 57 2HG2 VAL 57 1.427 0.965 2.001 446 H PHE 58 HN PHE 58 6.105 3.143 1.993 447 HA PHE 58 HA PHE 58 5.708 5.930 1.318 448 HB2 PHE 58 2HB PHE 58 7.071 6.758 3.207 449 HB3 PHE 58 1HB PHE 58 5.580 6.002 3.754 450 HD1 PHE 58 1HD PHE 58 5.643 3.770 4.823 451 HD2 PHE 58 2HD PHE 58 9.200 5.872 3.800 452 HE1 PHE 58 1HE PHE 58 6.935 2.301 6.315 453 HE2 PHE 58 2HE PHE 58 10.499 4.406 5.291 454 HZ PHE 58 HZ PHE 58 9.367 2.619 6.551 455 H VAL 59 HN VAL 59 7.488 6.920 0.430 456 HA VAL 59 HA VAL 59 10.023 5.450 0.350 457 HB VAL 59 HB VAL 59 8.887 6.758 -2.119 458 HG11 VAL 59 1HG1 VAL 59 11.240 4.914 -1.741 459 HG12 VAL 59 2HG1 VAL 59 11.315 6.657 -2.010 460 HG13 VAL 59 3HG1 VAL 59 10.694 5.597 -3.275 461 HG21 VAL 59 3HG2 VAL 59 7.494 4.839 -1.630 462 HG22 VAL 59 1HG2 VAL 59 8.923 3.821 -1.449 463 HG23 VAL 59 2HG2 VAL 59 8.523 4.501 -3.024 464 H ASP 60 HN ASP 60 11.788 6.798 0.490 465 HA ASP 60 HA ASP 60 11.188 9.628 0.934 466 HB2 ASP 60 2HB ASP 60 12.602 8.296 2.566 467 HB3 ASP 60 1HB ASP 60 13.853 8.256 1.328 468 H LEU 61 HN LEU 61 11.401 11.009 -0.663 469 HA LEU 61 HA LEU 61 13.437 10.488 -2.714 470 HB2 LEU 61 2HB LEU 61 10.547 11.234 -3.134 471 HB3 LEU 61 1HB LEU 61 11.766 11.379 -4.388 472 HG LEU 61 HG LEU 61 11.080 8.789 -3.007 473 HD11 LEU 61 1HD1 LEU 61 9.153 9.580 -4.249 474 HD12 LEU 61 2HD1 LEU 61 9.896 8.206 -5.069 475 HD13 LEU 61 3HD1 LEU 61 10.156 9.840 -5.676 476 HD21 LEU 61 3HD2 LEU 61 12.693 9.408 -5.478 477 HD22 LEU 61 1HD2 LEU 61 12.303 7.796 -4.882 478 HD23 LEU 61 2HD2 LEU 61 13.325 8.862 -3.924 479 H THR 62 HN THR 62 13.531 12.185 -0.434 480 HA THR 62 HA THR 62 12.983 14.879 -1.090 481 HB THR 62 HB THR 62 14.646 15.371 0.757 482 HG1 THR 62 1HG THR 62 14.589 12.565 1.232 483 HG21 THR 62 3HG2 THR 62 12.253 15.145 1.196 484 HG22 THR 62 1HG2 THR 62 13.201 14.475 2.523 485 HG23 THR 62 2HG2 THR 62 12.439 13.397 1.354 486 H GLU 63 HN GLU 63 15.539 12.726 -1.936 487 HA GLU 63 HA GLU 63 17.478 14.691 -2.613 488 HB2 GLU 63 2HB GLU 63 17.230 11.821 -3.482 489 HB3 GLU 63 1HB GLU 63 18.661 12.827 -3.667 490 HG2 GLU 63 2HG GLU 63 17.393 12.116 -1.038 491 HG3 GLU 63 1HG GLU 63 18.771 11.295 -1.748 492 H ALA 64 HN ALA 64 15.055 12.914 -4.421 493 HA ALA 64 HA ALA 64 15.893 14.258 -6.890 494 HB1 ALA 64 1HB ALA 64 14.075 11.879 -6.517 495 HB2 ALA 64 2HB ALA 64 15.768 11.824 -7.005 496 HB3 ALA 64 3HB ALA 64 14.568 12.567 -8.063 497 H GLY 65 HN GLY 65 14.840 16.046 -7.395 498 HA2 GLY 65 2HA GLY 65 12.210 16.519 -6.225 499 HA3 GLY 65 1HA GLY 65 13.270 17.729 -6.911 500 H GLU 66 HN GLU 66 13.391 17.938 -9.167 501 HA GLU 66 HA GLU 66 10.772 17.974 -10.233 502 HB2 GLU 66 2HB GLU 66 11.691 19.162 -12.093 503 HB3 GLU 66 1HB GLU 66 12.480 19.739 -10.636 504 HG2 GLU 66 2HG GLU 66 13.688 17.677 -12.459 505 HG3 GLU 66 1HG GLU 66 13.958 19.408 -12.639 506 H GLY 67 HN GLY 67 10.226 17.309 -12.444 507 HA2 GLY 67 2HA GLY 67 10.012 15.759 -14.117 508 HA3 GLY 67 1HA GLY 67 11.601 15.139 -13.684 509 H SER 68 HN SER 68 9.619 13.420 -14.433 510 HA SER 68 HA SER 68 8.571 12.225 -12.021 511 HB2 SER 68 2HB SER 68 7.296 12.017 -14.093 512 HB3 SER 68 1HB SER 68 8.642 11.176 -14.850 513 HG SER 68 HG SER 68 7.381 9.566 -14.157 514 H HIS 69 HN HIS 69 9.421 10.612 -10.940 515 HA HIS 69 HA HIS 69 11.867 9.360 -11.948 516 HB2 HIS 69 2HB HIS 69 12.546 9.443 -9.353 517 HB3 HIS 69 1HB HIS 69 13.035 10.667 -10.514 518 HD1 HIS 69 1HD HIS 69 10.743 10.119 -7.587 519 HD2 HIS 69 2HD HIS 69 11.926 13.189 -10.127 520 HE1 HIS 69 1HE HIS 69 9.932 12.240 -6.509 521 HE2 HIS 69 2HE HIS 69 10.829 14.091 -7.968 522 H THR 70 HN THR 70 11.987 7.276 -11.715 523 HA THR 70 HA THR 70 9.732 5.948 -10.384 524 HB THR 70 HB THR 70 11.554 4.745 -12.472 525 HG1 THR 70 1HG THR 70 10.640 6.585 -13.426 526 HG21 THR 70 3HG2 THR 70 9.603 3.322 -12.915 527 HG22 THR 70 1HG2 THR 70 8.712 4.154 -11.640 528 HG23 THR 70 2HG2 THR 70 10.131 3.192 -11.239 529 H VAL 71 HN VAL 71 10.156 4.854 -8.555 530 HA VAL 71 HA VAL 71 12.847 3.743 -8.135 531 HB VAL 71 HB VAL 71 12.832 4.530 -5.787 532 HG11 VAL 71 1HG1 VAL 71 14.091 5.760 -7.494 533 HG12 VAL 71 2HG1 VAL 71 13.469 6.840 -6.247 534 HG13 VAL 71 3HG1 VAL 71 12.672 6.756 -7.817 535 HG21 VAL 71 3HG2 VAL 71 11.303 6.304 -5.103 536 HG22 VAL 71 1HG2 VAL 71 10.417 4.846 -5.544 537 HG23 VAL 71 2HG2 VAL 71 10.482 6.210 -6.661 538 H ASP 72 HN ASP 72 12.915 2.305 -6.190 539 HA ASP 72 HA ASP 72 10.861 0.350 -6.274 540 HB2 ASP 72 2HB ASP 72 13.047 0.726 -4.211 541 HB3 ASP 72 1HB ASP 72 12.057 -0.714 -4.404 542 H VAL 73 HN VAL 73 9.299 -0.172 -4.761 543 HA VAL 73 HA VAL 73 8.566 2.023 -2.945 544 HB VAL 73 HB VAL 73 6.833 -0.186 -4.072 545 HG11 VAL 73 1HG1 VAL 73 4.959 1.101 -3.148 546 HG12 VAL 73 2HG1 VAL 73 6.106 2.223 -2.411 547 HG13 VAL 73 3HG1 VAL 73 6.058 0.538 -1.886 548 HG21 VAL 73 3HG2 VAL 73 7.514 1.410 -5.776 549 HG22 VAL 73 1HG2 VAL 73 6.976 2.746 -4.757 550 HG23 VAL 73 2HG2 VAL 73 5.801 1.595 -5.398 551 H GLU 74 HN GLU 74 8.995 1.700 -0.858 552 HA GLU 74 HA GLU 74 9.010 -1.053 0.159 553 HB2 GLU 74 2HB GLU 74 10.477 -0.336 1.925 554 HB3 GLU 74 1HB GLU 74 11.146 0.166 0.382 555 HG2 GLU 74 2HG GLU 74 10.533 2.427 0.761 556 HG3 GLU 74 1HG GLU 74 9.577 1.990 2.179 557 H HIS 75 HN HIS 75 8.190 -1.378 2.364 558 HA HIS 75 HA HIS 75 5.994 0.445 3.030 559 HB2 HIS 75 2HB HIS 75 4.415 -1.498 3.135 560 HB3 HIS 75 1HB HIS 75 4.964 -1.119 1.505 561 HD1 HIS 75 1HD HIS 75 6.082 -2.964 0.217 562 HD2 HIS 75 2HD HIS 75 5.698 -3.858 4.261 563 HE1 HIS 75 1HE HIS 75 6.799 -5.360 0.450 564 HE2 HIS 75 2HE HIS 75 6.691 -5.837 2.923 565 H ARG 76 HN ARG 76 4.962 -0.085 5.101 566 HA ARG 76 HA ARG 76 6.678 -1.689 6.888 567 HB2 ARG 76 2HB ARG 76 6.938 0.786 7.248 568 HB3 ARG 76 1HB ARG 76 5.228 0.860 7.642 569 HG2 ARG 76 2HG ARG 76 5.656 -0.740 9.500 570 HG3 ARG 76 1HG ARG 76 7.378 -0.598 9.157 571 HD2 ARG 76 2HD ARG 76 7.235 1.826 9.565 572 HD3 ARG 76 1HD ARG 76 5.526 1.640 9.960 573 HE ARG 76 HE ARG 76 7.672 0.311 11.493 574 HH11 ARG 76 1HH1 ARG 76 4.711 2.195 11.343 575 HH12 ARG 76 2HH1 ARG 76 4.484 2.190 13.070 576 HH21 ARG 76 1HH2 ARG 76 7.387 0.342 13.760 577 HH22 ARG 76 2HH2 ARG 76 6.012 1.165 14.444 578 H GLY 77 HN GLY 77 5.515 -2.613 8.735 579 HA2 GLY 77 2HA GLY 77 3.232 -2.725 9.794 580 HA3 GLY 77 1HA GLY 77 2.641 -2.974 8.157 581 H PHE 78 HN PHE 78 3.184 -4.919 7.071 582 HA PHE 78 HA PHE 78 3.513 -7.171 8.868 583 HB2 PHE 78 2HB PHE 78 3.039 -8.509 6.779 584 HB3 PHE 78 1HB PHE 78 1.755 -7.405 7.256 585 HD1 PHE 78 1HD PHE 78 1.313 -5.378 5.969 586 HD2 PHE 78 2HD PHE 78 4.258 -8.190 4.746 587 HE1 PHE 78 1HE PHE 78 1.336 -4.368 3.728 588 HE2 PHE 78 2HE PHE 78 4.287 -7.186 2.503 589 HZ PHE 78 HZ PHE 78 2.825 -5.273 1.991 590 HA PRO 79 HA PRO 79 7.803 -7.642 7.962 591 HB2 PRO 79 2HB PRO 79 7.625 -10.459 8.666 592 HB3 PRO 79 1HB PRO 79 8.366 -9.135 9.566 593 HG2 PRO 79 2HG PRO 79 6.110 -10.402 10.392 594 HG3 PRO 79 1HG PRO 79 6.455 -8.702 10.758 595 HD2 PRO 79 2HD PRO 79 4.669 -9.859 8.649 596 HD3 PRO 79 1HD PRO 79 4.396 -8.463 9.713 597 H GLY 80 HN GLY 80 9.295 -8.751 6.602 598 HA2 GLY 80 2HA GLY 80 8.093 -9.698 4.139 599 HA3 GLY 80 1HA GLY 80 9.800 -9.397 4.426 600 H ASP 81 HN ASP 81 7.557 -11.463 6.196 601 HA ASP 81 HA ASP 81 9.361 -13.728 5.862 602 HB2 ASP 81 2HB ASP 81 8.412 -13.201 8.100 603 HB3 ASP 81 1HB ASP 81 6.805 -13.503 7.458 604 H LEU 82 HN LEU 82 6.141 -12.658 5.090 605 HA LEU 82 HA LEU 82 5.343 -15.139 3.860 606 HB2 LEU 82 2HB LEU 82 4.012 -12.431 3.792 607 HB3 LEU 82 1HB LEU 82 3.272 -13.962 3.365 608 HG LEU 82 HG LEU 82 4.255 -13.271 6.134 609 HD11 LEU 82 1HD1 LEU 82 1.450 -13.249 5.028 610 HD12 LEU 82 2HD1 LEU 82 2.393 -11.831 5.485 611 HD13 LEU 82 3HD1 LEU 82 1.904 -12.997 6.715 612 HD21 LEU 82 3HD2 LEU 82 2.962 -15.230 6.803 613 HD22 LEU 82 1HD2 LEU 82 4.222 -15.662 5.650 614 HD23 LEU 82 2HD2 LEU 82 2.544 -15.540 5.119 615 H ALA 83 HN ALA 83 4.275 -14.890 1.583 616 HA ALA 83 HA ALA 83 6.242 -13.793 -0.241 617 HB1 ALA 83 1HB ALA 83 3.584 -15.130 -0.793 618 HB2 ALA 83 2HB ALA 83 5.162 -15.921 -0.793 619 HB3 ALA 83 3HB ALA 83 4.788 -14.698 -2.008 620 H VAL 84 HN VAL 84 6.247 -11.639 -0.372 621 HA VAL 84 HA VAL 84 3.745 -10.181 -0.009 622 HB VAL 84 HB VAL 84 6.590 -9.160 -0.072 623 HG11 VAL 84 1HG1 VAL 84 4.032 -7.755 0.690 624 HG12 VAL 84 2HG1 VAL 84 4.993 -7.455 -0.758 625 HG13 VAL 84 3HG1 VAL 84 5.660 -7.091 0.834 626 HG21 VAL 84 3HG2 VAL 84 6.182 -10.598 1.849 627 HG22 VAL 84 1HG2 VAL 84 4.752 -9.657 2.267 628 HG23 VAL 84 2HG2 VAL 84 6.350 -8.918 2.349 629 H THR 85 HN THR 85 2.643 -9.724 -1.802 630 HA THR 85 HA THR 85 4.148 -8.998 -4.206 631 HB THR 85 HB THR 85 1.190 -9.449 -4.000 632 HG1 THR 85 1HG THR 85 1.879 -11.470 -3.704 633 HG21 THR 85 3HG2 THR 85 1.318 -9.707 -6.434 634 HG22 THR 85 1HG2 THR 85 3.046 -9.364 -6.372 635 HG23 THR 85 2HG2 THR 85 1.882 -8.117 -5.921 636 H VAL 86 HN VAL 86 4.344 -7.046 -4.716 637 HA VAL 86 HA VAL 86 2.405 -4.969 -3.952 638 HB VAL 86 HB VAL 86 4.899 -3.755 -4.444 639 HG11 VAL 86 1HG1 VAL 86 4.722 -2.969 -2.118 640 HG12 VAL 86 2HG1 VAL 86 3.498 -4.198 -1.794 641 HG13 VAL 86 3HG1 VAL 86 3.163 -2.903 -2.942 642 HG21 VAL 86 3HG2 VAL 86 6.326 -4.705 -2.631 643 HG22 VAL 86 1HG2 VAL 86 6.115 -5.748 -4.041 644 HG23 VAL 86 2HG2 VAL 86 5.220 -6.080 -2.553 645 H GLU 87 HN GLU 87 1.669 -3.955 -5.965 646 HA GLU 87 HA GLU 87 3.892 -3.899 -7.834 647 HB2 GLU 87 2HB GLU 87 2.741 -5.953 -8.389 648 HB3 GLU 87 1HB GLU 87 1.242 -5.069 -8.639 649 HG2 GLU 87 2HG GLU 87 2.252 -3.863 -10.496 650 HG3 GLU 87 1HG GLU 87 3.768 -4.723 -10.242 651 HA PRO 88 HA PRO 88 3.743 -1.471 -10.191 652 HB2 PRO 88 2HB PRO 88 4.964 0.803 -9.171 653 HB3 PRO 88 1HB PRO 88 3.334 0.766 -9.832 654 HG2 PRO 88 2HG PRO 88 4.064 1.286 -7.138 655 HG3 PRO 88 1HG PRO 88 2.421 1.033 -7.758 656 HD2 PRO 88 2HD PRO 88 4.289 -0.928 -6.468 657 HD3 PRO 88 1HD PRO 88 2.516 -0.812 -6.349 658 H ARG 89 HN ARG 89 5.812 -2.311 -10.687 659 HA ARG 89 HA ARG 89 7.228 -3.503 -8.495 660 HB2 ARG 89 2HB ARG 89 7.636 -3.308 -11.450 661 HB3 ARG 89 1HB ARG 89 9.052 -3.673 -10.472 662 HG2 ARG 89 2HG ARG 89 6.480 -5.216 -10.344 663 HG3 ARG 89 1HG ARG 89 7.859 -5.650 -11.353 664 HD2 ARG 89 2HD ARG 89 9.260 -5.668 -9.274 665 HD3 ARG 89 1HD ARG 89 7.777 -5.456 -8.346 666 HE ARG 89 HE ARG 89 7.409 -7.681 -9.972 667 HH11 ARG 89 1HH1 ARG 89 9.522 -6.706 -7.354 668 HH12 ARG 89 2HH1 ARG 89 9.757 -8.324 -6.765 669 HH21 ARG 89 1HH2 ARG 89 7.705 -9.801 -9.206 670 HH22 ARG 89 2HH2 ARG 89 8.711 -10.086 -7.813 671 H MET 90 HN MET 90 8.090 -0.948 -10.774 672 HA MET 90 HA MET 90 9.186 0.514 -8.475 673 HB2 MET 90 2HB MET 90 10.030 0.661 -11.381 674 HB3 MET 90 1HB MET 90 10.479 1.859 -10.176 675 HG2 MET 90 2HG MET 90 11.629 0.132 -8.888 676 HG3 MET 90 1HG MET 90 11.202 -1.056 -10.120 677 HE1 MET 90 3HE MET 90 13.870 -1.591 -10.067 678 HE2 MET 90 1HE MET 90 14.187 -0.234 -8.987 679 HE3 MET 90 2HE MET 90 15.098 -0.398 -10.486 680 H ALA 91 HN ALA 91 8.492 2.712 -8.344 681 HA ALA 91 HA ALA 91 6.058 3.172 -9.949 682 HB1 ALA 91 1HB ALA 91 5.079 4.274 -7.996 683 HB2 ALA 91 2HB ALA 91 6.531 3.906 -7.062 684 HB3 ALA 91 3HB ALA 91 5.503 2.598 -7.647 685 H ARG 92 HN ARG 92 5.645 5.209 -10.676 686 HA ARG 92 HA ARG 92 7.950 7.011 -10.526 687 HB2 ARG 92 2HB ARG 92 7.413 7.847 -12.670 688 HB3 ARG 92 1HB ARG 92 7.280 6.104 -12.794 689 HG2 ARG 92 2HG ARG 92 4.906 7.891 -12.355 690 HG3 ARG 92 1HG ARG 92 5.505 7.469 -13.959 691 HD2 ARG 92 2HD ARG 92 4.643 5.473 -11.868 692 HD3 ARG 92 1HD ARG 92 3.616 6.053 -13.179 693 HE ARG 92 HE ARG 92 6.174 4.767 -13.846 694 HH11 ARG 92 1HH1 ARG 92 2.667 4.756 -13.882 695 HH12 ARG 92 2HH1 ARG 92 2.552 3.383 -14.944 696 HH21 ARG 92 1HH2 ARG 92 6.021 2.951 -15.260 697 HH22 ARG 92 2HH2 ARG 92 4.449 2.343 -15.702 698 H VAL 93 HN VAL 93 7.745 8.977 -9.771 699 HA VAL 93 HA VAL 93 5.086 10.142 -9.431 700 HB VAL 93 HB VAL 93 5.581 9.235 -7.246 701 HG11 VAL 93 1HG1 VAL 93 7.981 8.956 -7.462 702 HG12 VAL 93 2HG1 VAL 93 7.602 9.866 -5.997 703 HG13 VAL 93 3HG1 VAL 93 8.206 10.705 -7.427 704 HG21 VAL 93 3HG2 VAL 93 6.118 12.203 -7.288 705 HG22 VAL 93 1HG2 VAL 93 5.616 11.275 -5.875 706 HG23 VAL 93 2HG2 VAL 93 4.533 11.431 -7.258 707 H GLN 94 HN GLN 94 5.012 12.305 -9.820 708 HA GLN 94 HA GLN 94 7.550 13.528 -10.656 709 HB2 GLN 94 2HB GLN 94 6.033 13.364 -12.515 710 HB3 GLN 94 1HB GLN 94 4.719 14.059 -11.569 711 HG2 GLN 94 2HG GLN 94 5.882 16.172 -11.456 712 HG3 GLN 94 1HG GLN 94 7.249 15.498 -12.333 713 HE21 GLN 94 1HE2 GLN 94 5.646 17.763 -12.994 714 HE22 GLN 94 2HE2 GLN 94 4.957 17.441 -14.541 715 H LEU 95 HN LEU 95 8.327 14.999 -9.357 716 HA LEU 95 HA LEU 95 6.462 16.618 -7.759 717 HB2 LEU 95 2HB LEU 95 9.441 16.225 -7.405 718 HB3 LEU 95 1HB LEU 95 8.403 17.179 -6.363 719 HG LEU 95 HG LEU 95 8.221 14.185 -6.731 720 HD11 LEU 95 1HD1 LEU 95 9.294 15.827 -4.441 721 HD12 LEU 95 2HD1 LEU 95 10.244 14.832 -5.542 722 HD13 LEU 95 3HD1 LEU 95 9.089 14.077 -4.445 723 HD21 LEU 95 3HD2 LEU 95 6.063 15.197 -6.226 724 HD22 LEU 95 1HD2 LEU 95 6.773 16.048 -4.853 725 HD23 LEU 95 2HD2 LEU 95 6.669 14.288 -4.842 726 H GLU 96 HN GLU 96 6.186 18.666 -8.384 727 HA GLU 96 HA GLU 96 8.158 19.791 -10.257 728 HB2 GLU 96 2HB GLU 96 5.996 19.202 -11.331 729 HB3 GLU 96 1HB GLU 96 5.177 20.288 -10.219 730 HG2 GLU 96 2HG GLU 96 5.476 21.333 -12.379 731 HG3 GLU 96 1HG GLU 96 6.410 22.177 -11.145 732 H GLU 97 HN GLU 97 8.747 21.911 -9.980 733 HA GLU 97 HA GLU 97 8.459 22.947 -7.337 734 HB2 GLU 97 2HB GLU 97 10.493 23.270 -8.764 735 HB3 GLU 97 1HB GLU 97 9.553 24.358 -9.774 736 HG2 GLU 97 2HG GLU 97 9.222 25.856 -7.892 737 HG3 GLU 97 1HG GLU 97 10.110 24.750 -6.844 738 H ARG 98 HN ARG 98 7.054 24.359 -6.580 739 HA ARG 98 HA ARG 98 5.415 25.904 -6.406 740 HB2 ARG 98 2HB ARG 98 6.549 27.138 -8.136 741 HB3 ARG 98 1HB ARG 98 5.772 26.183 -9.370 742 HG2 ARG 98 2HG ARG 98 3.615 27.137 -8.753 743 HG3 ARG 98 1HG ARG 98 4.394 28.061 -7.462 744 HD2 ARG 98 2HD ARG 98 4.728 28.364 -10.440 745 HD3 ARG 98 1HD ARG 98 4.155 29.562 -9.278 746 HE ARG 98 HE ARG 98 6.748 28.850 -8.542 747 HH11 ARG 98 1HH1 ARG 98 5.120 30.515 -11.151 748 HH12 ARG 98 2HH1 ARG 98 6.533 31.396 -11.637 749 HH21 ARG 98 1HH2 ARG 98 8.594 30.024 -9.130 750 HH22 ARG 98 2HH2 ARG 98 8.515 31.138 -10.467 751 H GLN 99 HN GLN 99 3.218 25.798 -6.343 752 HA GLN 99 HA GLN 99 2.299 23.146 -7.073 753 HB2 GLN 99 2HB GLN 99 2.178 24.402 -4.735 754 HB3 GLN 99 1HB GLN 99 0.651 24.963 -5.404 755 HG2 GLN 99 2HG GLN 99 0.000 22.640 -5.803 756 HG3 GLN 99 1HG GLN 99 1.511 22.116 -5.065 757 HE21 GLN 99 1HE2 GLN 99 0.453 20.984 -3.462 758 HE22 GLN 99 2HE2 GLN 99 -0.332 21.787 -2.138 759 H THR 100 HN THR 100 1.205 22.897 -8.890 760 HA THR 100 HA THR 100 -0.481 25.024 -9.934 761 HB THR 100 HB THR 100 -0.032 22.267 -11.081 762 HG1 THR 100 1HG THR 100 1.800 22.969 -11.930 763 HG21 THR 100 3HG2 THR 100 -0.658 23.318 -13.207 764 HG22 THR 100 1HG2 THR 100 -0.914 24.851 -12.377 765 HG23 THR 100 2HG2 THR 100 -1.951 23.471 -12.019 766 H VAL 101 HN VAL 101 -0.694 22.189 -8.106 767 HA VAL 101 HA VAL 101 -3.571 21.899 -8.616 768 HB VAL 101 HB VAL 101 -3.370 19.656 -7.582 769 HG11 VAL 101 1HG1 VAL 101 -3.211 19.953 -10.018 770 HG12 VAL 101 2HG1 VAL 101 -2.259 18.579 -9.452 771 HG13 VAL 101 3HG1 VAL 101 -1.458 20.093 -9.877 772 HG21 VAL 101 3HG2 VAL 101 -1.149 18.685 -7.208 773 HG22 VAL 101 1HG2 VAL 101 -1.436 20.068 -6.151 774 HG23 VAL 101 2HG2 VAL 101 -0.404 20.244 -7.571 775 H SER 102 HN SER 102 -4.919 21.326 -6.757 776 HA SER 102 HA SER 102 -3.907 22.413 -4.218 777 HB2 SER 102 2HB SER 102 -6.653 22.892 -5.414 778 HB3 SER 102 1HB SER 102 -6.128 23.422 -3.815 779 HG SER 102 HG SER 102 -4.338 24.491 -5.113 780 H VAL 103 HN VAL 103 -3.964 20.888 -2.710 781 HA VAL 103 HA VAL 103 -5.661 18.554 -3.110 782 HB VAL 103 HB VAL 103 -3.494 19.012 -1.055 783 HG11 VAL 103 1HG1 VAL 103 -4.913 16.483 -1.884 784 HG12 VAL 103 2HG1 VAL 103 -5.112 17.332 -0.351 785 HG13 VAL 103 3HG1 VAL 103 -3.567 16.584 -0.750 786 HG21 VAL 103 3HG2 VAL 103 -2.119 17.549 -2.479 787 HG22 VAL 103 1HG2 VAL 103 -2.568 19.045 -3.296 788 HG23 VAL 103 2HG2 VAL 103 -3.400 17.542 -3.688 789 HA PRO 104 HA PRO 104 -8.378 20.174 0.104 790 HB2 PRO 104 2HB PRO 104 -10.218 18.084 -0.662 791 HB3 PRO 104 1HB PRO 104 -10.371 19.825 -0.914 792 HG2 PRO 104 2HG PRO 104 -10.013 18.007 -2.936 793 HG3 PRO 104 1HG PRO 104 -9.545 19.712 -3.040 794 HD2 PRO 104 2HD PRO 104 -7.856 17.309 -2.475 795 HD3 PRO 104 1HD PRO 104 -7.487 18.738 -3.466 796 H VAL 105 HN VAL 105 -7.458 19.528 1.991 797 HA VAL 105 HA VAL 105 -6.880 16.794 2.551 798 HB VAL 105 HB VAL 105 -6.345 17.591 4.858 799 HG11 VAL 105 1HG1 VAL 105 -5.110 19.185 2.612 800 HG12 VAL 105 2HG1 VAL 105 -4.653 17.552 3.089 801 HG13 VAL 105 3HG1 VAL 105 -4.392 18.898 4.198 802 HG21 VAL 105 3HG2 VAL 105 -7.107 20.288 3.740 803 HG22 VAL 105 1HG2 VAL 105 -6.318 20.002 5.292 804 HG23 VAL 105 2HG2 VAL 105 -7.956 19.411 5.015 805 H THR 106 HN THR 106 -8.156 15.280 3.280 806 HA THR 106 HA THR 106 -10.288 15.812 5.145 807 HB THR 106 HB THR 106 -10.955 14.726 2.390 808 HG1 THR 106 1HG THR 106 -10.807 17.219 3.250 809 HG21 THR 106 3HG2 THR 106 -12.743 15.216 4.775 810 HG22 THR 106 1HG2 THR 106 -12.253 13.637 4.160 811 HG23 THR 106 2HG2 THR 106 -13.268 14.690 3.177 812 H VAL 107 HN VAL 107 -10.607 14.070 6.426 813 HA VAL 107 HA VAL 107 -9.427 11.529 5.551 814 HB VAL 107 HB VAL 107 -8.145 12.397 7.396 815 HG11 VAL 107 1HG1 VAL 107 -9.763 13.929 8.354 816 HG12 VAL 107 2HG1 VAL 107 -9.132 12.846 9.596 817 HG13 VAL 107 3HG1 VAL 107 -10.739 12.573 8.920 818 HG21 VAL 107 3HG2 VAL 107 -8.547 9.987 7.326 819 HG22 VAL 107 1HG2 VAL 107 -9.962 10.194 8.358 820 HG23 VAL 107 2HG2 VAL 107 -8.354 10.567 8.980 821 H GLU 108 HN GLU 108 -10.853 9.994 5.172 822 HA GLU 108 HA GLU 108 -13.576 10.273 6.134 823 HB2 GLU 108 2HB GLU 108 -12.345 8.165 4.345 824 HB3 GLU 108 1HB GLU 108 -14.056 8.320 4.703 825 HG2 GLU 108 2HG GLU 108 -13.845 9.273 2.603 826 HG3 GLU 108 1HG GLU 108 -13.856 10.666 3.684 827 H MET 109 HN MET 109 -14.499 9.074 7.691 828 HA MET 109 HA MET 109 -12.821 7.468 9.387 829 HB2 MET 109 2HB MET 109 -14.629 8.838 10.334 830 HB3 MET 109 1HB MET 109 -15.820 7.904 9.440 831 HG2 MET 109 2HG MET 109 -15.138 5.891 10.701 832 HG3 MET 109 1HG MET 109 -14.036 6.894 11.642 833 HE1 MET 109 3HE MET 109 -15.694 9.576 11.993 834 HE2 MET 109 1HE MET 109 -14.841 8.807 13.333 835 HE3 MET 109 2HE MET 109 -16.528 9.282 13.517 836 H ILE 110 HN ILE 110 -15.816 6.765 7.612 837 HA ILE 110 HA ILE 110 -16.649 4.893 6.666 838 HB ILE 110 HB ILE 110 -13.768 4.073 6.259 839 HG12 ILE 110 2HG1 ILE 110 -15.550 5.763 4.487 840 HG13 ILE 110 1HG1 ILE 110 -14.198 6.373 5.438 841 HG21 ILE 110 1HG2 ILE 110 -16.284 3.380 4.746 842 HG22 ILE 110 2HG2 ILE 110 -15.399 2.305 5.828 843 HG23 ILE 110 3HG2 ILE 110 -14.652 2.860 4.327 844 HD11 ILE 110 3HD1 ILE 110 -14.011 4.383 3.188 845 HD12 ILE 110 1HD1 ILE 110 -12.660 5.017 4.125 846 HD13 ILE 110 2HD1 ILE 110 -13.600 6.097 3.096 847 H ASN 111 HN ASN 111 -17.348 4.406 8.898 848 HA ASN 111 HA ASN 111 -15.951 2.175 10.146 849 HB2 ASN 111 2HB ASN 111 -16.880 3.954 11.586 850 HB3 ASN 111 1HB ASN 111 -18.495 3.584 10.989 851 HD21 ASN 111 1HD2 ASN 111 -19.595 1.845 11.814 852 HD22 ASN 111 2HD2 ASN 111 -19.000 0.876 13.123 853 H LEU 112 HN LEU 112 -16.241 0.704 8.417 854 HA LEU 112 HA LEU 112 -18.929 -0.134 7.751 855 HB2 LEU 112 2HB LEU 112 -16.250 -1.246 6.910 856 HB3 LEU 112 1HB LEU 112 -17.799 -1.793 6.298 857 HG LEU 112 HG LEU 112 -16.636 0.970 5.923 858 HD11 LEU 112 1HD1 LEU 112 -17.014 -1.292 3.968 859 HD12 LEU 112 2HD1 LEU 112 -15.475 -0.734 4.621 860 HD13 LEU 112 3HD1 LEU 112 -16.428 0.327 3.581 861 HD21 LEU 112 3HD2 LEU 112 -19.176 -0.259 4.864 862 HD22 LEU 112 1HD2 LEU 112 -18.525 1.314 4.402 863 HD23 LEU 112 2HD2 LEU 112 -19.059 1.033 6.059 864 H GLU 113 HN GLU 113 -19.624 -0.795 9.800 865 HA GLU 113 HA GLU 113 -18.308 -2.853 11.254 866 HB2 GLU 113 2HB GLU 113 -20.578 -2.958 12.460 867 HB3 GLU 113 1HB GLU 113 -19.650 -1.470 12.578 868 HG2 GLU 113 2HG GLU 113 -21.039 -0.440 10.874 869 HG3 GLU 113 1HG GLU 113 -21.941 -1.942 10.683 870 H HIS 114 HN HIS 114 -17.955 -4.545 9.851 871 HA HIS 114 HA HIS 114 -20.304 -5.896 8.744 872 HB2 HIS 114 2HB HIS 114 -17.352 -6.320 8.245 873 HB3 HIS 114 1HB HIS 114 -18.619 -7.328 7.558 874 HD1 HIS 114 1HD HIS 114 -16.573 -5.540 5.920 875 HD2 HIS 114 2HD HIS 114 -20.535 -4.605 6.772 876 HE1 HIS 114 1HE HIS 114 -17.274 -3.886 4.162 877 HE2 HIS 114 2HE HIS 114 -19.734 -3.515 4.564 878 H HIS 115 HN HIS 115 -21.177 -6.842 10.559 879 HA HIS 115 HA HIS 115 -19.507 -8.736 12.038 880 HB2 HIS 115 2HB HIS 115 -21.018 -7.195 13.296 881 HB3 HIS 115 1HB HIS 115 -22.398 -7.954 12.511 882 HD1 HIS 115 1HD HIS 115 -23.522 -9.231 14.321 883 HD2 HIS 115 2HD HIS 115 -19.393 -9.764 14.345 884 HE1 HIS 115 1HE HIS 115 -23.064 -10.944 16.104 885 HE2 HIS 115 2HE HIS 115 -20.592 -11.410 15.946 886 H HIS 116 HN HIS 116 -19.300 -10.652 11.092 887 HA HIS 116 HA HIS 116 -21.464 -11.561 9.318 888 HB2 HIS 116 2HB HIS 116 -18.989 -11.187 8.559 889 HB3 HIS 116 1HB HIS 116 -18.702 -12.737 9.339 890 HD1 HIS 116 1HD HIS 116 -20.327 -11.173 6.372 891 HD2 HIS 116 2HD HIS 116 -19.815 -14.964 8.013 892 HE1 HIS 116 1HE HIS 116 -21.028 -12.796 4.577 893 HE2 HIS 116 2HE HIS 116 -20.909 -15.065 5.669 894 H HIS 117 HN HIS 117 -22.448 -13.496 9.593 895 HA HIS 117 HA HIS 117 -21.738 -14.998 12.033 896 HB2 HIS 117 2HB HIS 117 -24.355 -14.926 10.506 897 HB3 HIS 117 1HB HIS 117 -24.045 -15.896 11.940 898 HD1 HIS 117 1HD HIS 117 -24.078 -14.698 14.221 899 HD2 HIS 117 2HD HIS 117 -24.734 -12.181 10.970 900 HE1 HIS 117 1HE HIS 117 -24.942 -12.543 15.188 901 HE2 HIS 117 2HE HIS 117 -25.532 -11.124 13.189 902 H HIS 118 HN HIS 118 -22.561 -17.420 11.773 903 HA HIS 118 HA HIS 118 -21.687 -18.364 9.125 904 HB2 HIS 118 2HB HIS 118 -21.112 -19.516 11.847 905 HB3 HIS 118 1HB HIS 118 -21.000 -20.494 10.388 906 HD1 HIS 118 1HD HIS 118 -19.143 -19.803 8.642 907 HD2 HIS 118 2HD HIS 118 -18.979 -17.816 12.300 908 HE1 HIS 118 1HE HIS 118 -16.873 -18.724 8.733 909 HE2 HIS 118 2HE HIS 118 -16.773 -17.550 10.961 910 H HIS 119 HN HIS 119 -23.680 -18.543 8.241 911 HA HIS 119 HA HIS 119 -25.587 -20.345 9.562 912 HB2 HIS 119 2HB HIS 119 -26.484 -18.143 8.892 913 HB3 HIS 119 1HB HIS 119 -26.001 -18.454 7.229 914 HD1 HIS 119 1HD HIS 119 -28.770 -18.886 9.558 915 HD2 HIS 119 2HD HIS 119 -27.501 -20.666 6.016 916 HE1 HIS 119 1HE HIS 119 -30.763 -20.143 8.672 917 HE2 HIS 119 2HE HIS 119 -29.912 -21.364 6.636 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -7.808 -31.686 8.515 2 H2 MET 1 H2 MET 1 -9.328 -31.624 7.766 3 H3 MET 1 H3 MET 1 -8.409 -30.208 7.934 4 HA MET 1 HA MET 1 -7.733 -32.561 6.268 5 HB2 MET 1 2HB MET 1 -8.612 -29.756 5.573 6 HB3 MET 1 1HB MET 1 -7.919 -30.867 4.406 7 HG2 MET 1 2HG MET 1 -9.760 -32.439 4.830 8 HG3 MET 1 1HG MET 1 -10.472 -31.267 5.940 9 HE1 MET 1 2HE MET 1 -11.527 -28.963 5.205 10 HE2 MET 1 3HE MET 1 -11.435 -28.323 3.564 11 HE3 MET 1 1HE MET 1 -9.968 -28.498 4.529 12 HA PRO 2 HA PRO 2 -3.643 -30.842 6.754 13 HB2 PRO 2 2HB PRO 2 -2.306 -33.008 5.963 14 HB3 PRO 2 1HB PRO 2 -3.223 -33.001 7.474 15 HG2 PRO 2 2HG PRO 2 -3.859 -34.298 4.880 16 HG3 PRO 2 1HG PRO 2 -4.293 -34.793 6.522 17 HD2 PRO 2 2HD PRO 2 -5.912 -33.376 4.654 18 HD3 PRO 2 1HD PRO 2 -6.297 -33.762 6.343 19 H THR 3 HN THR 3 -5.220 -31.422 3.837 20 HA THR 3 HA THR 3 -2.917 -31.416 2.121 21 HB THR 3 HB THR 3 -5.674 -31.048 1.120 22 HG1 THR 3 1HG THR 3 -4.781 -33.649 1.726 23 HG21 THR 3 3HG2 THR 3 -4.881 -32.581 -0.644 24 HG22 THR 3 1HG2 THR 3 -3.337 -32.734 0.198 25 HG23 THR 3 2HG2 THR 3 -3.821 -31.181 -0.482 26 H PHE 4 HN PHE 4 -3.882 -29.066 3.796 27 HA PHE 4 HA PHE 4 -4.332 -26.967 1.933 28 HB2 PHE 4 2HB PHE 4 -3.677 -27.023 4.840 29 HB3 PHE 4 1HB PHE 4 -3.745 -25.517 3.953 30 HD1 PHE 4 1HD PHE 4 -5.903 -24.919 2.771 31 HD2 PHE 4 2HD PHE 4 -5.615 -28.034 5.654 32 HE1 PHE 4 1HE PHE 4 -8.341 -24.843 3.093 33 HE2 PHE 4 2HE PHE 4 -8.050 -27.964 5.978 34 HZ PHE 4 HZ PHE 4 -9.419 -26.367 4.697 35 H ASP 5 HN ASP 5 -2.922 -25.416 1.198 36 HA ASP 5 HA ASP 5 -0.067 -25.889 1.633 37 HB2 ASP 5 2HB ASP 5 -0.661 -26.998 -0.480 38 HB3 ASP 5 1HB ASP 5 -1.375 -25.503 -1.075 39 H HIS 6 HN HIS 6 0.037 -24.110 2.905 40 HA HIS 6 HA HIS 6 0.640 -21.947 3.321 41 HB2 HIS 6 2HB HIS 6 0.181 -21.527 0.358 42 HB3 HIS 6 1HB HIS 6 0.837 -20.317 1.450 43 HD1 HIS 6 1HD HIS 6 1.748 -23.279 -0.558 44 HD2 HIS 6 2HD HIS 6 3.488 -20.859 2.346 45 HE1 HIS 6 1HE HIS 6 4.213 -23.757 -0.661 46 HE2 HIS 6 2HE HIS 6 5.255 -22.080 0.900 47 H GLY 7 HN GLY 7 -0.305 -19.589 2.780 48 HA2 GLY 7 2HA GLY 7 -3.169 -19.616 2.267 49 HA3 GLY 7 1HA GLY 7 -2.663 -19.059 3.862 50 H ASN 8 HN ASN 8 -3.991 -17.373 2.034 51 HA ASN 8 HA ASN 8 -1.979 -15.311 1.889 52 HB2 ASN 8 2HB ASN 8 -2.790 -14.734 -0.503 53 HB3 ASN 8 1HB ASN 8 -1.573 -15.980 -0.279 54 HD21 ASN 8 1HD2 ASN 8 -1.949 -17.085 -2.097 55 HD22 ASN 8 2HD2 ASN 8 -3.409 -17.954 -2.411 56 H LEU 9 HN LEU 9 -2.768 -13.225 1.693 57 HA LEU 9 HA LEU 9 -5.638 -12.914 2.246 58 HB2 LEU 9 2HB LEU 9 -4.376 -12.985 4.371 59 HB3 LEU 9 1HB LEU 9 -3.374 -11.661 3.813 60 HG LEU 9 HG LEU 9 -5.422 -10.229 3.728 61 HD11 LEU 9 1HD1 LEU 9 -7.073 -12.012 3.516 62 HD12 LEU 9 2HD1 LEU 9 -7.412 -10.990 4.915 63 HD13 LEU 9 3HD1 LEU 9 -6.675 -12.579 5.139 64 HD21 LEU 9 3HD2 LEU 9 -3.877 -10.156 5.618 65 HD22 LEU 9 1HD2 LEU 9 -4.759 -11.470 6.396 66 HD23 LEU 9 2HD2 LEU 9 -5.541 -9.910 6.148 67 H SER 10 HN SER 10 -6.536 -11.108 1.365 68 HA SER 10 HA SER 10 -4.780 -9.477 -0.305 69 HB2 SER 10 2HB SER 10 -7.048 -8.723 -1.278 70 HB3 SER 10 1HB SER 10 -6.519 -10.369 -1.620 71 HG SER 10 HG SER 10 -8.744 -9.533 -0.363 72 H LEU 11 HN LEU 11 -4.133 -7.594 0.512 73 HA LEU 11 HA LEU 11 -5.565 -6.343 2.692 74 HB2 LEU 11 2HB LEU 11 -3.152 -5.393 1.144 75 HB3 LEU 11 1HB LEU 11 -3.777 -4.652 2.602 76 HG LEU 11 HG LEU 11 -2.584 -7.421 2.400 77 HD11 LEU 11 1HD1 LEU 11 -1.534 -4.905 3.688 78 HD12 LEU 11 2HD1 LEU 11 -0.934 -5.629 2.195 79 HD13 LEU 11 3HD1 LEU 11 -0.765 -6.494 3.725 80 HD21 LEU 11 3HD2 LEU 11 -3.593 -5.904 4.803 81 HD22 LEU 11 1HD2 LEU 11 -2.758 -7.455 4.840 82 HD23 LEU 11 2HD2 LEU 11 -4.346 -7.326 4.085 83 H GLY 12 HN GLY 12 -5.028 -5.831 -0.730 84 HA2 GLY 12 2HA GLY 12 -6.697 -4.861 -2.121 85 HA3 GLY 12 1HA GLY 12 -7.288 -3.960 -0.732 86 H GLU 13 HN GLU 13 -7.228 -2.036 -1.962 87 HA GLU 13 HA GLU 13 -4.633 -1.129 -2.896 88 HB2 GLU 13 2HB GLU 13 -5.918 0.858 -3.724 89 HB3 GLU 13 1HB GLU 13 -6.406 -0.681 -4.415 90 HG2 GLU 13 2HG GLU 13 -7.859 0.624 -2.127 91 HG3 GLU 13 1HG GLU 13 -8.253 0.915 -3.818 92 H LEU 14 HN LEU 14 -3.323 -0.316 -1.466 93 HA LEU 14 HA LEU 14 -4.375 1.146 0.841 94 HB2 LEU 14 2HB LEU 14 -1.594 0.118 0.272 95 HB3 LEU 14 1HB LEU 14 -2.108 0.900 1.755 96 HG LEU 14 HG LEU 14 -3.146 -1.743 0.721 97 HD11 LEU 14 1HD1 LEU 14 -0.841 -1.885 1.505 98 HD12 LEU 14 2HD1 LEU 14 -1.939 -2.708 2.612 99 HD13 LEU 14 3HD1 LEU 14 -1.302 -1.115 3.023 100 HD21 LEU 14 3HD2 LEU 14 -4.825 -0.474 1.987 101 HD22 LEU 14 1HD2 LEU 14 -3.687 -0.311 3.323 102 HD23 LEU 14 2HD2 LEU 14 -4.287 -1.905 2.869 103 H GLU 15 HN GLU 15 -3.422 3.143 1.469 104 HA GLU 15 HA GLU 15 -3.108 4.935 -0.730 105 HB2 GLU 15 2HB GLU 15 -2.776 5.394 2.242 106 HB3 GLU 15 1HB GLU 15 -2.869 6.658 1.022 107 HG2 GLU 15 2HG GLU 15 -5.138 6.044 0.498 108 HG3 GLU 15 1HG GLU 15 -5.047 4.663 1.593 109 H LEU 16 HN LEU 16 -1.275 5.438 -1.751 110 HA LEU 16 HA LEU 16 1.276 4.635 -0.620 111 HB2 LEU 16 2HB LEU 16 0.902 4.217 -2.978 112 HB3 LEU 16 1HB LEU 16 0.552 5.912 -3.256 113 HG LEU 16 HG LEU 16 2.888 6.478 -2.670 114 HD11 LEU 16 1HD1 LEU 16 4.550 4.719 -2.476 115 HD12 LEU 16 2HD1 LEU 16 3.285 3.494 -2.574 116 HD13 LEU 16 3HD1 LEU 16 3.347 4.590 -1.193 117 HD21 LEU 16 3HD2 LEU 16 2.557 4.431 -4.857 118 HD22 LEU 16 1HD2 LEU 16 3.927 5.529 -4.692 119 HD23 LEU 16 2HD2 LEU 16 2.314 6.174 -4.993 120 H THR 17 HN THR 17 2.441 5.931 0.614 121 HA THR 17 HA THR 17 1.899 8.816 0.536 122 HB THR 17 HB THR 17 3.459 7.258 2.613 123 HG1 THR 17 1HG THR 17 1.294 6.600 2.622 124 HG21 THR 17 3HG2 THR 17 3.087 9.246 4.011 125 HG22 THR 17 1HG2 THR 17 2.288 10.045 2.656 126 HG23 THR 17 2HG2 THR 17 4.003 9.643 2.557 127 H VAL 18 HN VAL 18 3.415 10.242 -0.147 128 HA VAL 18 HA VAL 18 6.066 9.186 -0.866 129 HB VAL 18 HB VAL 18 4.684 11.708 -1.820 130 HG11 VAL 18 1HG1 VAL 18 6.541 11.883 -3.414 131 HG12 VAL 18 2HG1 VAL 18 7.318 10.494 -2.653 132 HG13 VAL 18 3HG1 VAL 18 7.098 11.989 -1.743 133 HG21 VAL 18 3HG2 VAL 18 3.652 9.708 -2.738 134 HG22 VAL 18 1HG2 VAL 18 5.229 9.106 -3.247 135 HG23 VAL 18 2HG2 VAL 18 4.558 10.558 -3.988 136 H LEU 19 HN LEU 19 7.688 9.683 0.470 137 HA LEU 19 HA LEU 19 7.183 11.677 2.527 138 HB2 LEU 19 2HB LEU 19 8.238 9.232 2.722 139 HB3 LEU 19 1HB LEU 19 9.719 10.119 2.421 140 HG LEU 19 HG LEU 19 7.802 10.678 4.691 141 HD11 LEU 19 1HD1 LEU 19 9.537 9.700 6.120 142 HD12 LEU 19 2HD1 LEU 19 10.463 9.257 4.686 143 HD13 LEU 19 3HD1 LEU 19 8.885 8.528 4.978 144 HD21 LEU 19 3HD2 LEU 19 10.553 11.772 4.115 145 HD22 LEU 19 1HD2 LEU 19 9.607 12.080 5.572 146 HD23 LEU 19 2HD2 LEU 19 9.034 12.662 4.009 147 H TYR 20 HN TYR 20 7.722 13.661 2.173 148 HA TYR 20 HA TYR 20 10.330 14.557 1.739 149 HB2 TYR 20 2HB TYR 20 9.786 13.811 -0.632 150 HB3 TYR 20 1HB TYR 20 8.532 15.050 -0.653 151 HD1 TYR 20 1HD TYR 20 12.169 14.737 0.145 152 HD2 TYR 20 2HD TYR 20 9.087 17.093 -1.598 153 HE1 TYR 20 1HE TYR 20 13.842 16.391 -0.556 154 HE2 TYR 20 2HE TYR 20 10.753 18.759 -2.308 155 HH TYR 20 HH TYR 20 13.070 19.478 -1.574 156 H ASP 21 HN ASP 21 10.432 16.760 2.263 157 HA ASP 21 HA ASP 21 7.922 17.852 3.268 158 HB2 ASP 21 2HB ASP 21 9.841 17.876 4.774 159 HB3 ASP 21 1HB ASP 21 10.777 18.802 3.606 160 H GLU 22 HN GLU 22 7.289 20.015 2.834 161 HA GLU 22 HA GLU 22 7.438 20.630 0.031 162 HB2 GLU 22 2HB GLU 22 5.820 22.427 0.648 163 HB3 GLU 22 1HB GLU 22 5.320 20.825 1.173 164 HG2 GLU 22 2HG GLU 22 6.388 21.445 3.421 165 HG3 GLU 22 1HG GLU 22 6.357 23.101 2.819 166 H GLU 23 HN GLU 23 9.916 20.861 1.293 167 HA GLU 23 HA GLU 23 10.481 23.576 2.026 168 HB2 GLU 23 2HB GLU 23 12.831 22.703 2.165 169 HB3 GLU 23 1HB GLU 23 11.664 21.845 3.163 170 HG2 GLU 23 2HG GLU 23 11.540 20.059 1.522 171 HG3 GLU 23 1HG GLU 23 12.655 20.925 0.469 172 H ARG 24 HN ARG 24 10.608 21.750 -0.937 173 HA ARG 24 HA ARG 24 11.939 23.989 -2.255 174 HB2 ARG 24 2HB ARG 24 13.489 21.957 -1.396 175 HB3 ARG 24 1HB ARG 24 13.030 21.335 -2.974 176 HG2 ARG 24 2HG ARG 24 15.125 22.505 -3.139 177 HG3 ARG 24 1HG ARG 24 13.880 23.405 -4.011 178 HD2 ARG 24 2HD ARG 24 13.689 25.003 -2.270 179 HD3 ARG 24 1HD ARG 24 14.641 24.014 -1.163 180 HE ARG 24 HE ARG 24 16.097 24.800 -3.517 181 HH11 ARG 24 1HH1 ARG 24 15.089 25.789 -0.322 182 HH12 ARG 24 2HH1 ARG 24 16.390 26.917 -0.104 183 HH21 ARG 24 1HH2 ARG 24 17.870 26.234 -3.225 184 HH22 ARG 24 2HH2 ARG 24 18.008 27.127 -1.736 185 H TYR 25 HN TYR 25 10.583 20.715 -2.738 186 HA TYR 25 HA TYR 25 9.653 21.631 -5.375 187 HB2 TYR 25 2HB TYR 25 10.430 18.827 -4.550 188 HB3 TYR 25 1HB TYR 25 9.821 19.297 -6.134 189 HD1 TYR 25 2HD TYR 25 11.199 20.871 -7.543 190 HD2 TYR 25 1HD TYR 25 12.720 19.042 -4.015 191 HE1 TYR 25 2HE TYR 25 13.489 21.372 -8.275 192 HE2 TYR 25 1HE TYR 25 15.017 19.543 -4.739 193 HH TYR 25 HH TYR 25 16.219 19.986 -6.870 194 H ASP 26 HN ASP 26 7.652 20.796 -6.131 195 HA ASP 26 HA ASP 26 5.845 19.936 -3.966 196 HB2 ASP 26 2HB ASP 26 5.640 22.297 -5.230 197 HB3 ASP 26 1HB ASP 26 4.709 21.306 -6.341 198 H ILE 27 HN ILE 27 3.863 18.822 -4.855 199 HA ILE 27 HA ILE 27 4.894 16.589 -6.413 200 HB ILE 27 HB ILE 27 2.212 16.889 -5.052 201 HG12 ILE 27 2HG1 ILE 27 4.725 15.489 -4.093 202 HG13 ILE 27 1HG1 ILE 27 4.104 17.010 -3.462 203 HG21 ILE 27 1HG2 ILE 27 2.088 14.450 -5.248 204 HG22 ILE 27 2HG2 ILE 27 3.610 14.447 -6.140 205 HG23 ILE 27 3HG2 ILE 27 2.186 15.229 -6.827 206 HD11 ILE 27 3HD1 ILE 27 3.569 15.128 -2.011 207 HD12 ILE 27 1HD1 ILE 27 2.687 14.360 -3.330 208 HD13 ILE 27 2HD1 ILE 27 2.113 15.887 -2.658 209 H VAL 28 HN VAL 28 4.593 16.400 -8.520 210 HA VAL 28 HA VAL 28 2.350 17.817 -9.779 211 HB VAL 28 HB VAL 28 4.802 16.569 -11.038 212 HG11 VAL 28 1HG1 VAL 28 4.025 17.588 -13.130 213 HG12 VAL 28 2HG1 VAL 28 2.544 18.108 -12.325 214 HG13 VAL 28 3HG1 VAL 28 2.878 16.388 -12.532 215 HG21 VAL 28 3HG2 VAL 28 5.273 18.625 -9.824 216 HG22 VAL 28 1HG2 VAL 28 3.972 19.447 -10.685 217 HG23 VAL 28 2HG2 VAL 28 5.398 18.894 -11.565 218 H GLU 29 HN GLU 29 3.916 14.609 -9.720 219 HA GLU 29 HA GLU 29 1.268 13.460 -10.109 220 HB2 GLU 29 2HB GLU 29 1.879 11.989 -11.853 221 HB3 GLU 29 1HB GLU 29 2.472 13.568 -12.348 222 HG2 GLU 29 2HG GLU 29 4.706 12.992 -11.832 223 HG3 GLU 29 1HG GLU 29 4.207 11.530 -10.984 224 H GLN 30 HN GLN 30 1.068 11.305 -9.388 225 HA GLN 30 HA GLN 30 3.206 9.824 -8.267 226 HB2 GLN 30 2HB GLN 30 2.519 9.912 -5.904 227 HB3 GLN 30 1HB GLN 30 3.032 11.493 -6.471 228 HG2 GLN 30 2HG GLN 30 0.749 12.219 -6.672 229 HG3 GLN 30 1HG GLN 30 0.167 10.609 -6.253 230 HE21 GLN 30 1HE2 GLN 30 -0.984 11.353 -4.480 231 HE22 GLN 30 2HE2 GLN 30 -0.207 11.889 -3.031 232 H THR 31 HN THR 31 2.237 7.906 -6.990 233 HA THR 31 HA THR 31 -0.121 7.009 -8.457 234 HB THR 31 HB THR 31 1.602 5.408 -6.554 235 HG1 THR 31 1HG THR 31 2.258 6.428 -8.913 236 HG21 THR 31 3HG2 THR 31 -0.578 4.412 -7.045 237 HG22 THR 31 1HG2 THR 31 0.720 3.487 -7.802 238 HG23 THR 31 2HG2 THR 31 -0.270 4.575 -8.775 239 H GLU 32 HN GLU 32 -2.075 6.705 -7.515 240 HA GLU 32 HA GLU 32 -2.561 8.021 -5.029 241 HB2 GLU 32 2HB GLU 32 -4.441 6.323 -6.677 242 HB3 GLU 32 1HB GLU 32 -4.900 7.482 -5.437 243 HG2 GLU 32 2HG GLU 32 -4.293 9.313 -6.759 244 HG3 GLU 32 1HG GLU 32 -3.362 8.310 -7.871 245 H THR 33 HN THR 33 -3.520 4.744 -6.007 246 HA THR 33 HA THR 33 -2.805 3.805 -3.320 247 HB THR 33 HB THR 33 -4.820 2.221 -3.601 248 HG1 THR 33 1HG THR 33 -6.514 3.458 -4.866 249 HG21 THR 33 3HG2 THR 33 -5.328 5.164 -3.159 250 HG22 THR 33 1HG2 THR 33 -4.725 4.036 -1.948 251 HG23 THR 33 2HG2 THR 33 -6.347 3.837 -2.603 252 H VAL 34 HN VAL 34 -2.210 1.609 -3.164 253 HA VAL 34 HA VAL 34 -1.594 0.294 -5.734 254 HB VAL 34 HB VAL 34 0.383 -0.737 -4.556 255 HG11 VAL 34 1HG1 VAL 34 0.687 1.019 -6.169 256 HG12 VAL 34 2HG1 VAL 34 1.814 1.249 -4.833 257 HG13 VAL 34 3HG1 VAL 34 0.364 2.248 -4.944 258 HG21 VAL 34 3HG2 VAL 34 1.284 0.439 -2.594 259 HG22 VAL 34 1HG2 VAL 34 -0.277 -0.308 -2.251 260 HG23 VAL 34 2HG2 VAL 34 -0.174 1.431 -2.528 261 H GLN 35 HN GLN 35 -1.786 -1.961 -5.781 262 HA GLN 35 HA GLN 35 -3.609 -2.974 -3.747 263 HB2 GLN 35 2HB GLN 35 -4.206 -3.138 -6.148 264 HB3 GLN 35 1HB GLN 35 -2.819 -4.185 -6.401 265 HG2 GLN 35 2HG GLN 35 -3.764 -5.885 -5.020 266 HG3 GLN 35 1HG GLN 35 -5.069 -4.814 -4.510 267 HE21 GLN 35 1HE2 GLN 35 -5.156 -7.425 -5.832 268 HE22 GLN 35 2HE2 GLN 35 -6.092 -7.177 -7.272 269 H VAL 36 HN VAL 36 -2.825 -4.079 -2.118 270 HA VAL 36 HA VAL 36 -0.281 -5.524 -2.473 271 HB VAL 36 HB VAL 36 -1.488 -4.595 0.134 272 HG11 VAL 36 1HG1 VAL 36 1.276 -5.576 -0.560 273 HG12 VAL 36 2HG1 VAL 36 0.049 -6.462 0.348 274 HG13 VAL 36 3HG1 VAL 36 0.757 -4.993 1.022 275 HG21 VAL 36 3HG2 VAL 36 -0.980 -2.644 -1.222 276 HG22 VAL 36 1HG2 VAL 36 0.643 -3.263 -1.538 277 HG23 VAL 36 2HG2 VAL 36 0.183 -2.791 0.098 278 H ASP 37 HN ASP 37 -0.353 -7.645 -2.446 279 HA ASP 37 HA ASP 37 -2.433 -9.006 -0.860 280 HB2 ASP 37 2HB ASP 37 -1.344 -9.875 -3.557 281 HB3 ASP 37 1HB ASP 37 -2.398 -10.847 -2.538 282 H LEU 38 HN LEU 38 -1.705 -10.707 0.400 283 HA LEU 38 HA LEU 38 1.223 -11.104 0.383 284 HB2 LEU 38 2HB LEU 38 -0.598 -11.069 2.792 285 HB3 LEU 38 1HB LEU 38 1.136 -11.320 2.814 286 HG LEU 38 HG LEU 38 -0.242 -8.768 1.972 287 HD11 LEU 38 1HD1 LEU 38 -0.450 -9.193 4.365 288 HD12 LEU 38 2HD1 LEU 38 0.668 -7.864 4.055 289 HD13 LEU 38 3HD1 LEU 38 1.290 -9.459 4.477 290 HD21 LEU 38 3HD2 LEU 38 2.677 -9.441 2.316 291 HD22 LEU 38 1HD2 LEU 38 2.033 -7.827 2.020 292 HD23 LEU 38 2HD2 LEU 38 1.858 -9.086 0.797 293 H GLU 39 HN GLU 39 1.924 -13.147 0.283 294 HA GLU 39 HA GLU 39 0.058 -15.292 1.065 295 HB2 GLU 39 2HB GLU 39 2.298 -15.548 -0.949 296 HB3 GLU 39 1HB GLU 39 1.195 -16.821 -0.444 297 HG2 GLU 39 2HG GLU 39 -0.667 -15.462 -1.370 298 HG3 GLU 39 1HG GLU 39 0.555 -14.384 -2.035 299 H GLY 40 HN GLY 40 1.243 -17.308 1.655 300 HA2 GLY 40 2HA GLY 40 3.649 -17.913 2.417 301 HA3 GLY 40 1HA GLY 40 3.389 -16.576 3.531 302 HA PRO 41 HA PRO 41 2.040 -20.313 5.892 303 HB2 PRO 41 2HB PRO 41 2.644 -19.051 8.281 304 HB3 PRO 41 1HB PRO 41 3.730 -20.137 7.410 305 HG2 PRO 41 2HG PRO 41 3.667 -17.156 7.455 306 HG3 PRO 41 1HG PRO 41 5.061 -18.252 7.429 307 HD2 PRO 41 2HD PRO 41 4.240 -16.951 5.224 308 HD3 PRO 41 1HD PRO 41 4.910 -18.593 5.145 309 H ARG 42 HN ARG 42 -0.082 -20.410 6.124 310 HA ARG 42 HA ARG 42 -1.772 -18.175 6.173 311 HB2 ARG 42 2HB ARG 42 -3.578 -19.798 6.707 312 HB3 ARG 42 1HB ARG 42 -2.585 -20.274 5.337 313 HG2 ARG 42 2HG ARG 42 -1.369 -21.839 6.724 314 HG3 ARG 42 1HG ARG 42 -2.299 -21.335 8.135 315 HD2 ARG 42 2HD ARG 42 -4.340 -22.160 7.127 316 HD3 ARG 42 1HD ARG 42 -3.471 -22.572 5.649 317 HE ARG 42 HE ARG 42 -2.128 -24.078 7.272 318 HH11 ARG 42 1HH1 ARG 42 -5.585 -23.455 7.428 319 HH12 ARG 42 2HH1 ARG 42 -5.937 -24.990 8.176 320 HH21 ARG 42 1HH2 ARG 42 -2.596 -26.046 8.249 321 HH22 ARG 42 2HH2 ARG 42 -4.234 -26.451 8.668 322 H GLY 43 HN GLY 43 -0.323 -20.038 8.746 323 HA2 GLY 43 2HA GLY 43 -1.952 -19.320 10.892 324 HA3 GLY 43 1HA GLY 43 -0.236 -19.679 11.011 325 H VAL 44 HN VAL 44 0.715 -17.552 9.409 326 HA VAL 44 HA VAL 44 0.713 -15.423 11.305 327 HB VAL 44 HB VAL 44 1.724 -15.407 8.452 328 HG11 VAL 44 1HG1 VAL 44 3.147 -13.549 9.206 329 HG12 VAL 44 2HG1 VAL 44 2.332 -13.576 10.771 330 HG13 VAL 44 3HG1 VAL 44 1.429 -13.162 9.312 331 HG21 VAL 44 3HG2 VAL 44 3.169 -16.021 11.025 332 HG22 VAL 44 1HG2 VAL 44 3.935 -15.830 9.447 333 HG23 VAL 44 2HG2 VAL 44 2.806 -17.159 9.725 334 H LEU 45 HN LEU 45 -0.647 -15.798 8.045 335 HA LEU 45 HA LEU 45 -1.569 -13.134 7.860 336 HB2 LEU 45 2HB LEU 45 -2.184 -15.620 6.293 337 HB3 LEU 45 1HB LEU 45 -2.904 -14.066 5.906 338 HG LEU 45 HG LEU 45 0.072 -14.562 5.994 339 HD11 LEU 45 1HD1 LEU 45 -0.033 -14.511 3.548 340 HD12 LEU 45 2HD1 LEU 45 -1.795 -14.468 3.630 341 HD13 LEU 45 3HD1 LEU 45 -0.918 -15.883 4.216 342 HD21 LEU 45 3HD2 LEU 45 -1.563 -12.272 4.909 343 HD22 LEU 45 1HD2 LEU 45 0.190 -12.429 4.819 344 HD23 LEU 45 2HD2 LEU 45 -0.599 -12.248 6.385 345 H THR 46 HN THR 46 -3.223 -16.140 8.790 346 HA THR 46 HA THR 46 -5.821 -15.021 8.826 347 HB THR 46 HB THR 46 -4.799 -17.354 10.464 348 HG1 THR 46 1HG THR 46 -6.210 -17.794 8.111 349 HG21 THR 46 3HG2 THR 46 -7.587 -16.663 9.520 350 HG22 THR 46 1HG2 THR 46 -6.998 -16.531 11.178 351 HG23 THR 46 2HG2 THR 46 -7.126 -18.114 10.411 352 H VAL 47 HN VAL 47 -3.339 -15.340 11.350 353 HA VAL 47 HA VAL 47 -4.945 -14.189 13.411 354 HB VAL 47 HB VAL 47 -1.934 -14.444 13.204 355 HG11 VAL 47 1HG1 VAL 47 -3.653 -13.769 15.590 356 HG12 VAL 47 2HG1 VAL 47 -2.549 -12.670 14.761 357 HG13 VAL 47 3HG1 VAL 47 -1.915 -14.070 15.627 358 HG21 VAL 47 3HG2 VAL 47 -3.982 -16.117 14.661 359 HG22 VAL 47 1HG2 VAL 47 -2.232 -16.332 14.735 360 HG23 VAL 47 2HG2 VAL 47 -3.089 -16.591 13.214 361 H PHE 48 HN PHE 48 -2.626 -12.950 11.071 362 HA PHE 48 HA PHE 48 -2.537 -10.281 11.956 363 HB2 PHE 48 2HB PHE 48 -1.004 -11.344 10.274 364 HB3 PHE 48 1HB PHE 48 -2.316 -11.282 9.107 365 HD1 PHE 48 1HD PHE 48 -0.077 -9.206 11.184 366 HD2 PHE 48 2HD PHE 48 -2.758 -9.323 7.883 367 HE1 PHE 48 1HE PHE 48 0.637 -6.944 10.532 368 HE2 PHE 48 2HE PHE 48 -2.052 -7.059 7.227 369 HZ PHE 48 HZ PHE 48 -0.353 -5.869 8.551 370 H ARG 49 HN ARG 49 -4.786 -12.036 9.916 371 HA ARG 49 HA ARG 49 -6.285 -9.866 8.956 372 HB2 ARG 49 2HB ARG 49 -6.190 -12.442 8.359 373 HB3 ARG 49 1HB ARG 49 -7.531 -12.524 9.488 374 HG2 ARG 49 2HG ARG 49 -7.613 -10.502 7.327 375 HG3 ARG 49 1HG ARG 49 -7.906 -12.184 6.929 376 HD2 ARG 49 2HD ARG 49 -9.368 -10.877 9.189 377 HD3 ARG 49 1HD ARG 49 -9.912 -10.660 7.527 378 HE ARG 49 HE ARG 49 -9.684 -13.339 7.709 379 HH11 ARG 49 1HH1 ARG 49 -11.244 -10.979 9.787 380 HH12 ARG 49 2HH1 ARG 49 -12.535 -12.047 10.244 381 HH21 ARG 49 1HH2 ARG 49 -11.368 -14.751 8.321 382 HH22 ARG 49 2HH2 ARG 49 -12.603 -14.204 9.417 383 H PHE 50 HN PHE 50 -6.233 -11.495 12.015 384 HA PHE 50 HA PHE 50 -8.838 -10.713 12.877 385 HB2 PHE 50 2HB PHE 50 -6.406 -11.702 14.372 386 HB3 PHE 50 1HB PHE 50 -7.960 -11.401 15.120 387 HD1 PHE 50 2HD PHE 50 -9.608 -12.456 12.737 388 HD2 PHE 50 1HD PHE 50 -6.291 -14.013 14.900 389 HE1 PHE 50 2HE PHE 50 -10.307 -14.742 12.159 390 HE2 PHE 50 1HE PHE 50 -6.984 -16.301 14.326 391 HZ PHE 50 HZ PHE 50 -8.998 -16.668 12.953 392 H ALA 51 HN ALA 51 -5.672 -9.310 12.945 393 HA ALA 51 HA ALA 51 -6.410 -7.311 14.917 394 HB1 ALA 51 1HB ALA 51 -4.079 -6.647 14.858 395 HB2 ALA 51 2HB ALA 51 -3.785 -7.717 13.486 396 HB3 ALA 51 3HB ALA 51 -4.206 -8.396 15.061 397 H ARG 52 HN ARG 52 -6.289 -5.096 14.532 398 HA ARG 52 HA ARG 52 -7.194 -4.194 12.008 399 HB2 ARG 52 2HB ARG 52 -6.484 -2.956 14.621 400 HB3 ARG 52 1HB ARG 52 -6.668 -1.920 13.221 401 HG2 ARG 52 2HG ARG 52 -8.932 -2.581 12.925 402 HG3 ARG 52 1HG ARG 52 -8.766 -3.873 14.114 403 HD2 ARG 52 2HD ARG 52 -8.399 -0.964 14.787 404 HD3 ARG 52 1HD ARG 52 -9.954 -1.791 14.896 405 HE ARG 52 HE ARG 52 -8.265 -3.370 16.341 406 HH11 ARG 52 1HH1 ARG 52 -9.034 0.049 16.418 407 HH12 ARG 52 2HH1 ARG 52 -8.900 0.171 18.148 408 HH21 ARG 52 1HH2 ARG 52 -8.139 -3.236 18.617 409 HH22 ARG 52 2HH2 ARG 52 -8.394 -1.703 19.401 410 HA PRO 53 HA PRO 53 -3.501 -3.373 9.868 411 HB2 PRO 53 2HB PRO 53 -4.485 -0.828 8.854 412 HB3 PRO 53 1HB PRO 53 -4.223 -2.344 7.994 413 HG2 PRO 53 2HG PRO 53 -6.700 -1.362 8.483 414 HG3 PRO 53 1HG PRO 53 -6.352 -3.097 8.389 415 HD2 PRO 53 2HD PRO 53 -6.737 -1.372 10.801 416 HD3 PRO 53 1HD PRO 53 -7.298 -3.030 10.499 417 H SER 54 HN SER 54 -1.661 -2.775 10.733 418 HA SER 54 HA SER 54 -1.348 -0.075 11.801 419 HB2 SER 54 2HB SER 54 0.136 -2.643 12.311 420 HB3 SER 54 1HB SER 54 0.619 -1.090 12.943 421 HG SER 54 HG SER 54 -1.501 -0.989 13.944 422 H TYR 55 HN TYR 55 -1.046 -1.459 9.003 423 HA TYR 55 HA TYR 55 1.779 -0.993 8.503 424 HB2 TYR 55 2HB TYR 55 1.223 -2.083 6.259 425 HB3 TYR 55 1HB TYR 55 1.160 -3.099 7.692 426 HD1 TYR 55 2HD TYR 55 -0.999 -1.156 5.357 427 HD2 TYR 55 1HD TYR 55 -0.771 -4.316 8.191 428 HE1 TYR 55 2HE TYR 55 -3.281 -1.854 4.759 429 HE2 TYR 55 1HE TYR 55 -3.048 -5.022 7.599 430 HH TYR 55 HH TYR 55 -5.057 -4.116 6.601 431 H GLU 56 HN GLU 56 2.521 0.145 6.689 432 HA GLU 56 HA GLU 56 0.687 2.027 5.425 433 HB2 GLU 56 2HB GLU 56 1.517 3.152 7.465 434 HB3 GLU 56 1HB GLU 56 3.167 2.896 6.924 435 HG2 GLU 56 2HG GLU 56 2.782 4.333 5.003 436 HG3 GLU 56 1HG GLU 56 1.104 4.558 5.496 437 H VAL 57 HN VAL 57 1.399 2.741 3.418 438 HA VAL 57 HA VAL 57 3.859 1.475 2.399 439 HB VAL 57 HB VAL 57 1.432 2.341 0.809 440 HG11 VAL 57 1HG1 VAL 57 3.867 0.749 0.018 441 HG12 VAL 57 2HG1 VAL 57 3.492 2.401 -0.477 442 HG13 VAL 57 3HG1 VAL 57 2.472 1.066 -1.013 443 HG21 VAL 57 3HG2 VAL 57 0.947 -0.049 0.554 444 HG22 VAL 57 1HG2 VAL 57 0.873 0.447 2.243 445 HG23 VAL 57 2HG2 VAL 57 2.279 -0.433 1.643 446 H PHE 58 HN PHE 58 5.428 2.805 1.579 447 HA PHE 58 HA PHE 58 4.817 5.561 0.929 448 HB2 PHE 58 2HB PHE 58 6.219 6.557 2.621 449 HB3 PHE 58 1HB PHE 58 5.041 5.525 3.424 450 HD1 PHE 58 1HD PHE 58 5.802 3.171 4.085 451 HD2 PHE 58 2HD PHE 58 8.490 6.298 3.033 452 HE1 PHE 58 1HE PHE 58 7.624 1.987 5.233 453 HE2 PHE 58 2HE PHE 58 10.319 5.118 4.180 454 HZ PHE 58 HZ PHE 58 9.888 2.958 5.282 455 H VAL 59 HN VAL 59 6.614 6.704 0.004 456 HA VAL 59 HA VAL 59 8.989 5.060 -0.594 457 HB VAL 59 HB VAL 59 7.811 7.060 -2.521 458 HG11 VAL 59 1HG1 VAL 59 9.988 5.000 -2.822 459 HG12 VAL 59 2HG1 VAL 59 10.191 6.752 -2.788 460 HG13 VAL 59 3HG1 VAL 59 9.342 5.987 -4.132 461 HG21 VAL 59 3HG2 VAL 59 7.585 4.052 -2.589 462 HG22 VAL 59 1HG2 VAL 59 7.086 5.147 -3.880 463 HG23 VAL 59 2HG2 VAL 59 6.264 5.189 -2.320 464 H ASP 60 HN ASP 60 10.915 6.081 -0.331 465 HA ASP 60 HA ASP 60 10.804 8.755 0.851 466 HB2 ASP 60 2HB ASP 60 12.054 6.977 2.056 467 HB3 ASP 60 1HB ASP 60 13.148 6.844 0.682 468 H LEU 61 HN LEU 61 11.005 10.394 -0.490 469 HA LEU 61 HA LEU 61 12.877 10.125 -2.742 470 HB2 LEU 61 2HB LEU 61 10.163 11.443 -2.717 471 HB3 LEU 61 1HB LEU 61 11.319 11.597 -4.029 472 HG LEU 61 HG LEU 61 10.144 8.971 -3.107 473 HD11 LEU 61 1HD1 LEU 61 8.813 9.058 -5.146 474 HD12 LEU 61 2HD1 LEU 61 9.440 10.672 -5.489 475 HD13 LEU 61 3HD1 LEU 61 8.424 10.402 -4.072 476 HD21 LEU 61 3HD2 LEU 61 12.338 8.750 -4.144 477 HD22 LEU 61 1HD2 LEU 61 11.793 9.707 -5.522 478 HD23 LEU 61 2HD2 LEU 61 11.082 8.125 -5.213 479 H THR 62 HN THR 62 13.649 11.086 -0.313 480 HA THR 62 HA THR 62 13.408 13.874 0.029 481 HB THR 62 HB THR 62 15.555 13.540 1.413 482 HG1 THR 62 1HG THR 62 14.940 10.785 1.272 483 HG21 THR 62 3HG2 THR 62 13.098 11.909 2.053 484 HG22 THR 62 1HG2 THR 62 13.307 13.629 2.383 485 HG23 THR 62 2HG2 THR 62 14.315 12.440 3.213 486 H GLU 63 HN GLU 63 15.422 11.956 -2.023 487 HA GLU 63 HA GLU 63 17.194 14.211 -2.590 488 HB2 GLU 63 2HB GLU 63 17.350 11.322 -3.449 489 HB3 GLU 63 1HB GLU 63 18.525 12.549 -3.853 490 HG2 GLU 63 2HG GLU 63 18.948 12.853 -1.462 491 HG3 GLU 63 1HG GLU 63 17.867 11.511 -1.138 492 H ALA 64 HN ALA 64 14.262 13.409 -3.587 493 HA ALA 64 HA ALA 64 14.679 13.312 -6.439 494 HB1 ALA 64 1HB ALA 64 12.119 13.601 -4.882 495 HB2 ALA 64 2HB ALA 64 12.834 12.080 -5.418 496 HB3 ALA 64 3HB ALA 64 12.257 13.251 -6.606 497 H GLY 65 HN GLY 65 15.223 15.045 -7.513 498 HA2 GLY 65 2HA GLY 65 13.576 17.424 -7.340 499 HA3 GLY 65 1HA GLY 65 15.271 17.652 -6.947 500 H GLU 66 HN GLU 66 13.040 16.632 -9.411 501 HA GLU 66 HA GLU 66 14.476 17.652 -11.596 502 HB2 GLU 66 2HB GLU 66 15.827 15.530 -10.714 503 HB3 GLU 66 1HB GLU 66 14.606 14.659 -11.626 504 HG2 GLU 66 2HG GLU 66 15.740 16.817 -13.174 505 HG3 GLU 66 1HG GLU 66 16.982 15.713 -12.585 506 H GLY 67 HN GLY 67 13.582 15.876 -13.613 507 HA2 GLY 67 2HA GLY 67 10.772 16.337 -13.599 508 HA3 GLY 67 1HA GLY 67 11.664 15.396 -14.787 509 H SER 68 HN SER 68 9.744 14.025 -14.711 510 HA SER 68 HA SER 68 8.960 12.614 -12.405 511 HB2 SER 68 2HB SER 68 7.564 12.792 -14.413 512 HB3 SER 68 1HB SER 68 8.700 11.781 -15.294 513 HG SER 68 HG SER 68 6.643 11.040 -13.787 514 H HIS 69 HN HIS 69 9.592 10.775 -11.519 515 HA HIS 69 HA HIS 69 11.799 9.281 -12.753 516 HB2 HIS 69 2HB HIS 69 11.774 10.606 -10.085 517 HB3 HIS 69 1HB HIS 69 12.562 9.036 -10.213 518 HD1 HIS 69 1HD HIS 69 14.932 9.079 -10.920 519 HD2 HIS 69 2HD HIS 69 12.910 12.537 -12.052 520 HE1 HIS 69 1HE HIS 69 16.674 10.587 -11.924 521 HE2 HIS 69 2HE HIS 69 15.395 12.577 -12.793 522 H THR 70 HN THR 70 11.613 7.159 -12.671 523 HA THR 70 HA THR 70 9.315 6.042 -11.245 524 HB THR 70 HB THR 70 11.046 4.739 -13.357 525 HG1 THR 70 1HG THR 70 9.596 6.740 -13.825 526 HG21 THR 70 3HG2 THR 70 9.169 3.186 -13.580 527 HG22 THR 70 1HG2 THR 70 8.309 4.031 -12.294 528 HG23 THR 70 2HG2 THR 70 9.803 3.169 -11.938 529 H VAL 71 HN VAL 71 9.647 5.075 -9.367 530 HA VAL 71 HA VAL 71 12.214 3.720 -8.865 531 HB VAL 71 HB VAL 71 12.149 4.501 -6.516 532 HG11 VAL 71 1HG1 VAL 71 12.169 6.732 -8.548 533 HG12 VAL 71 2HG1 VAL 71 13.531 5.690 -8.137 534 HG13 VAL 71 3HG1 VAL 71 12.877 6.802 -6.934 535 HG21 VAL 71 3HG2 VAL 71 10.685 6.384 -5.905 536 HG22 VAL 71 1HG2 VAL 71 9.761 4.938 -6.308 537 HG23 VAL 71 2HG2 VAL 71 9.885 6.258 -7.471 538 H ASP 72 HN ASP 72 12.055 2.223 -6.936 539 HA ASP 72 HA ASP 72 9.646 0.642 -7.165 540 HB2 ASP 72 2HB ASP 72 12.130 0.219 -5.484 541 HB3 ASP 72 1HB ASP 72 10.803 -0.927 -5.622 542 H VAL 73 HN VAL 73 8.257 0.121 -5.457 543 HA VAL 73 HA VAL 73 7.952 2.292 -3.535 544 HB VAL 73 HB VAL 73 6.091 0.008 -4.216 545 HG11 VAL 73 1HG1 VAL 73 5.714 0.820 -1.956 546 HG12 VAL 73 2HG1 VAL 73 4.389 1.297 -3.020 547 HG13 VAL 73 3HG1 VAL 73 5.616 2.476 -2.554 548 HG21 VAL 73 3HG2 VAL 73 6.428 1.553 -6.078 549 HG22 VAL 73 1HG2 VAL 73 6.019 2.912 -5.031 550 HG23 VAL 73 2HG2 VAL 73 4.799 1.698 -5.418 551 H GLU 74 HN GLU 74 8.222 2.114 -1.381 552 HA GLU 74 HA GLU 74 9.066 -0.485 -0.339 553 HB2 GLU 74 2HB GLU 74 9.937 2.230 0.170 554 HB3 GLU 74 1HB GLU 74 9.538 1.383 1.662 555 HG2 GLU 74 2HG GLU 74 11.595 0.695 -0.398 556 HG3 GLU 74 1HG GLU 74 11.785 0.904 1.345 557 H HIS 75 HN HIS 75 8.427 -1.094 1.827 558 HA HIS 75 HA HIS 75 5.723 -0.183 2.522 559 HB2 HIS 75 2HB HIS 75 5.028 -2.642 2.582 560 HB3 HIS 75 1HB HIS 75 5.213 -1.919 0.987 561 HD1 HIS 75 1HD HIS 75 7.195 -2.744 -0.473 562 HD2 HIS 75 2HD HIS 75 6.904 -4.653 3.210 563 HE1 HIS 75 1HE HIS 75 8.716 -4.734 -0.625 564 HE2 HIS 75 2HE HIS 75 8.695 -5.732 1.686 565 H ARG 76 HN ARG 76 5.104 -0.605 4.644 566 HA ARG 76 HA ARG 76 6.827 -2.251 6.332 567 HB2 ARG 76 2HB ARG 76 6.220 0.655 6.871 568 HB3 ARG 76 1HB ARG 76 6.705 -0.457 8.142 569 HG2 ARG 76 2HG ARG 76 8.751 -0.931 6.688 570 HG3 ARG 76 1HG ARG 76 8.290 0.524 5.799 571 HD2 ARG 76 2HD ARG 76 8.855 0.361 8.759 572 HD3 ARG 76 1HD ARG 76 9.949 1.001 7.536 573 HE ARG 76 HE ARG 76 7.337 2.271 7.743 574 HH11 ARG 76 1HH1 ARG 76 10.756 2.342 8.479 575 HH12 ARG 76 2HH1 ARG 76 10.763 4.022 8.921 576 HH21 ARG 76 1HH2 ARG 76 7.324 4.479 8.283 577 HH22 ARG 76 2HH2 ARG 76 8.800 5.247 8.815 578 H GLY 77 HN GLY 77 5.809 -2.624 8.495 579 HA2 GLY 77 2HA GLY 77 3.832 -2.609 9.858 580 HA3 GLY 77 1HA GLY 77 2.879 -2.379 8.398 581 H PHE 78 HN PHE 78 3.026 -4.197 6.789 582 HA PHE 78 HA PHE 78 2.606 -6.690 8.153 583 HB2 PHE 78 2HB PHE 78 2.274 -7.535 5.743 584 HB3 PHE 78 1HB PHE 78 1.109 -6.382 6.381 585 HD1 PHE 78 1HD PHE 78 3.945 -6.819 4.071 586 HD2 PHE 78 2HD PHE 78 0.869 -4.218 5.436 587 HE1 PHE 78 1HE PHE 78 4.322 -5.357 2.130 588 HE2 PHE 78 2HE PHE 78 1.241 -2.750 3.499 589 HZ PHE 78 HZ PHE 78 2.968 -3.321 1.845 590 HA PRO 79 HA PRO 79 6.635 -8.277 8.068 591 HB2 PRO 79 2HB PRO 79 5.544 -10.948 7.490 592 HB3 PRO 79 1HB PRO 79 6.405 -10.374 8.920 593 HG2 PRO 79 2HG PRO 79 3.778 -10.899 8.986 594 HG3 PRO 79 1HG PRO 79 4.489 -9.567 9.918 595 HD2 PRO 79 2HD PRO 79 2.985 -9.482 7.328 596 HD3 PRO 79 1HD PRO 79 2.882 -8.390 8.727 597 H GLY 80 HN GLY 80 8.130 -8.148 6.562 598 HA2 GLY 80 2HA GLY 80 7.651 -8.814 3.803 599 HA3 GLY 80 1HA GLY 80 9.187 -8.327 4.511 600 H ASP 81 HN ASP 81 8.218 -10.653 6.474 601 HA ASP 81 HA ASP 81 9.879 -12.719 5.506 602 HB2 ASP 81 2HB ASP 81 9.197 -12.372 7.897 603 HB3 ASP 81 1HB ASP 81 7.593 -12.935 7.464 604 H LEU 82 HN LEU 82 6.610 -11.836 4.964 605 HA LEU 82 HA LEU 82 5.827 -14.409 3.869 606 HB2 LEU 82 2HB LEU 82 4.297 -11.806 3.929 607 HB3 LEU 82 1HB LEU 82 3.640 -13.407 3.647 608 HG LEU 82 HG LEU 82 4.856 -12.469 6.247 609 HD11 LEU 82 1HD1 LEU 82 1.972 -12.865 5.466 610 HD12 LEU 82 2HD1 LEU 82 2.767 -11.321 5.773 611 HD13 LEU 82 3HD1 LEU 82 2.559 -12.480 7.083 612 HD21 LEU 82 3HD2 LEU 82 5.111 -14.857 5.925 613 HD22 LEU 82 1HD2 LEU 82 3.400 -15.008 5.522 614 HD23 LEU 82 2HD2 LEU 82 3.885 -14.535 7.151 615 H ALA 83 HN ALA 83 4.523 -14.169 1.701 616 HA ALA 83 HA ALA 83 6.283 -12.968 -0.253 617 HB1 ALA 83 1HB ALA 83 5.251 -15.145 -0.712 618 HB2 ALA 83 2HB ALA 83 4.775 -13.942 -1.911 619 HB3 ALA 83 3HB ALA 83 3.653 -14.404 -0.630 620 H VAL 84 HN VAL 84 6.187 -10.826 -0.338 621 HA VAL 84 HA VAL 84 3.655 -9.466 0.146 622 HB VAL 84 HB VAL 84 6.452 -8.343 -0.090 623 HG11 VAL 84 1HG1 VAL 84 5.501 -6.291 0.840 624 HG12 VAL 84 2HG1 VAL 84 3.892 -7.013 0.795 625 HG13 VAL 84 3HG1 VAL 84 4.762 -6.700 -0.709 626 HG21 VAL 84 3HG2 VAL 84 4.751 -8.862 2.347 627 HG22 VAL 84 1HG2 VAL 84 6.330 -8.074 2.338 628 HG23 VAL 84 2HG2 VAL 84 6.186 -9.767 1.869 629 H THR 85 HN THR 85 2.429 -9.091 -1.578 630 HA THR 85 HA THR 85 3.787 -8.403 -4.088 631 HB THR 85 HB THR 85 0.875 -8.998 -3.971 632 HG1 THR 85 1HG THR 85 1.618 -10.800 -2.940 633 HG21 THR 85 3HG2 THR 85 1.323 -9.908 -6.206 634 HG22 THR 85 1HG2 THR 85 3.039 -9.543 -6.000 635 HG23 THR 85 2HG2 THR 85 1.858 -8.232 -6.063 636 H VAL 86 HN VAL 86 3.788 -6.415 -4.641 637 HA VAL 86 HA VAL 86 1.540 -4.610 -3.990 638 HB VAL 86 HB VAL 86 3.913 -3.150 -4.645 639 HG11 VAL 86 1HG1 VAL 86 2.369 -3.342 -2.047 640 HG12 VAL 86 2HG1 VAL 86 2.040 -2.239 -3.384 641 HG13 VAL 86 3HG1 VAL 86 3.530 -2.078 -2.454 642 HG21 VAL 86 3HG2 VAL 86 5.297 -3.677 -2.619 643 HG22 VAL 86 1HG2 VAL 86 5.307 -4.905 -3.888 644 HG23 VAL 86 2HG2 VAL 86 4.341 -5.148 -2.426 645 H GLU 87 HN GLU 87 0.550 -4.215 -6.114 646 HA GLU 87 HA GLU 87 2.695 -4.102 -8.117 647 HB2 GLU 87 2HB GLU 87 0.414 -5.782 -7.995 648 HB3 GLU 87 1HB GLU 87 0.299 -4.767 -9.423 649 HG2 GLU 87 2HG GLU 87 2.832 -6.222 -8.806 650 HG3 GLU 87 1HG GLU 87 1.483 -7.055 -9.576 651 HA PRO 88 HA PRO 88 2.533 -1.717 -10.506 652 HB2 PRO 88 2HB PRO 88 3.541 0.708 -9.719 653 HB3 PRO 88 1HB PRO 88 1.872 0.474 -10.222 654 HG2 PRO 88 2HG PRO 88 2.827 1.190 -7.617 655 HG3 PRO 88 1HG PRO 88 1.148 0.879 -8.093 656 HD2 PRO 88 2HD PRO 88 3.136 -0.980 -6.840 657 HD3 PRO 88 1HD PRO 88 1.365 -0.926 -6.652 658 H ARG 89 HN ARG 89 4.640 -2.433 -10.956 659 HA ARG 89 HA ARG 89 6.166 -3.298 -8.689 660 HB2 ARG 89 2HB ARG 89 6.811 -3.277 -11.642 661 HB3 ARG 89 1HB ARG 89 7.952 -3.852 -10.433 662 HG2 ARG 89 2HG ARG 89 6.089 -5.393 -9.664 663 HG3 ARG 89 1HG ARG 89 5.296 -4.998 -11.189 664 HD2 ARG 89 2HD ARG 89 7.312 -5.701 -12.387 665 HD3 ARG 89 1HD ARG 89 8.050 -6.170 -10.861 666 HE ARG 89 HE ARG 89 5.559 -7.474 -11.205 667 HH11 ARG 89 1HH1 ARG 89 8.859 -7.481 -12.369 668 HH12 ARG 89 2HH1 ARG 89 8.860 -9.183 -12.741 669 HH21 ARG 89 1HH2 ARG 89 5.536 -9.693 -11.711 670 HH22 ARG 89 2HH2 ARG 89 6.954 -10.446 -12.384 671 H MET 90 HN MET 90 6.691 -0.904 -11.186 672 HA MET 90 HA MET 90 8.304 0.627 -9.264 673 HB2 MET 90 2HB MET 90 8.705 0.479 -12.269 674 HB3 MET 90 1HB MET 90 9.597 1.522 -11.168 675 HG2 MET 90 2HG MET 90 10.588 -0.375 -10.083 676 HG3 MET 90 1HG MET 90 9.603 -1.484 -11.032 677 HE1 MET 90 3HE MET 90 11.348 1.799 -12.269 678 HE2 MET 90 1HE MET 90 12.896 1.188 -12.852 679 HE3 MET 90 2HE MET 90 12.526 1.149 -11.127 680 H ALA 91 HN ALA 91 7.676 2.728 -9.018 681 HA ALA 91 HA ALA 91 5.376 3.588 -10.659 682 HB1 ALA 91 1HB ALA 91 4.665 2.938 -8.406 683 HB2 ALA 91 2HB ALA 91 4.452 4.665 -8.671 684 HB3 ALA 91 3HB ALA 91 5.808 4.084 -7.709 685 H ARG 92 HN ARG 92 5.260 5.791 -11.174 686 HA ARG 92 HA ARG 92 7.807 7.190 -10.797 687 HB2 ARG 92 2HB ARG 92 7.216 8.524 -12.770 688 HB3 ARG 92 1HB ARG 92 7.289 6.810 -13.129 689 HG2 ARG 92 2HG ARG 92 4.906 6.654 -13.204 690 HG3 ARG 92 1HG ARG 92 4.727 8.312 -12.625 691 HD2 ARG 92 2HD ARG 92 5.798 9.147 -14.651 692 HD3 ARG 92 1HD ARG 92 6.043 7.497 -15.217 693 HE ARG 92 HE ARG 92 3.341 7.716 -14.809 694 HH11 ARG 92 1HH1 ARG 92 5.676 9.533 -16.671 695 HH12 ARG 92 2HH1 ARG 92 4.573 9.896 -17.956 696 HH21 ARG 92 1HH2 ARG 92 1.869 8.192 -16.504 697 HH22 ARG 92 2HH2 ARG 92 2.425 9.100 -17.883 698 H VAL 93 HN VAL 93 7.921 8.918 -9.644 699 HA VAL 93 HA VAL 93 5.475 10.463 -9.090 700 HB VAL 93 HB VAL 93 7.757 9.978 -7.155 701 HG11 VAL 93 1HG1 VAL 93 6.763 12.198 -6.912 702 HG12 VAL 93 2HG1 VAL 93 6.383 11.177 -5.526 703 HG13 VAL 93 3HG1 VAL 93 5.164 11.471 -6.763 704 HG21 VAL 93 3HG2 VAL 93 6.138 8.736 -5.809 705 HG22 VAL 93 1HG2 VAL 93 6.364 7.993 -7.392 706 HG23 VAL 93 2HG2 VAL 93 4.919 8.953 -7.067 707 H GLN 94 HN GLN 94 5.688 12.649 -9.369 708 HA GLN 94 HA GLN 94 8.368 13.552 -10.200 709 HB2 GLN 94 2HB GLN 94 6.914 13.482 -12.113 710 HB3 GLN 94 1HB GLN 94 5.652 14.345 -11.246 711 HG2 GLN 94 2HG GLN 94 6.924 16.358 -11.243 712 HG3 GLN 94 1HG GLN 94 8.334 15.531 -11.900 713 HE21 GLN 94 1HE2 GLN 94 6.899 17.819 -12.931 714 HE22 GLN 94 2HE2 GLN 94 6.350 17.375 -14.505 715 H LEU 95 HN LEU 95 9.249 14.908 -8.844 716 HA LEU 95 HA LEU 95 7.536 16.822 -7.405 717 HB2 LEU 95 2HB LEU 95 10.358 15.910 -6.796 718 HB3 LEU 95 1HB LEU 95 9.470 17.116 -5.885 719 HG LEU 95 HG LEU 95 8.722 14.199 -6.129 720 HD11 LEU 95 1HD1 LEU 95 9.327 14.091 -3.758 721 HD12 LEU 95 2HD1 LEU 95 9.856 15.773 -3.819 722 HD13 LEU 95 3HD1 LEU 95 10.707 14.547 -4.758 723 HD21 LEU 95 3HD2 LEU 95 7.474 16.432 -4.530 724 HD22 LEU 95 1HD2 LEU 95 7.052 14.725 -4.404 725 HD23 LEU 95 2HD2 LEU 95 6.750 15.599 -5.905 726 H GLU 96 HN GLU 96 7.689 18.904 -7.984 727 HA GLU 96 HA GLU 96 9.799 19.595 -9.912 728 HB2 GLU 96 2HB GLU 96 7.784 18.926 -11.117 729 HB3 GLU 96 1HB GLU 96 6.842 20.107 -10.217 730 HG2 GLU 96 2HG GLU 96 7.950 21.915 -11.277 731 HG3 GLU 96 1HG GLU 96 9.150 20.838 -11.993 732 H GLU 97 HN GLU 97 10.435 21.704 -9.992 733 HA GLU 97 HA GLU 97 10.069 23.254 -7.645 734 HB2 GLU 97 2HB GLU 97 11.364 24.981 -9.163 735 HB3 GLU 97 1HB GLU 97 12.175 23.602 -8.451 736 HG2 GLU 97 2HG GLU 97 12.922 23.788 -10.686 737 HG3 GLU 97 1HG GLU 97 11.855 22.395 -10.614 738 H ARG 98 HN ARG 98 7.668 23.247 -7.943 739 HA ARG 98 HA ARG 98 6.845 25.794 -9.069 740 HB2 ARG 98 2HB ARG 98 6.610 23.734 -10.752 741 HB3 ARG 98 1HB ARG 98 5.147 23.454 -9.817 742 HG2 ARG 98 2HG ARG 98 4.669 24.757 -11.804 743 HG3 ARG 98 1HG ARG 98 4.378 25.715 -10.351 744 HD2 ARG 98 2HD ARG 98 5.595 26.889 -12.228 745 HD3 ARG 98 1HD ARG 98 6.373 26.946 -10.646 746 HE ARG 98 HE ARG 98 7.886 25.205 -11.431 747 HH11 ARG 98 1HH1 ARG 98 6.062 26.961 -13.861 748 HH12 ARG 98 2HH1 ARG 98 7.168 26.568 -15.145 749 HH21 ARG 98 1HH2 ARG 98 9.330 24.682 -13.116 750 HH22 ARG 98 2HH2 ARG 98 9.031 25.304 -14.717 751 H GLN 99 HN GLN 99 4.447 26.155 -8.460 752 HA GLN 99 HA GLN 99 3.997 25.056 -5.813 753 HB2 GLN 99 2HB GLN 99 2.496 26.974 -5.587 754 HB3 GLN 99 1HB GLN 99 4.126 27.468 -5.971 755 HG2 GLN 99 2HG GLN 99 3.477 27.840 -8.278 756 HG3 GLN 99 1HG GLN 99 1.846 27.267 -7.931 757 HE21 GLN 99 1HE2 GLN 99 0.468 28.554 -6.688 758 HE22 GLN 99 2HE2 GLN 99 0.763 30.242 -6.451 759 H THR 100 HN THR 100 1.941 24.301 -5.207 760 HA THR 100 HA THR 100 -0.183 23.536 -5.363 761 HB THR 100 HB THR 100 -0.212 24.837 -8.090 762 HG1 THR 100 1HG THR 100 -0.768 25.713 -5.458 763 HG21 THR 100 3HG2 THR 100 -2.498 23.866 -6.366 764 HG22 THR 100 1HG2 THR 100 -1.944 23.108 -7.858 765 HG23 THR 100 2HG2 THR 100 -2.648 24.724 -7.899 766 H VAL 101 HN VAL 101 -0.474 21.455 -5.432 767 HA VAL 101 HA VAL 101 0.710 19.677 -7.271 768 HB VAL 101 HB VAL 101 -1.740 19.234 -5.543 769 HG11 VAL 101 1HG1 VAL 101 -1.229 16.843 -5.781 770 HG12 VAL 101 2HG1 VAL 101 0.058 17.242 -6.921 771 HG13 VAL 101 3HG1 VAL 101 -1.623 17.596 -7.330 772 HG21 VAL 101 3HG2 VAL 101 1.158 18.571 -5.029 773 HG22 VAL 101 1HG2 VAL 101 -0.200 18.166 -3.978 774 HG23 VAL 101 2HG2 VAL 101 0.235 19.854 -4.247 775 H SER 102 HN SER 102 0.317 20.023 -9.369 776 HA SER 102 HA SER 102 -2.486 19.998 -10.245 777 HB2 SER 102 2HB SER 102 -1.425 21.196 -12.336 778 HB3 SER 102 1HB SER 102 -1.836 22.122 -10.891 779 HG SER 102 HG SER 102 0.361 21.940 -10.245 780 H VAL 103 HN VAL 103 -2.732 17.883 -10.686 781 HA VAL 103 HA VAL 103 -0.701 16.552 -12.318 782 HB VAL 103 HB VAL 103 -1.279 15.362 -10.289 783 HG11 VAL 103 1HG1 VAL 103 -3.501 16.229 -9.907 784 HG12 VAL 103 2HG1 VAL 103 -3.524 14.463 -9.904 785 HG13 VAL 103 3HG1 VAL 103 -4.109 15.351 -11.312 786 HG21 VAL 103 3HG2 VAL 103 -1.948 13.188 -11.228 787 HG22 VAL 103 1HG2 VAL 103 -0.713 13.992 -12.197 788 HG23 VAL 103 2HG2 VAL 103 -2.394 13.995 -12.735 789 HA PRO 104 HA PRO 104 -3.550 16.887 -15.747 790 HB2 PRO 104 2HB PRO 104 -1.866 16.043 -17.645 791 HB3 PRO 104 1HB PRO 104 -1.671 17.630 -16.890 792 HG2 PRO 104 2HG PRO 104 -0.186 15.087 -16.372 793 HG3 PRO 104 1HG PRO 104 0.431 16.746 -16.461 794 HD2 PRO 104 2HD PRO 104 -0.127 15.395 -14.114 795 HD3 PRO 104 1HD PRO 104 -0.052 17.159 -14.273 796 H VAL 105 HN VAL 105 -4.294 15.364 -17.478 797 HA VAL 105 HA VAL 105 -4.715 12.727 -16.396 798 HB VAL 105 HB VAL 105 -5.472 13.797 -19.129 799 HG11 VAL 105 1HG1 VAL 105 -7.130 11.969 -19.107 800 HG12 VAL 105 2HG1 VAL 105 -6.443 11.383 -17.594 801 HG13 VAL 105 3HG1 VAL 105 -5.472 11.371 -19.066 802 HG21 VAL 105 3HG2 VAL 105 -6.468 15.133 -17.353 803 HG22 VAL 105 1HG2 VAL 105 -7.081 13.673 -16.581 804 HG23 VAL 105 2HG2 VAL 105 -7.698 14.159 -18.161 805 H THR 106 HN THR 106 -3.040 11.390 -16.415 806 HA THR 106 HA THR 106 -0.932 11.593 -18.315 807 HB THR 106 HB THR 106 -0.075 9.504 -17.210 808 HG1 THR 106 1HG THR 106 -1.285 8.480 -15.794 809 HG21 THR 106 3HG2 THR 106 -0.824 11.811 -15.414 810 HG22 THR 106 1HG2 THR 106 0.610 11.705 -16.433 811 HG23 THR 106 2HG2 THR 106 0.419 10.610 -15.061 812 H VAL 107 HN VAL 107 -0.397 10.284 -19.994 813 HA VAL 107 HA VAL 107 -2.344 8.212 -20.740 814 HB VAL 107 HB VAL 107 -2.784 10.234 -22.071 815 HG11 VAL 107 1HG1 VAL 107 0.034 9.899 -23.086 816 HG12 VAL 107 2HG1 VAL 107 -0.560 11.219 -22.077 817 HG13 VAL 107 3HG1 VAL 107 -1.165 11.024 -23.723 818 HG21 VAL 107 3HG2 VAL 107 -2.751 9.201 -24.265 819 HG22 VAL 107 1HG2 VAL 107 -3.202 8.022 -23.034 820 HG23 VAL 107 2HG2 VAL 107 -1.570 8.013 -23.710 821 H GLU 108 HN GLU 108 -1.473 6.354 -21.584 822 HA GLU 108 HA GLU 108 1.425 6.112 -21.265 823 HB2 GLU 108 2HB GLU 108 -0.178 4.521 -20.137 824 HB3 GLU 108 1HB GLU 108 -0.610 3.923 -21.731 825 HG2 GLU 108 2HG GLU 108 0.967 2.423 -20.768 826 HG3 GLU 108 1HG GLU 108 1.763 3.294 -22.078 827 H MET 109 HN MET 109 -0.929 4.639 -23.467 828 HA MET 109 HA MET 109 -0.965 4.249 -25.691 829 HB2 MET 109 2HB MET 109 0.909 6.609 -25.737 830 HB3 MET 109 1HB MET 109 0.331 5.815 -27.195 831 HG2 MET 109 2HG MET 109 -1.972 6.314 -26.557 832 HG3 MET 109 1HG MET 109 -1.385 7.135 -25.111 833 HE1 MET 109 3HE MET 109 -0.455 8.595 -29.389 834 HE2 MET 109 1HE MET 109 -1.408 7.146 -29.047 835 HE3 MET 109 2HE MET 109 0.310 7.191 -28.644 836 H ILE 110 HN ILE 110 0.010 3.016 -27.256 837 HA ILE 110 HA ILE 110 2.733 2.111 -26.588 838 HB ILE 110 HB ILE 110 1.012 0.371 -26.291 839 HG12 ILE 110 2HG1 ILE 110 3.402 -0.113 -27.129 840 HG13 ILE 110 1HG1 ILE 110 2.208 -1.393 -27.254 841 HG21 ILE 110 1HG2 ILE 110 -0.141 -0.601 -28.222 842 HG22 ILE 110 2HG2 ILE 110 0.502 0.688 -29.239 843 HG23 ILE 110 3HG2 ILE 110 -0.610 1.074 -27.925 844 HD11 ILE 110 3HD1 ILE 110 1.926 -0.893 -29.631 845 HD12 ILE 110 1HD1 ILE 110 3.600 -1.289 -29.233 846 HD13 ILE 110 2HD1 ILE 110 3.132 0.392 -29.497 847 H ASN 111 HN ASN 111 4.272 2.496 -28.023 848 HA ASN 111 HA ASN 111 3.501 3.029 -30.810 849 HB2 ASN 111 2HB ASN 111 3.787 5.194 -29.660 850 HB3 ASN 111 1HB ASN 111 5.415 4.719 -29.183 851 HD21 ASN 111 1HD2 ASN 111 3.348 5.606 -31.843 852 HD22 ASN 111 2HD2 ASN 111 4.626 6.020 -32.944 853 H LEU 112 HN LEU 112 4.708 1.964 -32.227 854 HA LEU 112 HA LEU 112 7.442 1.225 -31.612 855 HB2 LEU 112 2HB LEU 112 5.942 -0.567 -30.657 856 HB3 LEU 112 1HB LEU 112 5.391 -0.892 -32.287 857 HG LEU 112 HG LEU 112 8.311 -1.087 -31.603 858 HD11 LEU 112 1HD1 LEU 112 7.987 -3.456 -31.131 859 HD12 LEU 112 2HD1 LEU 112 6.242 -3.251 -31.267 860 HD13 LEU 112 3HD1 LEU 112 7.123 -2.454 -29.964 861 HD21 LEU 112 3HD2 LEU 112 7.705 -1.140 -33.960 862 HD22 LEU 112 1HD2 LEU 112 6.552 -2.438 -33.649 863 HD23 LEU 112 2HD2 LEU 112 8.278 -2.724 -33.434 864 H GLU 113 HN GLU 113 8.556 1.696 -33.382 865 HA GLU 113 HA GLU 113 7.744 0.740 -35.953 866 HB2 GLU 113 2HB GLU 113 6.394 2.822 -35.819 867 HB3 GLU 113 1HB GLU 113 7.874 3.741 -35.577 868 HG2 GLU 113 2HG GLU 113 8.674 3.013 -37.778 869 HG3 GLU 113 1HG GLU 113 7.172 2.122 -38.020 870 H HIS 114 HN HIS 114 9.682 -0.241 -36.181 871 HA HIS 114 HA HIS 114 12.008 1.557 -36.368 872 HB2 HIS 114 2HB HIS 114 11.852 -1.332 -35.523 873 HB3 HIS 114 1HB HIS 114 13.355 -0.625 -36.110 874 HD1 HIS 114 1HD HIS 114 11.663 -1.271 -33.040 875 HD2 HIS 114 2HD HIS 114 13.932 1.886 -34.522 876 HE1 HIS 114 1HE HIS 114 12.454 0.008 -31.024 877 HE2 HIS 114 2HE HIS 114 13.679 2.009 -31.955 878 H HIS 115 HN HIS 115 11.504 2.112 -38.475 879 HA HIS 115 HA HIS 115 11.551 -0.083 -40.445 880 HB2 HIS 115 2HB HIS 115 9.445 1.293 -40.250 881 HB3 HIS 115 1HB HIS 115 10.371 2.685 -40.798 882 HD1 HIS 115 1HD HIS 115 10.028 3.125 -43.193 883 HD2 HIS 115 2HD HIS 115 9.787 -0.937 -42.332 884 HE1 HIS 115 1HE HIS 115 9.518 1.997 -45.382 885 HE2 HIS 115 2HE HIS 115 9.467 -0.469 -44.858 886 H HIS 116 HN HIS 116 13.893 1.306 -39.265 887 HA HIS 116 HA HIS 116 14.972 3.022 -41.280 888 HB2 HIS 116 2HB HIS 116 16.054 1.653 -38.858 889 HB3 HIS 116 1HB HIS 116 17.195 2.230 -40.065 890 HD1 HIS 116 1HD HIS 116 14.783 3.447 -37.453 891 HD2 HIS 116 2HD HIS 116 17.445 5.001 -40.253 892 HE1 HIS 116 1HE HIS 116 15.056 5.879 -36.863 893 HE2 HIS 116 2HE HIS 116 16.810 6.744 -38.458 894 H HIS 117 HN HIS 117 15.292 2.309 -43.279 895 HA HIS 117 HA HIS 117 16.845 -0.167 -43.597 896 HB2 HIS 117 2HB HIS 117 14.440 -0.540 -44.201 897 HB3 HIS 117 1HB HIS 117 14.605 0.701 -45.440 898 HD1 HIS 117 1HD HIS 117 15.415 -2.855 -44.694 899 HD2 HIS 117 2HD HIS 117 16.165 -0.057 -47.678 900 HE1 HIS 117 1HE HIS 117 16.254 -4.173 -46.667 901 HE2 HIS 117 2HE HIS 117 16.571 -2.473 -48.504 902 H HIS 118 HN HIS 118 18.735 0.309 -44.480 903 HA HIS 118 HA HIS 118 18.993 2.838 -45.942 904 HB2 HIS 118 2HB HIS 118 21.079 1.061 -44.666 905 HB3 HIS 118 1HB HIS 118 21.436 2.539 -45.550 906 HD1 HIS 118 1HD HIS 118 20.456 1.280 -42.244 907 HD2 HIS 118 2HD HIS 118 20.462 4.924 -44.249 908 HE1 HIS 118 1HE HIS 118 20.166 3.036 -40.465 909 HE2 HIS 118 2HE HIS 118 19.942 5.204 -41.732 910 H HIS 119 HN HIS 119 20.736 2.796 -47.683 911 HA HIS 119 HA HIS 119 20.771 0.276 -49.169 912 HB2 HIS 119 2HB HIS 119 18.876 1.673 -50.018 913 HB3 HIS 119 1HB HIS 119 20.037 2.932 -50.425 914 HD1 HIS 119 1HD HIS 119 21.437 2.612 -52.556 915 HD2 HIS 119 2HD HIS 119 18.938 -0.603 -51.676 916 HE1 HIS 119 1HE HIS 119 21.452 1.150 -54.606 917 HE2 HIS 119 2HE HIS 119 19.890 -0.761 -54.078 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -8.167 -27.030 5.587 2 H2 MET 1 H2 MET 1 -9.634 -27.859 5.401 3 H3 MET 1 H3 MET 1 -9.585 -26.174 5.217 4 HA MET 1 HA MET 1 -9.735 -27.268 3.085 5 HB2 MET 1 2HB MET 1 -7.854 -26.143 2.009 6 HB3 MET 1 1HB MET 1 -8.535 -25.124 3.269 7 HG2 MET 1 2HG MET 1 -6.703 -25.968 4.777 8 HG3 MET 1 1HG MET 1 -5.975 -26.691 3.344 9 HE1 MET 1 2HE MET 1 -7.892 -23.266 3.813 10 HE2 MET 1 3HE MET 1 -6.531 -22.170 4.055 11 HE3 MET 1 1HE MET 1 -6.878 -23.425 5.246 12 HA PRO 2 HA PRO 2 -7.473 -31.073 2.730 13 HB2 PRO 2 2HB PRO 2 -8.368 -31.693 0.208 14 HB3 PRO 2 1HB PRO 2 -9.316 -31.906 1.679 15 HG2 PRO 2 2HG PRO 2 -9.723 -30.029 -0.480 16 HG3 PRO 2 1HG PRO 2 -10.766 -30.366 0.907 17 HD2 PRO 2 2HD PRO 2 -8.896 -28.160 0.486 18 HD3 PRO 2 1HD PRO 2 -10.181 -28.325 1.697 19 H THR 3 HN THR 3 -6.014 -28.654 2.052 20 HA THR 3 HA THR 3 -4.032 -29.797 0.281 21 HB THR 3 HB THR 3 -5.108 -27.048 -0.317 22 HG1 THR 3 1HG THR 3 -6.099 -29.480 -1.017 23 HG21 THR 3 3HG2 THR 3 -3.268 -28.877 -1.857 24 HG22 THR 3 1HG2 THR 3 -2.806 -27.391 -1.031 25 HG23 THR 3 2HG2 THR 3 -3.870 -27.323 -2.437 26 H PHE 4 HN PHE 4 -2.020 -28.297 0.325 27 HA PHE 4 HA PHE 4 -1.143 -27.728 2.839 28 HB2 PHE 4 2HB PHE 4 -0.402 -26.270 0.326 29 HB3 PHE 4 1HB PHE 4 0.540 -26.308 1.798 30 HD1 PHE 4 2HD PHE 4 1.650 -28.394 2.508 31 HD2 PHE 4 1HD PHE 4 -0.335 -28.057 -1.241 32 HE1 PHE 4 2HE PHE 4 2.833 -30.396 1.705 33 HE2 PHE 4 1HE PHE 4 0.844 -30.057 -2.049 34 HZ PHE 4 HZ PHE 4 2.429 -31.230 -0.577 35 H ASP 5 HN ASP 5 -1.304 -26.059 4.260 36 HA ASP 5 HA ASP 5 -3.522 -24.302 3.837 37 HB2 ASP 5 2HB ASP 5 -3.287 -23.775 6.178 38 HB3 ASP 5 1HB ASP 5 -3.188 -25.508 5.963 39 H HIS 6 HN HIS 6 -1.329 -23.799 2.178 40 HA HIS 6 HA HIS 6 -0.430 -21.152 3.083 41 HB2 HIS 6 2HB HIS 6 0.538 -22.899 0.806 42 HB3 HIS 6 1HB HIS 6 1.088 -21.249 1.075 43 HD1 HIS 6 1HD HIS 6 2.492 -24.302 1.382 44 HD2 HIS 6 2HD HIS 6 1.801 -21.339 4.225 45 HE1 HIS 6 1HE HIS 6 4.147 -24.728 3.229 46 HE2 HIS 6 2HE HIS 6 3.674 -22.968 4.969 47 H GLY 7 HN GLY 7 -1.857 -19.626 2.559 48 HA2 GLY 7 2HA GLY 7 -3.192 -19.854 -0.063 49 HA3 GLY 7 1HA GLY 7 -4.047 -19.326 1.381 50 H ASN 8 HN ASN 8 -4.429 -17.563 -0.328 51 HA ASN 8 HA ASN 8 -2.316 -15.535 -0.060 52 HB2 ASN 8 2HB ASN 8 -4.330 -15.813 -2.296 53 HB3 ASN 8 1HB ASN 8 -3.114 -14.556 -2.168 54 HD21 ASN 8 1HD2 ASN 8 -0.971 -15.047 -2.571 55 HD22 ASN 8 2HD2 ASN 8 -0.484 -16.511 -3.359 56 H LEU 9 HN LEU 9 -3.000 -13.394 0.184 57 HA LEU 9 HA LEU 9 -5.802 -12.897 0.767 58 HB2 LEU 9 2HB LEU 9 -4.809 -13.645 2.916 59 HB3 LEU 9 1HB LEU 9 -3.627 -12.358 2.795 60 HG LEU 9 HG LEU 9 -5.442 -10.688 2.938 61 HD11 LEU 9 1HD1 LEU 9 -7.694 -11.415 3.581 62 HD12 LEU 9 2HD1 LEU 9 -7.204 -13.096 3.369 63 HD13 LEU 9 3HD1 LEU 9 -7.248 -12.009 1.981 64 HD21 LEU 9 3HD2 LEU 9 -5.418 -12.716 5.171 65 HD22 LEU 9 1HD2 LEU 9 -5.968 -11.046 5.301 66 HD23 LEU 9 2HD2 LEU 9 -4.272 -11.390 4.961 67 H SER 10 HN SER 10 -6.328 -11.027 -0.132 68 HA SER 10 HA SER 10 -4.207 -9.248 -1.014 69 HB2 SER 10 2HB SER 10 -6.265 -8.157 -2.196 70 HB3 SER 10 1HB SER 10 -5.655 -9.705 -2.784 71 HG SER 10 HG SER 10 -8.084 -9.098 -1.753 72 H LEU 11 HN LEU 11 -3.928 -7.201 -0.325 73 HA LEU 11 HA LEU 11 -5.431 -6.361 2.034 74 HB2 LEU 11 2HB LEU 11 -3.052 -5.082 0.674 75 HB3 LEU 11 1HB LEU 11 -3.747 -4.581 2.202 76 HG LEU 11 HG LEU 11 -2.372 -7.219 1.675 77 HD11 LEU 11 1HD1 LEU 11 -0.818 -5.360 1.715 78 HD12 LEU 11 2HD1 LEU 11 -0.650 -6.332 3.176 79 HD13 LEU 11 3HD1 LEU 11 -1.507 -4.791 3.235 80 HD21 LEU 11 3HD2 LEU 11 -3.485 -6.071 4.233 81 HD22 LEU 11 1HD2 LEU 11 -2.549 -7.558 4.087 82 HD23 LEU 11 2HD2 LEU 11 -4.142 -7.442 3.340 83 H GLY 12 HN GLY 12 -5.918 -6.191 -1.144 84 HA2 GLY 12 2HA GLY 12 -7.246 -4.839 -2.459 85 HA3 GLY 12 1HA GLY 12 -7.556 -3.847 -1.039 86 H GLU 13 HN GLU 13 -7.196 -1.860 -1.916 87 HA GLU 13 HA GLU 13 -4.509 -1.391 -2.993 88 HB2 GLU 13 2HB GLU 13 -5.466 0.851 -3.667 89 HB3 GLU 13 1HB GLU 13 -6.121 -0.552 -4.496 90 HG2 GLU 13 2HG GLU 13 -8.049 -0.485 -2.898 91 HG3 GLU 13 1HG GLU 13 -7.415 1.051 -2.306 92 H LEU 14 HN LEU 14 -3.040 -0.400 -1.832 93 HA LEU 14 HA LEU 14 -3.856 0.720 0.758 94 HB2 LEU 14 2HB LEU 14 -1.144 -0.224 -0.173 95 HB3 LEU 14 1HB LEU 14 -1.504 0.412 1.419 96 HG LEU 14 HG LEU 14 -2.560 -2.150 0.232 97 HD11 LEU 14 1HD1 LEU 14 -1.281 -3.188 2.052 98 HD12 LEU 14 2HD1 LEU 14 -0.663 -1.600 2.508 99 HD13 LEU 14 3HD1 LEU 14 -0.247 -2.292 0.939 100 HD21 LEU 14 3HD2 LEU 14 -3.602 -2.513 2.422 101 HD22 LEU 14 1HD2 LEU 14 -4.271 -1.101 1.604 102 HD23 LEU 14 2HD2 LEU 14 -3.112 -0.893 2.918 103 H GLU 15 HN GLU 15 -2.783 2.622 1.532 104 HA GLU 15 HA GLU 15 -2.644 4.639 -0.510 105 HB2 GLU 15 2HB GLU 15 -2.204 4.798 2.477 106 HB3 GLU 15 1HB GLU 15 -2.304 6.182 1.399 107 HG2 GLU 15 2HG GLU 15 -4.582 5.792 0.948 108 HG3 GLU 15 1HG GLU 15 -4.528 4.189 1.683 109 H LEU 16 HN LEU 16 -0.859 5.113 -1.606 110 HA LEU 16 HA LEU 16 1.752 4.491 -0.503 111 HB2 LEU 16 2HB LEU 16 1.489 3.996 -2.818 112 HB3 LEU 16 1HB LEU 16 0.836 5.587 -3.153 113 HG LEU 16 HG LEU 16 2.998 6.613 -2.853 114 HD11 LEU 16 1HD1 LEU 16 4.008 3.869 -2.140 115 HD12 LEU 16 2HD1 LEU 16 3.861 5.243 -1.043 116 HD13 LEU 16 3HD1 LEU 16 5.000 5.303 -2.390 117 HD21 LEU 16 3HD2 LEU 16 3.327 4.123 -4.509 118 HD22 LEU 16 1HD2 LEU 16 4.179 5.654 -4.705 119 HD23 LEU 16 2HD2 LEU 16 2.445 5.560 -5.021 120 H THR 17 HN THR 17 2.579 5.816 0.898 121 HA THR 17 HA THR 17 1.950 8.662 0.815 122 HB THR 17 HB THR 17 3.592 7.168 2.869 123 HG1 THR 17 1HG THR 17 1.095 6.759 2.376 124 HG21 THR 17 3HG2 THR 17 2.126 9.810 2.984 125 HG22 THR 17 1HG2 THR 17 3.877 9.600 2.899 126 HG23 THR 17 2HG2 THR 17 2.989 9.055 4.324 127 H VAL 18 HN VAL 18 3.416 10.196 0.261 128 HA VAL 18 HA VAL 18 6.026 9.224 -0.675 129 HB VAL 18 HB VAL 18 4.554 11.753 -1.443 130 HG11 VAL 18 1HG1 VAL 18 7.068 10.534 -2.581 131 HG12 VAL 18 2HG1 VAL 18 6.974 11.994 -1.597 132 HG13 VAL 18 3HG1 VAL 18 6.241 11.965 -3.200 133 HG21 VAL 18 3HG2 VAL 18 4.195 10.655 -3.612 134 HG22 VAL 18 1HG2 VAL 18 3.407 9.785 -2.296 135 HG23 VAL 18 2HG2 VAL 18 4.916 9.177 -2.976 136 H LEU 19 HN LEU 19 7.762 9.776 0.472 137 HA LEU 19 HA LEU 19 7.634 12.060 2.287 138 HB2 LEU 19 2HB LEU 19 9.870 10.091 1.741 139 HB3 LEU 19 1HB LEU 19 9.891 11.337 2.977 140 HG LEU 19 HG LEU 19 7.990 8.990 2.896 141 HD11 LEU 19 1HD1 LEU 19 10.291 8.329 3.385 142 HD12 LEU 19 2HD1 LEU 19 9.256 8.159 4.801 143 HD13 LEU 19 3HD1 LEU 19 10.363 9.526 4.679 144 HD21 LEU 19 3HD2 LEU 19 7.018 10.980 3.943 145 HD22 LEU 19 1HD2 LEU 19 8.415 11.096 5.015 146 HD23 LEU 19 2HD2 LEU 19 7.330 9.710 5.126 147 H TYR 20 HN TYR 20 8.237 14.021 1.597 148 HA TYR 20 HA TYR 20 9.952 14.187 -0.784 149 HB2 TYR 20 2HB TYR 20 8.383 15.925 -1.707 150 HB3 TYR 20 1HB TYR 20 7.724 14.294 -1.681 151 HD1 TYR 20 2HD TYR 20 7.497 17.654 -0.213 152 HD2 TYR 20 1HD TYR 20 5.899 13.712 -0.202 153 HE1 TYR 20 2HE TYR 20 5.548 18.452 1.054 154 HE2 TYR 20 1HE TYR 20 3.948 14.499 1.065 155 HH TYR 20 HH TYR 20 3.425 16.383 2.627 156 H ASP 21 HN ASP 21 10.139 16.726 -1.267 157 HA ASP 21 HA ASP 21 11.074 17.945 1.228 158 HB2 ASP 21 2HB ASP 21 12.743 17.807 -0.545 159 HB3 ASP 21 1HB ASP 21 11.657 18.626 -1.664 160 H GLU 22 HN GLU 22 9.538 19.129 2.166 161 HA GLU 22 HA GLU 22 7.520 20.427 0.525 162 HB2 GLU 22 2HB GLU 22 6.516 21.053 2.759 163 HB3 GLU 22 1HB GLU 22 6.599 19.336 2.403 164 HG2 GLU 22 2HG GLU 22 8.735 20.674 4.011 165 HG3 GLU 22 1HG GLU 22 7.223 20.163 4.753 166 H GLU 23 HN GLU 23 10.455 21.324 0.930 167 HA GLU 23 HA GLU 23 10.066 24.001 1.941 168 HB2 GLU 23 2HB GLU 23 12.460 22.716 0.621 169 HB3 GLU 23 1HB GLU 23 12.437 24.325 1.309 170 HG2 GLU 23 2HG GLU 23 11.844 23.272 3.508 171 HG3 GLU 23 1HG GLU 23 12.179 21.713 2.754 172 H ARG 24 HN ARG 24 11.121 22.604 -1.200 173 HA ARG 24 HA ARG 24 10.010 25.030 -2.455 174 HB2 ARG 24 2HB ARG 24 12.513 23.505 -3.116 175 HB3 ARG 24 1HB ARG 24 11.769 24.623 -4.240 176 HG2 ARG 24 2HG ARG 24 13.244 26.042 -3.299 177 HG3 ARG 24 1HG ARG 24 11.940 26.233 -2.126 178 HD2 ARG 24 2HD ARG 24 14.167 25.905 -1.088 179 HD3 ARG 24 1HD ARG 24 12.991 24.674 -0.628 180 HE ARG 24 HE ARG 24 14.403 23.121 -1.492 181 HH11 ARG 24 1HH1 ARG 24 15.114 26.181 -3.087 182 HH12 ARG 24 2HH1 ARG 24 16.331 25.491 -4.125 183 HH21 ARG 24 1HH2 ARG 24 16.033 22.246 -2.826 184 HH22 ARG 24 2HH2 ARG 24 16.862 23.267 -3.956 185 H TYR 25 HN TYR 25 10.008 21.571 -2.485 186 HA TYR 25 HA TYR 25 9.277 21.535 -5.311 187 HB2 TYR 25 2HB TYR 25 9.894 19.227 -3.465 188 HB3 TYR 25 1HB TYR 25 9.617 19.115 -5.201 189 HD1 TYR 25 1HD TYR 25 11.182 20.870 -6.581 190 HD2 TYR 25 2HD TYR 25 12.093 19.171 -2.793 191 HE1 TYR 25 1HE TYR 25 13.575 21.277 -6.978 192 HE2 TYR 25 2HE TYR 25 14.485 19.574 -3.179 193 HH TYR 25 HH TYR 25 16.018 19.901 -5.034 194 H ASP 26 HN ASP 26 7.332 21.223 -6.043 195 HA ASP 26 HA ASP 26 5.210 20.328 -4.200 196 HB2 ASP 26 2HB ASP 26 5.089 22.056 -6.672 197 HB3 ASP 26 1HB ASP 26 3.659 21.318 -5.975 198 H ILE 27 HN ILE 27 3.675 18.834 -5.003 199 HA ILE 27 HA ILE 27 4.864 16.949 -6.888 200 HB ILE 27 HB ILE 27 2.439 16.586 -5.122 201 HG12 ILE 27 2HG1 ILE 27 5.291 15.634 -4.741 202 HG13 ILE 27 1HG1 ILE 27 4.517 16.921 -3.827 203 HG21 ILE 27 1HG2 ILE 27 4.062 14.576 -6.678 204 HG22 ILE 27 2HG2 ILE 27 2.439 15.133 -7.086 205 HG23 ILE 27 3HG2 ILE 27 2.707 14.207 -5.609 206 HD11 ILE 27 3HD1 ILE 27 4.599 14.836 -2.571 207 HD12 ILE 27 1HD1 ILE 27 3.670 14.038 -3.839 208 HD13 ILE 27 2HD1 ILE 27 2.936 15.333 -2.893 209 H VAL 28 HN VAL 28 4.302 17.043 -8.948 210 HA VAL 28 HA VAL 28 1.867 18.370 -9.780 211 HB VAL 28 HB VAL 28 3.886 16.858 -11.456 212 HG11 VAL 28 1HG1 VAL 28 1.745 17.058 -12.583 213 HG12 VAL 28 2HG1 VAL 28 2.928 18.131 -13.333 214 HG13 VAL 28 3HG1 VAL 28 1.707 18.791 -12.246 215 HG21 VAL 28 3HG2 VAL 28 3.648 19.819 -10.919 216 HG22 VAL 28 1HG2 VAL 28 4.796 19.052 -12.018 217 HG23 VAL 28 2HG2 VAL 28 4.900 18.748 -10.284 218 H GLU 29 HN GLU 29 3.218 15.094 -9.972 219 HA GLU 29 HA GLU 29 0.573 13.988 -9.602 220 HB2 GLU 29 2HB GLU 29 0.722 12.468 -11.535 221 HB3 GLU 29 1HB GLU 29 0.665 14.151 -12.037 222 HG2 GLU 29 2HG GLU 29 3.107 14.115 -12.339 223 HG3 GLU 29 1HG GLU 29 3.112 12.405 -11.908 224 H GLN 30 HN GLN 30 0.643 11.746 -9.000 225 HA GLN 30 HA GLN 30 3.238 10.585 -8.382 226 HB2 GLN 30 2HB GLN 30 2.800 10.402 -5.985 227 HB3 GLN 30 1HB GLN 30 2.813 12.092 -6.468 228 HG2 GLN 30 2HG GLN 30 0.391 12.144 -6.446 229 HG3 GLN 30 1HG GLN 30 0.339 10.431 -6.039 230 HE21 GLN 30 1HE2 GLN 30 0.936 13.643 -4.873 231 HE22 GLN 30 2HE2 GLN 30 1.005 13.235 -3.196 232 H THR 31 HN THR 31 2.716 8.481 -6.952 233 HA THR 31 HA THR 31 0.446 7.165 -8.257 234 HB THR 31 HB THR 31 2.715 5.926 -6.686 235 HG1 THR 31 1HG THR 31 2.732 6.952 -9.110 236 HG21 THR 31 3HG2 THR 31 1.964 3.823 -7.707 237 HG22 THR 31 1HG2 THR 31 0.620 4.673 -8.466 238 HG23 THR 31 2HG2 THR 31 0.696 4.538 -6.709 239 H GLU 32 HN GLU 32 -1.350 6.723 -7.105 240 HA GLU 32 HA GLU 32 -1.417 7.845 -4.420 241 HB2 GLU 32 2HB GLU 32 -3.680 6.824 -6.145 242 HB3 GLU 32 1HB GLU 32 -3.845 7.744 -4.658 243 HG2 GLU 32 2HG GLU 32 -2.728 9.650 -5.730 244 HG3 GLU 32 1HG GLU 32 -2.626 8.725 -7.228 245 H THR 33 HN THR 33 -2.348 4.825 -6.024 246 HA THR 33 HA THR 33 -2.376 3.511 -3.399 247 HB THR 33 HB THR 33 -4.349 2.158 -4.388 248 HG1 THR 33 1HG THR 33 -5.478 3.124 -6.018 249 HG21 THR 33 3HG2 THR 33 -4.572 3.659 -2.472 250 HG22 THR 33 1HG2 THR 33 -5.979 3.780 -3.527 251 HG23 THR 33 2HG2 THR 33 -4.743 5.037 -3.558 252 H VAL 34 HN VAL 34 -1.848 1.324 -3.386 253 HA VAL 34 HA VAL 34 -0.995 0.159 -5.964 254 HB VAL 34 HB VAL 34 0.260 -0.485 -3.296 255 HG11 VAL 34 1HG1 VAL 34 1.080 -1.162 -6.096 256 HG12 VAL 34 2HG1 VAL 34 0.365 -2.260 -4.913 257 HG13 VAL 34 3HG1 VAL 34 1.967 -1.576 -4.629 258 HG21 VAL 34 3HG2 VAL 34 0.789 1.831 -3.859 259 HG22 VAL 34 1HG2 VAL 34 1.334 1.322 -5.458 260 HG23 VAL 34 2HG2 VAL 34 2.213 0.805 -4.020 261 H GLN 35 HN GLN 35 -1.514 -2.009 -6.278 262 HA GLN 35 HA GLN 35 -3.380 -3.162 -4.358 263 HB2 GLN 35 2HB GLN 35 -3.860 -3.158 -6.838 264 HB3 GLN 35 1HB GLN 35 -2.531 -4.294 -7.026 265 HG2 GLN 35 2HG GLN 35 -3.653 -5.948 -5.747 266 HG3 GLN 35 1HG GLN 35 -4.893 -4.801 -5.241 267 HE21 GLN 35 1HE2 GLN 35 -5.173 -7.362 -6.593 268 HE22 GLN 35 2HE2 GLN 35 -6.016 -7.030 -8.077 269 H VAL 36 HN VAL 36 -2.774 -4.635 -2.935 270 HA VAL 36 HA VAL 36 -0.115 -5.876 -3.237 271 HB VAL 36 HB VAL 36 -1.292 -4.866 -0.640 272 HG11 VAL 36 1HG1 VAL 36 0.951 -5.264 0.256 273 HG12 VAL 36 2HG1 VAL 36 1.457 -5.915 -1.301 274 HG13 VAL 36 3HG1 VAL 36 0.222 -6.747 -0.356 275 HG21 VAL 36 3HG2 VAL 36 0.859 -3.634 -2.361 276 HG22 VAL 36 1HG2 VAL 36 0.405 -3.093 -0.745 277 HG23 VAL 36 2HG2 VAL 36 -0.753 -2.979 -2.069 278 H ASP 37 HN ASP 37 -0.032 -7.996 -2.914 279 HA ASP 37 HA ASP 37 -2.285 -9.346 -1.577 280 HB2 ASP 37 2HB ASP 37 -2.565 -9.482 -4.035 281 HB3 ASP 37 1HB ASP 37 -0.970 -10.213 -4.161 282 H LEU 38 HN LEU 38 -1.652 -10.891 -0.138 283 HA LEU 38 HA LEU 38 1.226 -11.527 -0.101 284 HB2 LEU 38 2HB LEU 38 -0.721 -11.123 2.154 285 HB3 LEU 38 1HB LEU 38 0.787 -11.983 2.386 286 HG LEU 38 HG LEU 38 1.953 -9.884 1.532 287 HD11 LEU 38 1HD1 LEU 38 0.724 -7.797 1.737 288 HD12 LEU 38 2HD1 LEU 38 -0.757 -8.691 2.078 289 HD13 LEU 38 3HD1 LEU 38 0.012 -8.829 0.496 290 HD21 LEU 38 3HD2 LEU 38 1.799 -8.781 3.715 291 HD22 LEU 38 1HD2 LEU 38 1.943 -10.531 3.876 292 HD23 LEU 38 2HD2 LEU 38 0.377 -9.751 4.099 293 H GLU 39 HN GLU 39 1.876 -13.594 0.520 294 HA GLU 39 HA GLU 39 -0.202 -15.672 0.509 295 HB2 GLU 39 2HB GLU 39 0.899 -15.539 -1.710 296 HB3 GLU 39 1HB GLU 39 2.453 -15.802 -0.936 297 HG2 GLU 39 2HG GLU 39 1.792 -18.014 -0.255 298 HG3 GLU 39 1HG GLU 39 0.166 -17.758 -0.888 299 H GLY 40 HN GLY 40 0.110 -17.321 1.961 300 HA2 GLY 40 2HA GLY 40 2.501 -18.209 3.032 301 HA3 GLY 40 1HA GLY 40 1.973 -16.896 4.074 302 HA PRO 41 HA PRO 41 -0.011 -20.883 5.494 303 HB2 PRO 41 2HB PRO 41 0.948 -20.032 8.130 304 HB3 PRO 41 1HB PRO 41 1.190 -21.567 7.294 305 HG2 PRO 41 2HG PRO 41 3.190 -19.793 7.666 306 HG3 PRO 41 1HG PRO 41 3.103 -20.848 6.244 307 HD2 PRO 41 2HD PRO 41 2.389 -17.952 6.503 308 HD3 PRO 41 1HD PRO 41 3.210 -18.795 5.171 309 H ARG 42 HN ARG 42 -2.068 -20.862 6.090 310 HA ARG 42 HA ARG 42 -3.523 -18.554 6.583 311 HB2 ARG 42 2HB ARG 42 -5.302 -20.168 7.495 312 HB3 ARG 42 1HB ARG 42 -4.776 -20.373 5.831 313 HG2 ARG 42 2HG ARG 42 -4.874 -22.531 6.669 314 HG3 ARG 42 1HG ARG 42 -3.161 -22.126 6.739 315 HD2 ARG 42 2HD ARG 42 -3.822 -21.339 9.176 316 HD3 ARG 42 1HD ARG 42 -5.126 -22.502 8.934 317 HE ARG 42 HE ARG 42 -2.407 -23.414 8.380 318 HH11 ARG 42 1HH1 ARG 42 -5.196 -23.390 10.510 319 HH12 ARG 42 2HH1 ARG 42 -4.610 -24.698 11.499 320 HH21 ARG 42 1HH2 ARG 42 -1.628 -25.131 9.695 321 HH22 ARG 42 2HH2 ARG 42 -2.587 -25.686 11.031 322 H GLY 43 HN GLY 43 -1.821 -20.598 8.844 323 HA2 GLY 43 2HA GLY 43 -2.989 -19.741 11.245 324 HA3 GLY 43 1HA GLY 43 -1.339 -20.321 11.070 325 H VAL 44 HN VAL 44 -0.254 -18.398 9.430 326 HA VAL 44 HA VAL 44 0.217 -16.253 11.238 327 HB VAL 44 HB VAL 44 0.931 -16.392 8.301 328 HG11 VAL 44 1HG1 VAL 44 1.104 -14.150 9.251 329 HG12 VAL 44 2HG1 VAL 44 2.697 -14.805 8.879 330 HG13 VAL 44 3HG1 VAL 44 2.127 -14.767 10.549 331 HG21 VAL 44 3HG2 VAL 44 3.125 -17.216 9.059 332 HG22 VAL 44 1HG2 VAL 44 1.816 -18.336 9.444 333 HG23 VAL 44 2HG2 VAL 44 2.501 -17.314 10.708 334 H LEU 45 HN LEU 45 -1.628 -16.619 8.252 335 HA LEU 45 HA LEU 45 -2.399 -13.953 7.889 336 HB2 LEU 45 2HB LEU 45 -3.889 -16.474 7.152 337 HB3 LEU 45 1HB LEU 45 -4.237 -14.876 6.524 338 HG LEU 45 HG LEU 45 -1.668 -16.400 6.088 339 HD11 LEU 45 1HD1 LEU 45 -2.442 -16.587 3.774 340 HD12 LEU 45 2HD1 LEU 45 -3.966 -15.821 4.226 341 HD13 LEU 45 3HD1 LEU 45 -3.537 -17.395 4.896 342 HD21 LEU 45 3HD2 LEU 45 -1.285 -14.006 6.103 343 HD22 LEU 45 1HD2 LEU 45 -2.625 -13.762 4.982 344 HD23 LEU 45 2HD2 LEU 45 -1.180 -14.626 4.457 345 H THR 46 HN THR 46 -3.734 -16.494 9.918 346 HA THR 46 HA THR 46 -6.130 -15.149 10.618 347 HB THR 46 HB THR 46 -4.618 -17.213 12.236 348 HG1 THR 46 1HG THR 46 -5.222 -17.835 10.032 349 HG21 THR 46 3HG2 THR 46 -7.518 -16.369 12.276 350 HG22 THR 46 1HG2 THR 46 -6.328 -16.072 13.543 351 HG23 THR 46 2HG2 THR 46 -6.838 -17.721 13.180 352 H VAL 47 HN VAL 47 -2.934 -15.327 12.193 353 HA VAL 47 HA VAL 47 -3.545 -13.639 14.362 354 HB VAL 47 HB VAL 47 -0.877 -14.002 12.986 355 HG11 VAL 47 1HG1 VAL 47 -1.500 -13.038 15.776 356 HG12 VAL 47 2HG1 VAL 47 -0.950 -12.029 14.438 357 HG13 VAL 47 3HG1 VAL 47 0.106 -13.281 15.091 358 HG21 VAL 47 3HG2 VAL 47 -1.771 -16.132 13.696 359 HG22 VAL 47 1HG2 VAL 47 -2.119 -15.485 15.299 360 HG23 VAL 47 2HG2 VAL 47 -0.447 -15.661 14.764 361 H PHE 48 HN PHE 48 -2.419 -13.014 11.097 362 HA PHE 48 HA PHE 48 -2.056 -10.226 11.317 363 HB2 PHE 48 2HB PHE 48 -1.148 -11.589 9.479 364 HB3 PHE 48 1HB PHE 48 -2.781 -11.921 8.912 365 HD1 PHE 48 1HD PHE 48 -0.368 -9.158 9.497 366 HD2 PHE 48 2HD PHE 48 -3.796 -10.518 7.375 367 HE1 PHE 48 1HE PHE 48 -0.260 -7.169 8.055 368 HE2 PHE 48 2HE PHE 48 -3.692 -8.532 5.931 369 HZ PHE 48 HZ PHE 48 -1.922 -6.855 6.267 370 H ARG 49 HN ARG 49 -4.865 -12.230 10.668 371 HA ARG 49 HA ARG 49 -6.608 -10.101 9.953 372 HB2 ARG 49 2HB ARG 49 -6.774 -13.000 10.438 373 HB3 ARG 49 1HB ARG 49 -8.247 -12.109 10.745 374 HG2 ARG 49 2HG ARG 49 -6.704 -11.996 8.168 375 HG3 ARG 49 1HG ARG 49 -8.078 -13.063 8.460 376 HD2 ARG 49 2HD ARG 49 -8.982 -11.216 7.333 377 HD3 ARG 49 1HD ARG 49 -9.385 -10.950 9.027 378 HE ARG 49 HE ARG 49 -6.968 -9.674 8.007 379 HH11 ARG 49 1HH1 ARG 49 -10.326 -9.363 8.945 380 HH12 ARG 49 2HH1 ARG 49 -10.273 -7.631 9.049 381 HH21 ARG 49 1HH2 ARG 49 -6.906 -7.393 8.095 382 HH22 ARG 49 2HH2 ARG 49 -8.338 -6.504 8.521 383 H PHE 50 HN PHE 50 -5.611 -11.561 12.962 384 HA PHE 50 HA PHE 50 -7.721 -10.554 14.569 385 HB2 PHE 50 2HB PHE 50 -4.995 -11.657 15.109 386 HB3 PHE 50 1HB PHE 50 -5.850 -10.830 16.397 387 HD1 PHE 50 1HD PHE 50 -8.461 -11.633 16.490 388 HD2 PHE 50 2HD PHE 50 -5.148 -13.937 15.147 389 HE1 PHE 50 1HE PHE 50 -9.695 -13.698 17.004 390 HE2 PHE 50 2HE PHE 50 -6.377 -16.007 15.654 391 HZ PHE 50 HZ PHE 50 -8.653 -15.889 16.588 392 H ALA 51 HN ALA 51 -4.883 -9.147 13.226 393 HA ALA 51 HA ALA 51 -5.004 -6.852 15.017 394 HB1 ALA 51 1HB ALA 51 -2.945 -6.138 13.916 395 HB2 ALA 51 2HB ALA 51 -3.059 -7.505 12.808 396 HB3 ALA 51 3HB ALA 51 -2.802 -7.785 14.532 397 H ARG 52 HN ARG 52 -5.313 -4.749 14.232 398 HA ARG 52 HA ARG 52 -6.976 -4.510 11.906 399 HB2 ARG 52 2HB ARG 52 -5.902 -2.455 13.833 400 HB3 ARG 52 1HB ARG 52 -7.092 -2.149 12.595 401 HG2 ARG 52 2HG ARG 52 -8.596 -3.778 13.699 402 HG3 ARG 52 1HG ARG 52 -7.412 -3.913 15.002 403 HD2 ARG 52 2HD ARG 52 -8.876 -1.416 14.148 404 HD3 ARG 52 1HD ARG 52 -9.162 -2.349 15.616 405 HE ARG 52 HE ARG 52 -6.559 -1.692 15.850 406 HH11 ARG 52 1HH1 ARG 52 -9.382 0.247 15.074 407 HH12 ARG 52 2HH1 ARG 52 -8.756 1.681 15.840 408 HH21 ARG 52 1HH2 ARG 52 -5.748 0.195 16.856 409 HH22 ARG 52 2HH2 ARG 52 -6.701 1.654 16.855 410 HA PRO 53 HA PRO 53 -3.991 -3.159 8.891 411 HB2 PRO 53 2HB PRO 53 -5.383 -0.547 8.747 412 HB3 PRO 53 1HB PRO 53 -4.967 -1.669 7.452 413 HG2 PRO 53 2HG PRO 53 -7.487 -1.449 8.344 414 HG3 PRO 53 1HG PRO 53 -6.815 -3.002 7.814 415 HD2 PRO 53 2HD PRO 53 -7.372 -2.017 10.564 416 HD3 PRO 53 1HD PRO 53 -7.412 -3.672 9.923 417 H SER 54 HN SER 54 -2.040 -2.539 9.320 418 HA SER 54 HA SER 54 -1.496 -0.109 10.847 419 HB2 SER 54 2HB SER 54 -1.563 -2.185 12.328 420 HB3 SER 54 1HB SER 54 -0.140 -2.732 11.459 421 HG SER 54 HG SER 54 -0.380 -0.328 12.958 422 H TYR 55 HN TYR 55 -1.321 -1.254 8.085 423 HA TYR 55 HA TYR 55 1.578 -1.101 7.658 424 HB2 TYR 55 2HB TYR 55 0.940 -2.418 5.496 425 HB3 TYR 55 1HB TYR 55 1.069 -3.269 7.029 426 HD1 TYR 55 2HD TYR 55 -1.310 -1.899 4.555 427 HD2 TYR 55 1HD TYR 55 -0.823 -4.322 8.017 428 HE1 TYR 55 2HE TYR 55 -3.602 -2.743 4.282 429 HE2 TYR 55 1HE TYR 55 -3.112 -5.171 7.752 430 HH TYR 55 HH TYR 55 -4.955 -4.649 4.926 431 H GLU 56 HN GLU 56 2.376 0.302 6.226 432 HA GLU 56 HA GLU 56 0.526 1.737 4.457 433 HB2 GLU 56 2HB GLU 56 2.587 3.065 6.234 434 HB3 GLU 56 1HB GLU 56 1.563 3.884 5.061 435 HG2 GLU 56 2HG GLU 56 -0.411 3.289 6.348 436 HG3 GLU 56 1HG GLU 56 0.587 2.410 7.500 437 H VAL 57 HN VAL 57 1.496 2.563 2.585 438 HA VAL 57 HA VAL 57 4.111 1.375 1.947 439 HB VAL 57 HB VAL 57 2.034 2.507 0.057 440 HG11 VAL 57 1HG1 VAL 57 3.260 1.258 -1.659 441 HG12 VAL 57 2HG1 VAL 57 4.440 0.765 -0.446 442 HG13 VAL 57 3HG1 VAL 57 4.279 2.469 -0.875 443 HG21 VAL 57 3HG2 VAL 57 1.089 0.599 1.228 444 HG22 VAL 57 1HG2 VAL 57 2.524 -0.360 0.858 445 HG23 VAL 57 2HG2 VAL 57 1.456 0.163 -0.444 446 H PHE 58 HN PHE 58 5.796 2.708 1.102 447 HA PHE 58 HA PHE 58 5.289 5.555 0.877 448 HB2 PHE 58 2HB PHE 58 6.993 6.170 2.566 449 HB3 PHE 58 1HB PHE 58 5.593 5.368 3.265 450 HD1 PHE 58 1HD PHE 58 5.777 3.016 4.042 451 HD2 PHE 58 2HD PHE 58 9.170 5.227 2.725 452 HE1 PHE 58 1HE PHE 58 7.262 1.392 5.144 453 HE2 PHE 58 2HE PHE 58 10.658 3.604 3.823 454 HZ PHE 58 HZ PHE 58 9.702 1.686 5.034 455 H VAL 59 HN VAL 59 6.971 6.748 -0.062 456 HA VAL 59 HA VAL 59 9.289 5.221 -1.039 457 HB VAL 59 HB VAL 59 9.198 6.545 -3.162 458 HG11 VAL 59 1HG1 VAL 59 8.460 4.238 -3.123 459 HG12 VAL 59 2HG1 VAL 59 7.441 5.182 -4.211 460 HG13 VAL 59 3HG1 VAL 59 6.847 4.739 -2.610 461 HG21 VAL 59 3HG2 VAL 59 7.063 7.566 -3.817 462 HG22 VAL 59 1HG2 VAL 59 7.776 8.371 -2.418 463 HG23 VAL 59 2HG2 VAL 59 6.427 7.256 -2.202 464 H ASP 60 HN ASP 60 11.225 6.404 -1.226 465 HA ASP 60 HA ASP 60 11.226 8.866 0.360 466 HB2 ASP 60 2HB ASP 60 13.424 6.947 -0.405 467 HB3 ASP 60 1HB ASP 60 13.751 8.503 0.349 468 H LEU 61 HN LEU 61 10.985 10.647 -0.788 469 HA LEU 61 HA LEU 61 12.639 10.985 -3.196 470 HB2 LEU 61 2HB LEU 61 9.744 11.754 -2.827 471 HB3 LEU 61 1HB LEU 61 10.743 12.324 -4.151 472 HG LEU 61 HG LEU 61 10.224 9.403 -3.629 473 HD11 LEU 61 1HD1 LEU 61 8.789 11.252 -5.524 474 HD12 LEU 61 2HD1 LEU 61 8.108 10.527 -4.068 475 HD13 LEU 61 3HD1 LEU 61 8.584 9.504 -5.422 476 HD21 LEU 61 3HD2 LEU 61 12.212 9.903 -4.944 477 HD22 LEU 61 1HD2 LEU 61 11.247 10.893 -6.041 478 HD23 LEU 61 2HD2 LEU 61 10.963 9.155 -5.941 479 H THR 62 HN THR 62 13.027 11.814 -0.409 480 HA THR 62 HA THR 62 12.430 14.602 -0.214 481 HB THR 62 HB THR 62 14.061 14.487 1.738 482 HG1 THR 62 1HG THR 62 14.738 12.435 2.357 483 HG21 THR 62 3HG2 THR 62 12.498 13.226 3.146 484 HG22 THR 62 1HG2 THR 62 11.733 12.565 1.702 485 HG23 THR 62 2HG2 THR 62 11.642 14.294 2.035 486 H GLU 63 HN GLU 63 15.040 12.717 -1.517 487 HA GLU 63 HA GLU 63 16.762 15.066 -1.770 488 HB2 GLU 63 2HB GLU 63 17.199 12.180 -2.521 489 HB3 GLU 63 1HB GLU 63 18.370 13.448 -2.778 490 HG2 GLU 63 2HG GLU 63 18.377 13.835 -0.350 491 HG3 GLU 63 1HG GLU 63 17.335 12.436 -0.172 492 H ALA 64 HN ALA 64 14.237 13.719 -3.403 493 HA ALA 64 HA ALA 64 15.202 13.962 -6.087 494 HB1 ALA 64 1HB ALA 64 12.887 13.580 -6.750 495 HB2 ALA 64 2HB ALA 64 12.365 13.778 -5.078 496 HB3 ALA 64 3HB ALA 64 13.389 12.414 -5.525 497 H GLY 65 HN GLY 65 15.404 15.744 -7.238 498 HA2 GLY 65 2HA GLY 65 13.686 18.042 -6.690 499 HA3 GLY 65 1HA GLY 65 15.408 18.265 -6.458 500 H GLU 66 HN GLU 66 13.177 16.963 -8.820 501 HA GLU 66 HA GLU 66 13.957 18.635 -10.931 502 HB2 GLU 66 2HB GLU 66 16.011 17.078 -10.609 503 HB3 GLU 66 1HB GLU 66 14.991 15.816 -11.281 504 HG2 GLU 66 2HG GLU 66 15.010 16.724 -13.381 505 HG3 GLU 66 1HG GLU 66 15.293 18.362 -12.792 506 H GLY 67 HN GLY 67 13.325 16.959 -13.101 507 HA2 GLY 67 2HA GLY 67 10.529 16.747 -12.867 508 HA3 GLY 67 1HA GLY 67 11.500 16.142 -14.200 509 H SER 68 HN SER 68 9.860 14.443 -14.155 510 HA SER 68 HA SER 68 9.229 12.824 -12.031 511 HB2 SER 68 2HB SER 68 8.076 12.798 -14.213 512 HB3 SER 68 1HB SER 68 9.438 11.929 -14.905 513 HG SER 68 HG SER 68 7.368 11.012 -13.402 514 H HIS 69 HN HIS 69 10.033 11.165 -11.047 515 HA HIS 69 HA HIS 69 12.592 10.037 -11.956 516 HB2 HIS 69 2HB HIS 69 12.757 11.813 -10.077 517 HB3 HIS 69 1HB HIS 69 12.030 10.586 -9.048 518 HD1 HIS 69 1HD HIS 69 15.231 11.719 -10.355 519 HD2 HIS 69 2HD HIS 69 13.677 8.168 -8.849 520 HE1 HIS 69 1HE HIS 69 17.227 10.304 -9.755 521 HE2 HIS 69 2HE HIS 69 16.265 8.194 -8.757 522 H THR 70 HN THR 70 12.778 7.853 -11.694 523 HA THR 70 HA THR 70 10.377 6.498 -10.681 524 HB THR 70 HB THR 70 12.567 5.308 -12.387 525 HG1 THR 70 1HG THR 70 10.997 7.235 -13.102 526 HG21 THR 70 3HG2 THR 70 11.126 3.691 -11.258 527 HG22 THR 70 1HG2 THR 70 10.804 3.700 -12.993 528 HG23 THR 70 2HG2 THR 70 9.697 4.512 -11.886 529 H VAL 71 HN VAL 71 10.506 5.622 -8.723 530 HA VAL 71 HA VAL 71 13.142 4.737 -7.736 531 HB VAL 71 HB VAL 71 12.405 5.404 -5.447 532 HG11 VAL 71 1HG1 VAL 71 12.841 7.793 -5.738 533 HG12 VAL 71 2HG1 VAL 71 12.565 7.629 -7.470 534 HG13 VAL 71 3HG1 VAL 71 13.929 6.807 -6.712 535 HG21 VAL 71 3HG2 VAL 71 10.568 7.013 -5.223 536 HG22 VAL 71 1HG2 VAL 71 10.003 5.454 -5.821 537 HG23 VAL 71 2HG2 VAL 71 10.188 6.809 -6.934 538 H ASP 72 HN ASP 72 12.938 3.264 -5.814 539 HA ASP 72 HA ASP 72 11.121 1.109 -6.448 540 HB2 ASP 72 2HB ASP 72 13.425 0.599 -5.805 541 HB3 ASP 72 1HB ASP 72 13.198 1.411 -4.262 542 H VAL 73 HN VAL 73 9.506 0.287 -5.079 543 HA VAL 73 HA VAL 73 8.335 2.340 -3.348 544 HB VAL 73 HB VAL 73 7.063 -0.184 -4.409 545 HG11 VAL 73 1HG1 VAL 73 5.972 0.718 -2.433 546 HG12 VAL 73 2HG1 VAL 73 4.956 0.920 -3.861 547 HG13 VAL 73 3HG1 VAL 73 5.847 2.297 -3.210 548 HG21 VAL 73 3HG2 VAL 73 5.966 1.269 -6.070 549 HG22 VAL 73 1HG2 VAL 73 7.717 1.211 -6.273 550 HG23 VAL 73 2HG2 VAL 73 6.963 2.616 -5.520 551 H GLU 74 HN GLU 74 8.650 2.145 -1.214 552 HA GLU 74 HA GLU 74 9.354 -0.474 -0.128 553 HB2 GLU 74 2HB GLU 74 10.322 2.080 0.380 554 HB3 GLU 74 1HB GLU 74 9.321 1.727 1.783 555 HG2 GLU 74 2HG GLU 74 11.551 -0.014 0.751 556 HG3 GLU 74 1HG GLU 74 11.669 1.096 2.114 557 H HIS 75 HN HIS 75 8.358 -1.269 1.771 558 HA HIS 75 HA HIS 75 5.665 -0.286 2.351 559 HB2 HIS 75 2HB HIS 75 4.968 -2.823 2.170 560 HB3 HIS 75 1HB HIS 75 4.975 -1.808 0.734 561 HD1 HIS 75 1HD HIS 75 7.025 -4.518 2.423 562 HD2 HIS 75 2HD HIS 75 6.704 -2.576 -1.245 563 HE1 HIS 75 1HE HIS 75 8.496 -5.802 0.841 564 HE2 HIS 75 2HE HIS 75 8.509 -4.425 -1.272 565 H ARG 76 HN ARG 76 4.878 -1.022 4.390 566 HA ARG 76 HA ARG 76 6.504 -2.779 5.993 567 HB2 ARG 76 2HB ARG 76 7.609 -0.443 5.957 568 HB3 ARG 76 1HB ARG 76 6.248 0.066 6.942 569 HG2 ARG 76 2HG ARG 76 6.862 -1.643 8.613 570 HG3 ARG 76 1HG ARG 76 8.277 -2.045 7.635 571 HD2 ARG 76 2HD ARG 76 9.015 0.313 7.836 572 HD3 ARG 76 1HD ARG 76 7.655 0.611 8.915 573 HE ARG 76 HE ARG 76 9.938 -1.161 9.499 574 HH11 ARG 76 1HH1 ARG 76 7.159 0.685 10.567 575 HH12 ARG 76 2HH1 ARG 76 7.668 0.723 12.233 576 HH21 ARG 76 1HH2 ARG 76 10.581 -1.161 11.679 577 HH22 ARG 76 2HH2 ARG 76 9.612 -0.344 12.868 578 H GLY 77 HN GLY 77 5.555 -3.115 8.139 579 HA2 GLY 77 2HA GLY 77 3.701 -2.412 9.654 580 HA3 GLY 77 1HA GLY 77 2.696 -2.375 8.212 581 H PHE 78 HN PHE 78 2.953 -4.549 6.918 582 HA PHE 78 HA PHE 78 2.001 -6.637 8.627 583 HB2 PHE 78 2HB PHE 78 2.152 -7.965 6.389 584 HB3 PHE 78 1HB PHE 78 0.965 -6.677 6.543 585 HD1 PHE 78 2HD PHE 78 4.348 -7.435 5.206 586 HD2 PHE 78 1HD PHE 78 0.936 -4.899 5.053 587 HE1 PHE 78 2HE PHE 78 5.250 -6.344 3.192 588 HE2 PHE 78 1HE PHE 78 1.831 -3.805 3.043 589 HZ PHE 78 HZ PHE 78 3.987 -4.527 2.112 590 HA PRO 79 HA PRO 79 5.619 -8.822 9.774 591 HB2 PRO 79 2HB PRO 79 4.902 -11.410 8.990 592 HB3 PRO 79 1HB PRO 79 4.536 -10.658 10.544 593 HG2 PRO 79 2HG PRO 79 2.818 -10.944 8.124 594 HG3 PRO 79 1HG PRO 79 2.374 -11.034 9.838 595 HD2 PRO 79 2HD PRO 79 1.821 -8.866 8.375 596 HD3 PRO 79 1HD PRO 79 2.324 -8.724 10.074 597 H GLY 80 HN GLY 80 7.489 -8.766 8.770 598 HA2 GLY 80 2HA GLY 80 7.703 -9.017 5.910 599 HA3 GLY 80 1HA GLY 80 9.014 -8.689 7.032 600 H ASP 81 HN ASP 81 6.735 -11.350 6.654 601 HA ASP 81 HA ASP 81 8.990 -13.179 6.210 602 HB2 ASP 81 2HB ASP 81 8.262 -13.265 8.593 603 HB3 ASP 81 1HB ASP 81 6.674 -13.783 8.039 604 H LEU 82 HN LEU 82 5.674 -12.343 5.679 605 HA LEU 82 HA LEU 82 5.005 -14.725 4.224 606 HB2 LEU 82 2HB LEU 82 3.625 -12.039 4.351 607 HB3 LEU 82 1HB LEU 82 2.953 -13.490 3.631 608 HG LEU 82 HG LEU 82 3.638 -13.157 6.552 609 HD11 LEU 82 1HD1 LEU 82 1.245 -13.080 6.920 610 HD12 LEU 82 2HD1 LEU 82 0.951 -13.203 5.186 611 HD13 LEU 82 3HD1 LEU 82 1.739 -11.770 5.847 612 HD21 LEU 82 3HD2 LEU 82 2.405 -15.263 6.823 613 HD22 LEU 82 1HD2 LEU 82 3.850 -15.457 5.828 614 HD23 LEU 82 2HD2 LEU 82 2.260 -15.391 5.070 615 H ALA 83 HN ALA 83 4.316 -14.625 1.921 616 HA ALA 83 HA ALA 83 6.304 -13.243 0.338 617 HB1 ALA 83 1HB ALA 83 5.308 -14.404 -1.562 618 HB2 ALA 83 2HB ALA 83 3.994 -14.976 -0.534 619 HB3 ALA 83 3HB ALA 83 5.645 -15.523 -0.244 620 H VAL 84 HN VAL 84 5.987 -11.120 0.145 621 HA VAL 84 HA VAL 84 3.270 -10.079 -0.093 622 HB VAL 84 HB VAL 84 5.870 -8.569 0.223 623 HG11 VAL 84 1HG1 VAL 84 4.101 -7.223 -0.775 624 HG12 VAL 84 2HG1 VAL 84 4.441 -6.686 0.870 625 HG13 VAL 84 3HG1 VAL 84 3.009 -7.659 0.537 626 HG21 VAL 84 3HG2 VAL 84 5.437 -10.012 2.149 627 HG22 VAL 84 1HG2 VAL 84 3.826 -9.317 2.312 628 HG23 VAL 84 2HG2 VAL 84 5.249 -8.309 2.571 629 H THR 85 HN THR 85 2.436 -9.497 -1.988 630 HA THR 85 HA THR 85 4.298 -8.951 -4.200 631 HB THR 85 HB THR 85 1.425 -9.731 -4.547 632 HG1 THR 85 1HG THR 85 3.279 -11.274 -3.510 633 HG21 THR 85 3HG2 THR 85 2.534 -8.735 -6.475 634 HG22 THR 85 1HG2 THR 85 2.196 -10.443 -6.765 635 HG23 THR 85 2HG2 THR 85 3.831 -9.924 -6.355 636 H VAL 86 HN VAL 86 4.320 -7.023 -4.929 637 HA VAL 86 HA VAL 86 2.090 -5.138 -4.455 638 HB VAL 86 HB VAL 86 4.427 -3.753 -5.302 639 HG11 VAL 86 1HG1 VAL 86 4.244 -2.645 -3.100 640 HG12 VAL 86 2HG1 VAL 86 3.135 -3.905 -2.560 641 HG13 VAL 86 3HG1 VAL 86 2.672 -2.829 -3.876 642 HG21 VAL 86 3HG2 VAL 86 5.041 -5.755 -3.131 643 HG22 VAL 86 1HG2 VAL 86 5.964 -4.268 -3.370 644 HG23 VAL 86 2HG2 VAL 86 5.889 -5.471 -4.657 645 H GLU 87 HN GLU 87 1.390 -3.942 -6.456 646 HA GLU 87 HA GLU 87 3.714 -3.856 -8.203 647 HB2 GLU 87 2HB GLU 87 2.395 -5.703 -9.122 648 HB3 GLU 87 1HB GLU 87 1.049 -4.601 -9.384 649 HG2 GLU 87 2HG GLU 87 2.226 -3.392 -11.029 650 HG3 GLU 87 1HG GLU 87 3.760 -4.139 -10.590 651 HA PRO 88 HA PRO 88 3.695 -0.892 -10.150 652 HB2 PRO 88 2HB PRO 88 4.994 1.087 -8.751 653 HB3 PRO 88 1HB PRO 88 3.296 1.181 -9.207 654 HG2 PRO 88 2HG PRO 88 4.380 0.993 -6.563 655 HG3 PRO 88 1HG PRO 88 2.668 0.985 -7.023 656 HD2 PRO 88 2HD PRO 88 4.493 -1.324 -6.477 657 HD3 PRO 88 1HD PRO 88 2.743 -1.173 -6.187 658 H ARG 89 HN ARG 89 5.697 -1.550 -10.960 659 HA ARG 89 HA ARG 89 7.245 -3.169 -9.124 660 HB2 ARG 89 2HB ARG 89 7.818 -2.371 -12.022 661 HB3 ARG 89 1HB ARG 89 8.767 -3.534 -11.111 662 HG2 ARG 89 2HG ARG 89 5.835 -3.845 -11.707 663 HG3 ARG 89 1HG ARG 89 7.132 -4.537 -12.681 664 HD2 ARG 89 2HD ARG 89 7.863 -5.916 -10.863 665 HD3 ARG 89 1HD ARG 89 6.785 -5.090 -9.734 666 HE ARG 89 HE ARG 89 5.052 -6.055 -11.545 667 HH11 ARG 89 1HH1 ARG 89 7.728 -7.618 -9.892 668 HH12 ARG 89 2HH1 ARG 89 6.927 -9.166 -9.810 669 HH21 ARG 89 1HH2 ARG 89 4.028 -8.074 -11.468 670 HH22 ARG 89 2HH2 ARG 89 4.829 -9.429 -10.726 671 H MET 90 HN MET 90 7.720 -0.218 -10.975 672 HA MET 90 HA MET 90 9.177 0.905 -8.705 673 HB2 MET 90 2HB MET 90 10.014 1.174 -11.609 674 HB3 MET 90 1HB MET 90 10.652 2.159 -10.297 675 HG2 MET 90 2HG MET 90 11.609 0.207 -9.248 676 HG3 MET 90 1HG MET 90 10.890 -0.837 -10.475 677 HE1 MET 90 3HE MET 90 14.283 2.197 -11.272 678 HE2 MET 90 1HE MET 90 13.628 1.848 -9.671 679 HE3 MET 90 2HE MET 90 12.635 2.683 -10.869 680 H ALA 91 HN ALA 91 8.870 3.302 -8.640 681 HA ALA 91 HA ALA 91 6.320 3.945 -9.994 682 HB1 ALA 91 1HB ALA 91 5.995 3.476 -7.623 683 HB2 ALA 91 2HB ALA 91 5.638 5.163 -7.997 684 HB3 ALA 91 3HB ALA 91 7.158 4.736 -7.208 685 H ARG 92 HN ARG 92 6.017 5.933 -10.820 686 HA ARG 92 HA ARG 92 8.355 7.697 -10.856 687 HB2 ARG 92 2HB ARG 92 7.675 8.488 -12.996 688 HB3 ARG 92 1HB ARG 92 7.553 6.740 -13.059 689 HG2 ARG 92 2HG ARG 92 5.174 8.474 -12.476 690 HG3 ARG 92 1HG ARG 92 5.681 8.103 -14.122 691 HD2 ARG 92 2HD ARG 92 5.069 6.006 -12.044 692 HD3 ARG 92 1HD ARG 92 3.878 6.623 -13.188 693 HE ARG 92 HE ARG 92 6.322 5.137 -13.931 694 HH11 ARG 92 1HH1 ARG 92 2.977 6.030 -14.482 695 HH12 ARG 92 2HH1 ARG 92 2.851 5.131 -15.963 696 HH21 ARG 92 1HH2 ARG 92 6.150 3.939 -15.884 697 HH22 ARG 92 2HH2 ARG 92 4.636 3.929 -16.750 698 H VAL 93 HN VAL 93 8.179 9.776 -10.198 699 HA VAL 93 HA VAL 93 5.494 10.862 -9.667 700 HB VAL 93 HB VAL 93 7.863 11.055 -7.788 701 HG11 VAL 93 1HG1 VAL 93 6.640 13.150 -7.825 702 HG12 VAL 93 2HG1 VAL 93 6.355 12.303 -6.304 703 HG13 VAL 93 3HG1 VAL 93 5.122 12.293 -7.565 704 HG21 VAL 93 3HG2 VAL 93 6.761 8.910 -7.620 705 HG22 VAL 93 1HG2 VAL 93 5.189 9.696 -7.472 706 HG23 VAL 93 2HG2 VAL 93 6.393 9.883 -6.196 707 H GLN 94 HN GLN 94 5.239 12.977 -10.238 708 HA GLN 94 HA GLN 94 7.510 14.247 -11.602 709 HB2 GLN 94 2HB GLN 94 5.423 13.957 -12.888 710 HB3 GLN 94 1HB GLN 94 4.549 14.885 -11.680 711 HG2 GLN 94 2HG GLN 94 4.899 16.388 -13.411 712 HG3 GLN 94 1HG GLN 94 6.151 16.792 -12.243 713 HE21 GLN 94 1HE2 GLN 94 6.068 17.350 -15.053 714 HE22 GLN 94 2HE2 GLN 94 7.453 16.584 -15.745 715 H LEU 95 HN LEU 95 8.566 15.829 -10.590 716 HA LEU 95 HA LEU 95 7.164 17.287 -8.456 717 HB2 LEU 95 2HB LEU 95 10.064 16.463 -8.581 718 HB3 LEU 95 1HB LEU 95 9.396 17.538 -7.369 719 HG LEU 95 HG LEU 95 8.607 14.652 -7.775 720 HD11 LEU 95 1HD1 LEU 95 9.744 14.264 -5.658 721 HD12 LEU 95 2HD1 LEU 95 10.242 15.956 -5.604 722 HD13 LEU 95 3HD1 LEU 95 10.856 14.893 -6.872 723 HD21 LEU 95 3HD2 LEU 95 7.794 16.633 -5.652 724 HD22 LEU 95 1HD2 LEU 95 7.361 14.924 -5.696 725 HD23 LEU 95 2HD2 LEU 95 6.764 16.017 -6.943 726 H GLU 96 HN GLU 96 7.320 19.451 -8.413 727 HA GLU 96 HA GLU 96 9.000 20.746 -10.464 728 HB2 GLU 96 2HB GLU 96 6.673 21.017 -11.055 729 HB3 GLU 96 1HB GLU 96 6.266 21.525 -9.424 730 HG2 GLU 96 2HG GLU 96 6.290 23.440 -10.850 731 HG3 GLU 96 1HG GLU 96 7.655 23.539 -9.743 732 H GLU 97 HN GLU 97 10.222 22.495 -9.817 733 HA GLU 97 HA GLU 97 10.587 22.819 -6.961 734 HB2 GLU 97 2HB GLU 97 12.505 22.779 -8.586 735 HB3 GLU 97 1HB GLU 97 11.941 24.323 -9.212 736 HG2 GLU 97 2HG GLU 97 12.238 25.295 -6.950 737 HG3 GLU 97 1HG GLU 97 12.923 23.760 -6.422 738 H ARG 98 HN ARG 98 8.232 23.504 -7.017 739 HA ARG 98 HA ARG 98 6.640 25.036 -6.627 740 HB2 ARG 98 2HB ARG 98 8.182 26.069 -5.133 741 HB3 ARG 98 1HB ARG 98 9.037 26.841 -6.453 742 HG2 ARG 98 2HG ARG 98 7.157 28.294 -6.870 743 HG3 ARG 98 1HG ARG 98 6.190 27.436 -5.669 744 HD2 ARG 98 2HD ARG 98 7.002 29.477 -4.704 745 HD3 ARG 98 1HD ARG 98 7.822 28.116 -3.939 746 HE ARG 98 HE ARG 98 9.061 29.771 -6.050 747 HH11 ARG 98 1HH1 ARG 98 9.248 27.941 -3.064 748 HH12 ARG 98 2HH1 ARG 98 10.906 28.392 -2.750 749 HH21 ARG 98 1HH2 ARG 98 11.219 30.360 -5.640 750 HH22 ARG 98 2HH2 ARG 98 12.016 29.786 -4.199 751 H GLN 99 HN GLN 99 5.303 26.513 -7.649 752 HA GLN 99 HA GLN 99 5.473 26.771 -10.436 753 HB2 GLN 99 2HB GLN 99 3.357 26.927 -9.231 754 HB3 GLN 99 1HB GLN 99 3.899 28.391 -8.422 755 HG2 GLN 99 2HG GLN 99 3.944 29.572 -10.522 756 HG3 GLN 99 1HG GLN 99 3.492 28.101 -11.383 757 HE21 GLN 99 1HE2 GLN 99 1.632 29.013 -12.219 758 HE22 GLN 99 2HE2 GLN 99 0.235 29.329 -11.239 759 H THR 100 HN THR 100 6.458 28.217 -11.736 760 HA THR 100 HA THR 100 8.433 29.945 -10.679 761 HB THR 100 HB THR 100 7.273 29.848 -13.474 762 HG1 THR 100 1HG THR 100 8.431 27.932 -12.531 763 HG21 THR 100 3HG2 THR 100 8.394 31.980 -13.046 764 HG22 THR 100 1HG2 THR 100 9.341 30.987 -14.153 765 HG23 THR 100 2HG2 THR 100 9.820 31.125 -12.461 766 H VAL 101 HN VAL 101 7.879 31.658 -9.504 767 HA VAL 101 HA VAL 101 5.768 33.433 -10.523 768 HB VAL 101 HB VAL 101 5.352 32.574 -8.259 769 HG11 VAL 101 1HG1 VAL 101 7.608 32.211 -7.495 770 HG12 VAL 101 2HG1 VAL 101 6.773 33.286 -6.375 771 HG13 VAL 101 3HG1 VAL 101 7.935 33.943 -7.529 772 HG21 VAL 101 3HG2 VAL 101 4.492 34.769 -8.838 773 HG22 VAL 101 1HG2 VAL 101 5.998 35.519 -8.309 774 HG23 VAL 101 2HG2 VAL 101 4.954 34.717 -7.138 775 H SER 102 HN SER 102 6.254 35.492 -11.080 776 HA SER 102 HA SER 102 9.087 36.208 -11.086 777 HB2 SER 102 2HB SER 102 6.793 37.569 -12.516 778 HB3 SER 102 1HB SER 102 8.517 37.781 -12.823 779 HG SER 102 HG SER 102 6.812 35.692 -13.539 780 H VAL 103 HN VAL 103 6.813 36.533 -8.934 781 HA VAL 103 HA VAL 103 7.490 39.316 -8.238 782 HB VAL 103 HB VAL 103 5.008 37.792 -7.409 783 HG11 VAL 103 1HG1 VAL 103 5.712 39.433 -5.757 784 HG12 VAL 103 2HG1 VAL 103 4.232 39.956 -6.561 785 HG13 VAL 103 3HG1 VAL 103 5.780 40.681 -7.002 786 HG21 VAL 103 3HG2 VAL 103 5.302 40.010 -9.435 787 HG22 VAL 103 1HG2 VAL 103 3.782 39.292 -8.903 788 HG23 VAL 103 2HG2 VAL 103 4.954 38.318 -9.791 789 HA PRO 104 HA PRO 104 9.617 37.307 -4.881 790 HB2 PRO 104 2HB PRO 104 10.374 39.538 -3.554 791 HB3 PRO 104 1HB PRO 104 11.145 38.994 -5.045 792 HG2 PRO 104 2HG PRO 104 9.068 41.110 -4.653 793 HG3 PRO 104 1HG PRO 104 10.517 41.143 -5.675 794 HD2 PRO 104 2HD PRO 104 8.039 40.641 -6.660 795 HD3 PRO 104 1HD PRO 104 9.512 39.939 -7.358 796 H VAL 105 HN VAL 105 7.041 36.931 -4.479 797 HA VAL 105 HA VAL 105 6.288 38.117 -1.919 798 HB VAL 105 HB VAL 105 4.231 36.715 -2.123 799 HG11 VAL 105 1HG1 VAL 105 4.843 38.478 -4.491 800 HG12 VAL 105 2HG1 VAL 105 4.249 39.014 -2.920 801 HG13 VAL 105 3HG1 VAL 105 3.233 38.005 -3.949 802 HG21 VAL 105 3HG2 VAL 105 3.754 35.616 -4.269 803 HG22 VAL 105 1HG2 VAL 105 5.143 34.889 -3.458 804 HG23 VAL 105 2HG2 VAL 105 5.389 35.988 -4.816 805 H THR 106 HN THR 106 7.745 35.285 -3.217 806 HA THR 106 HA THR 106 7.521 33.864 -0.670 807 HB THR 106 HB THR 106 8.736 32.912 -3.272 808 HG1 THR 106 1HG THR 106 6.116 32.707 -2.178 809 HG21 THR 106 3HG2 THR 106 8.491 30.679 -2.273 810 HG22 THR 106 1HG2 THR 106 7.908 31.419 -0.784 811 HG23 THR 106 2HG2 THR 106 9.563 31.708 -1.321 812 H VAL 107 HN VAL 107 9.026 34.314 0.771 813 HA VAL 107 HA VAL 107 11.575 35.457 -0.073 814 HB VAL 107 HB VAL 107 10.461 35.114 2.717 815 HG11 VAL 107 1HG1 VAL 107 12.148 36.752 3.370 816 HG12 VAL 107 2HG1 VAL 107 12.760 36.786 1.716 817 HG13 VAL 107 3HG1 VAL 107 12.894 35.313 2.675 818 HG21 VAL 107 3HG2 VAL 107 9.036 36.579 1.412 819 HG22 VAL 107 1HG2 VAL 107 10.438 37.522 0.901 820 HG23 VAL 107 2HG2 VAL 107 9.949 37.516 2.595 821 H GLU 108 HN GLU 108 10.247 32.678 1.588 822 HA GLU 108 HA GLU 108 11.042 30.613 2.045 823 HB2 GLU 108 2HB GLU 108 13.354 31.394 0.268 824 HB3 GLU 108 1HB GLU 108 13.008 29.765 0.835 825 HG2 GLU 108 2HG GLU 108 10.853 29.844 -0.341 826 HG3 GLU 108 1HG GLU 108 11.269 31.443 -0.956 827 H MET 109 HN MET 109 11.498 30.434 4.122 828 HA MET 109 HA MET 109 13.830 31.720 5.255 829 HB2 MET 109 2HB MET 109 11.583 31.380 6.459 830 HB3 MET 109 1HB MET 109 12.068 29.703 6.649 831 HG2 MET 109 2HG MET 109 13.658 32.056 7.649 832 HG3 MET 109 1HG MET 109 12.525 31.130 8.628 833 HE1 MET 109 3HE MET 109 16.236 30.213 9.811 834 HE2 MET 109 1HE MET 109 14.730 30.989 10.302 835 HE3 MET 109 2HE MET 109 15.750 31.739 9.074 836 H ILE 110 HN ILE 110 15.647 30.834 4.484 837 HA ILE 110 HA ILE 110 16.015 27.936 4.848 838 HB ILE 110 HB ILE 110 17.706 28.038 3.039 839 HG12 ILE 110 2HG1 ILE 110 16.671 30.852 2.598 840 HG13 ILE 110 1HG1 ILE 110 18.252 30.449 3.257 841 HG21 ILE 110 1HG2 ILE 110 14.940 28.966 2.288 842 HG22 ILE 110 2HG2 ILE 110 15.489 27.298 2.469 843 HG23 ILE 110 3HG2 ILE 110 16.115 28.297 1.156 844 HD11 ILE 110 3HD1 ILE 110 18.404 31.056 0.914 845 HD12 ILE 110 1HD1 ILE 110 17.267 29.776 0.495 846 HD13 ILE 110 2HD1 ILE 110 18.851 29.367 1.153 847 H ASN 111 HN ASN 111 18.236 27.295 5.393 848 HA ASN 111 HA ASN 111 19.452 29.166 7.227 849 HB2 ASN 111 2HB ASN 111 19.302 26.712 7.715 850 HB3 ASN 111 1HB ASN 111 20.451 26.427 6.411 851 HD21 ASN 111 1HD2 ASN 111 21.899 25.500 7.906 852 HD22 ASN 111 2HD2 ASN 111 22.834 26.488 8.977 853 H LEU 112 HN LEU 112 20.942 30.587 6.683 854 HA LEU 112 HA LEU 112 21.755 30.707 3.929 855 HB2 LEU 112 2HB LEU 112 21.241 32.576 5.883 856 HB3 LEU 112 1HB LEU 112 22.987 32.640 5.743 857 HG LEU 112 HG LEU 112 21.972 34.313 4.315 858 HD11 LEU 112 1HD1 LEU 112 24.038 33.326 3.522 859 HD12 LEU 112 2HD1 LEU 112 22.976 33.684 2.160 860 HD13 LEU 112 3HD1 LEU 112 23.142 32.026 2.735 861 HD21 LEU 112 3HD2 LEU 112 20.529 33.704 2.451 862 HD22 LEU 112 1HD2 LEU 112 19.814 33.216 3.987 863 HD23 LEU 112 2HD2 LEU 112 20.580 32.013 2.952 864 H GLU 113 HN GLU 113 22.953 28.549 4.432 865 HA GLU 113 HA GLU 113 25.726 29.014 5.211 866 HB2 GLU 113 2HB GLU 113 24.591 26.567 3.851 867 HB3 GLU 113 1HB GLU 113 26.066 26.682 4.797 868 HG2 GLU 113 2HG GLU 113 24.880 26.811 6.818 869 HG3 GLU 113 1HG GLU 113 23.352 27.126 5.993 870 H HIS 114 HN HIS 114 23.846 28.125 2.372 871 HA HIS 114 HA HIS 114 26.086 28.603 0.600 872 HB2 HIS 114 2HB HIS 114 24.564 27.826 -1.189 873 HB3 HIS 114 1HB HIS 114 24.684 26.670 0.129 874 HD1 HIS 114 1HD HIS 114 22.271 28.532 -1.868 875 HD2 HIS 114 2HD HIS 114 22.327 26.697 1.867 876 HE1 HIS 114 1HE HIS 114 19.855 28.246 -1.208 877 HE2 HIS 114 2HE HIS 114 19.914 27.019 0.996 878 H HIS 115 HN HIS 115 26.496 30.477 -0.279 879 HA HIS 115 HA HIS 115 24.312 32.437 -0.567 880 HB2 HIS 115 2HB HIS 115 26.110 34.180 -0.565 881 HB3 HIS 115 1HB HIS 115 25.961 33.315 0.957 882 HD1 HIS 115 1HD HIS 115 28.332 34.063 -1.789 883 HD2 HIS 115 2HD HIS 115 28.135 31.566 1.535 884 HE1 HIS 115 1HE HIS 115 30.680 33.227 -1.421 885 HE2 HIS 115 2HE HIS 115 30.515 31.627 0.526 886 H HIS 116 HN HIS 116 23.841 33.132 -2.579 887 HA HIS 116 HA HIS 116 25.163 31.706 -4.723 888 HB2 HIS 116 2HB HIS 116 23.393 32.532 -6.179 889 HB3 HIS 116 1HB HIS 116 22.709 31.831 -4.722 890 HD1 HIS 116 1HD HIS 116 22.595 34.812 -6.805 891 HD2 HIS 116 2HD HIS 116 21.804 33.878 -2.826 892 HE1 HIS 116 1HE HIS 116 21.170 36.694 -5.930 893 HE2 HIS 116 2HE HIS 116 20.729 36.129 -3.512 894 H HIS 117 HN HIS 117 26.832 32.445 -5.772 895 HA HIS 117 HA HIS 117 27.660 35.176 -5.583 896 HB2 HIS 117 2HB HIS 117 29.493 34.505 -7.111 897 HB3 HIS 117 1HB HIS 117 29.352 33.447 -5.715 898 HD1 HIS 117 1HD HIS 117 29.514 31.049 -6.249 899 HD2 HIS 117 2HD HIS 117 28.100 33.240 -9.491 900 HE1 HIS 117 1HE HIS 117 29.286 29.401 -8.136 901 HE2 HIS 117 2HE HIS 117 28.385 30.729 -10.077 902 H HIS 118 HN HIS 118 28.289 36.388 -7.636 903 HA HIS 118 HA HIS 118 26.024 36.207 -9.518 904 HB2 HIS 118 2HB HIS 118 26.281 38.240 -7.884 905 HB3 HIS 118 1HB HIS 118 27.526 38.760 -9.013 906 HD1 HIS 118 1HD HIS 118 23.990 39.029 -8.393 907 HD2 HIS 118 2HD HIS 118 26.413 38.971 -11.775 908 HE1 HIS 118 1HE HIS 118 22.616 40.051 -10.232 909 HE2 HIS 118 2HE HIS 118 24.119 40.063 -12.256 910 H HIS 119 HN HIS 119 28.955 38.183 -9.704 911 HA HIS 119 HA HIS 119 30.485 36.411 -11.245 912 HB2 HIS 119 2HB HIS 119 30.435 37.402 -13.443 913 HB3 HIS 119 1HB HIS 119 28.801 36.926 -13.014 914 HD1 HIS 119 1HD HIS 119 27.064 38.626 -13.438 915 HD2 HIS 119 2HD HIS 119 30.846 40.334 -13.092 916 HE1 HIS 119 1HE HIS 119 26.763 41.071 -13.960 917 HE2 HIS 119 2HE HIS 119 29.070 42.072 -13.812 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -5.143 -27.585 13.298 2 H2 MET 1 H2 MET 1 -4.962 -29.157 13.907 3 H3 MET 1 H3 MET 1 -6.497 -28.436 13.876 4 HA MET 1 HA MET 1 -6.334 -30.032 12.120 5 HB2 MET 1 2HB MET 1 -6.898 -28.596 10.221 6 HB3 MET 1 1HB MET 1 -7.645 -27.994 11.693 7 HG2 MET 1 2HG MET 1 -5.828 -26.329 11.882 8 HG3 MET 1 1HG MET 1 -5.188 -26.900 10.342 9 HE1 MET 1 2HE MET 1 -9.334 -24.928 10.801 10 HE2 MET 1 3HE MET 1 -8.200 -25.101 12.139 11 HE3 MET 1 1HE MET 1 -8.937 -26.535 11.415 12 HA PRO 2 HA PRO 2 -2.418 -30.856 10.333 13 HB2 PRO 2 2HB PRO 2 -3.079 -32.034 7.998 14 HB3 PRO 2 1HB PRO 2 -3.374 -32.800 9.563 15 HG2 PRO 2 2HG PRO 2 -5.272 -31.297 7.804 16 HG3 PRO 2 1HG PRO 2 -5.525 -32.820 8.673 17 HD2 PRO 2 2HD PRO 2 -6.427 -30.435 9.596 18 HD3 PRO 2 1HD PRO 2 -5.935 -31.758 10.672 19 H THR 3 HN THR 3 -2.593 -28.255 10.073 20 HA THR 3 HA THR 3 -1.967 -26.415 8.917 21 HB THR 3 HB THR 3 -0.170 -26.728 7.221 22 HG1 THR 3 1HG THR 3 -1.154 -29.287 7.246 23 HG21 THR 3 3HG2 THR 3 0.120 -28.303 9.778 24 HG22 THR 3 1HG2 THR 3 0.425 -26.579 9.560 25 HG23 THR 3 2HG2 THR 3 1.459 -27.765 8.764 26 H PHE 4 HN PHE 4 -1.370 -25.888 6.282 27 HA PHE 4 HA PHE 4 -3.379 -26.876 4.509 28 HB2 PHE 4 2HB PHE 4 -4.605 -25.156 5.885 29 HB3 PHE 4 1HB PHE 4 -3.490 -23.966 5.247 30 HD1 PHE 4 1HD PHE 4 -5.851 -26.582 4.064 31 HD2 PHE 4 2HD PHE 4 -4.109 -22.763 3.395 32 HE1 PHE 4 1HE PHE 4 -7.328 -26.250 2.130 33 HE2 PHE 4 2HE PHE 4 -5.582 -22.425 1.454 34 HZ PHE 4 HZ PHE 4 -7.197 -24.171 0.817 35 H ASP 5 HN ASP 5 -2.944 -26.143 2.315 36 HA ASP 5 HA ASP 5 -0.096 -25.610 2.101 37 HB2 ASP 5 2HB ASP 5 -1.062 -27.658 1.011 38 HB3 ASP 5 1HB ASP 5 -1.910 -26.587 -0.100 39 H HIS 6 HN HIS 6 -0.263 -23.480 2.499 40 HA HIS 6 HA HIS 6 0.124 -21.345 1.804 41 HB2 HIS 6 2HB HIS 6 -0.909 -22.211 -0.912 42 HB3 HIS 6 1HB HIS 6 -0.172 -20.660 -0.548 43 HD1 HIS 6 1HD HIS 6 2.366 -20.539 -0.496 44 HD2 HIS 6 2HD HIS 6 0.885 -24.385 -1.057 45 HE1 HIS 6 1HE HIS 6 4.346 -21.941 -1.187 46 HE2 HIS 6 2HE HIS 6 3.371 -24.207 -1.719 47 H GLY 7 HN GLY 7 -1.008 -19.428 1.646 48 HA2 GLY 7 2HA GLY 7 -3.823 -19.459 0.930 49 HA3 GLY 7 1HA GLY 7 -3.463 -19.040 2.606 50 H ASN 8 HN ASN 8 -4.715 -17.172 1.028 51 HA ASN 8 HA ASN 8 -2.527 -15.244 0.602 52 HB2 ASN 8 2HB ASN 8 -5.058 -15.491 -1.011 53 HB3 ASN 8 1HB ASN 8 -3.958 -14.132 -1.116 54 HD21 ASN 8 1HD2 ASN 8 -2.062 -14.323 -2.218 55 HD22 ASN 8 2HD2 ASN 8 -1.654 -15.718 -3.164 56 H LEU 9 HN LEU 9 -2.945 -13.131 1.082 57 HA LEU 9 HA LEU 9 -5.478 -12.478 2.397 58 HB2 LEU 9 2HB LEU 9 -3.567 -12.981 4.027 59 HB3 LEU 9 1HB LEU 9 -2.803 -11.527 3.418 60 HG LEU 9 HG LEU 9 -4.036 -11.272 5.576 61 HD11 LEU 9 1HD1 LEU 9 -5.038 -9.137 5.037 62 HD12 LEU 9 2HD1 LEU 9 -5.055 -9.560 3.324 63 HD13 LEU 9 3HD1 LEU 9 -3.519 -9.340 4.161 64 HD21 LEU 9 3HD2 LEU 9 -5.925 -12.716 5.104 65 HD22 LEU 9 1HD2 LEU 9 -6.455 -11.626 3.824 66 HD23 LEU 9 2HD2 LEU 9 -6.474 -11.086 5.501 67 H SER 10 HN SER 10 -6.319 -10.692 1.545 68 HA SER 10 HA SER 10 -4.662 -9.280 -0.400 69 HB2 SER 10 2HB SER 10 -7.046 -8.450 -1.115 70 HB3 SER 10 1HB SER 10 -6.514 -10.080 -1.537 71 HG SER 10 HG SER 10 -8.044 -10.851 -0.334 72 H LEU 11 HN LEU 11 -3.679 -7.604 0.533 73 HA LEU 11 HA LEU 11 -5.032 -5.851 2.382 74 HB2 LEU 11 2HB LEU 11 -2.426 -5.484 0.887 75 HB3 LEU 11 1HB LEU 11 -3.001 -4.465 2.192 76 HG LEU 11 HG LEU 11 -2.328 -7.394 2.488 77 HD11 LEU 11 1HD1 LEU 11 -0.752 -4.939 3.245 78 HD12 LEU 11 2HD1 LEU 11 -0.335 -6.095 1.979 79 HD13 LEU 11 3HD1 LEU 11 -0.333 -6.600 3.671 80 HD21 LEU 11 3HD2 LEU 11 -2.430 -6.899 4.886 81 HD22 LEU 11 1HD2 LEU 11 -3.983 -6.620 4.096 82 HD23 LEU 11 2HD2 LEU 11 -2.950 -5.254 4.521 83 H GLY 12 HN GLY 12 -4.505 -6.130 -1.012 84 HA2 GLY 12 2HA GLY 12 -5.716 -5.066 -2.699 85 HA3 GLY 12 1HA GLY 12 -6.310 -3.909 -1.514 86 H GLU 13 HN GLU 13 -5.819 -2.167 -2.905 87 HA GLU 13 HA GLU 13 -2.973 -1.705 -3.361 88 HB2 GLU 13 2HB GLU 13 -3.752 0.175 -4.802 89 HB3 GLU 13 1HB GLU 13 -4.304 -1.409 -5.330 90 HG2 GLU 13 2HG GLU 13 -6.464 -0.901 -4.099 91 HG3 GLU 13 1HG GLU 13 -5.880 0.759 -3.982 92 H LEU 14 HN LEU 14 -1.873 -0.452 -2.049 93 HA LEU 14 HA LEU 14 -3.354 1.111 -0.056 94 HB2 LEU 14 2HB LEU 14 -0.486 0.171 -0.070 95 HB3 LEU 14 1HB LEU 14 -1.248 1.079 1.223 96 HG LEU 14 HG LEU 14 -2.003 -1.713 0.342 97 HD11 LEU 14 1HD1 LEU 14 -0.636 -0.693 2.827 98 HD12 LEU 14 2HD1 LEU 14 0.106 -1.647 1.544 99 HD13 LEU 14 3HD1 LEU 14 -1.151 -2.356 2.557 100 HD21 LEU 14 3HD2 LEU 14 -3.494 -1.679 2.309 101 HD22 LEU 14 1HD2 LEU 14 -3.962 -0.481 1.098 102 HD23 LEU 14 2HD2 LEU 14 -3.103 0.024 2.555 103 H GLU 15 HN GLU 15 -2.651 3.214 0.517 104 HA GLU 15 HA GLU 15 -2.070 4.805 -1.778 105 HB2 GLU 15 2HB GLU 15 -2.278 5.611 1.127 106 HB3 GLU 15 1HB GLU 15 -2.272 6.713 -0.243 107 HG2 GLU 15 2HG GLU 15 -4.361 5.758 -1.037 108 HG3 GLU 15 1HG GLU 15 -4.357 4.613 0.301 109 H LEU 16 HN LEU 16 -0.243 5.763 -2.385 110 HA LEU 16 HA LEU 16 2.230 5.034 -1.092 111 HB2 LEU 16 2HB LEU 16 1.987 5.079 -3.549 112 HB3 LEU 16 1HB LEU 16 1.688 6.804 -3.480 113 HG LEU 16 HG LEU 16 3.998 7.070 -2.507 114 HD11 LEU 16 1HD1 LEU 16 4.293 4.781 -1.717 115 HD12 LEU 16 2HD1 LEU 16 5.578 5.241 -2.840 116 HD13 LEU 16 3HD1 LEU 16 4.260 4.201 -3.382 117 HD21 LEU 16 3HD2 LEU 16 3.569 7.591 -4.826 118 HD22 LEU 16 1HD2 LEU 16 3.708 5.888 -5.266 119 HD23 LEU 16 2HD2 LEU 16 5.123 6.767 -4.688 120 H THR 17 HN THR 17 3.131 6.184 0.497 121 HA THR 17 HA THR 17 2.402 9.013 0.807 122 HB THR 17 HB THR 17 3.880 7.248 2.774 123 HG1 THR 17 1HG THR 17 1.606 6.639 2.184 124 HG21 THR 17 3HG2 THR 17 4.199 9.629 3.155 125 HG22 THR 17 1HG2 THR 17 3.155 8.951 4.404 126 HG23 THR 17 2HG2 THR 17 2.456 9.893 3.086 127 H VAL 18 HN VAL 18 3.770 10.438 -0.041 128 HA VAL 18 HA VAL 18 6.596 9.660 -0.394 129 HB VAL 18 HB VAL 18 5.090 11.874 -1.803 130 HG11 VAL 18 1HG1 VAL 18 7.780 10.634 -2.358 131 HG12 VAL 18 2HG1 VAL 18 7.486 12.245 -1.710 132 HG13 VAL 18 3HG1 VAL 18 6.987 11.852 -3.354 133 HG21 VAL 18 3HG2 VAL 18 4.141 9.714 -2.403 134 HG22 VAL 18 1HG2 VAL 18 5.747 9.099 -2.789 135 HG23 VAL 18 2HG2 VAL 18 5.044 10.396 -3.754 136 H LEU 19 HN LEU 19 8.160 10.770 0.642 137 HA LEU 19 HA LEU 19 7.345 13.064 2.282 138 HB2 LEU 19 2HB LEU 19 8.608 10.941 3.144 139 HB3 LEU 19 1HB LEU 19 10.017 11.713 2.448 140 HG LEU 19 HG LEU 19 8.276 12.943 4.594 141 HD11 LEU 19 1HD1 LEU 19 10.102 12.431 6.118 142 HD12 LEU 19 2HD1 LEU 19 10.974 11.618 4.818 143 HD13 LEU 19 3HD1 LEU 19 9.445 10.959 5.403 144 HD21 LEU 19 3HD2 LEU 19 10.945 13.788 3.463 145 HD22 LEU 19 1HD2 LEU 19 10.151 14.512 4.862 146 HD23 LEU 19 2HD2 LEU 19 9.406 14.630 3.268 147 H TYR 20 HN TYR 20 7.764 15.028 1.550 148 HA TYR 20 HA TYR 20 10.386 15.703 0.600 149 HB2 TYR 20 2HB TYR 20 8.952 14.905 -1.444 150 HB3 TYR 20 1HB TYR 20 8.168 16.473 -1.275 151 HD1 TYR 20 1HD TYR 20 11.649 15.124 -1.271 152 HD2 TYR 20 2HD TYR 20 8.997 18.143 -2.651 153 HE1 TYR 20 1HE TYR 20 13.490 16.142 -2.540 154 HE2 TYR 20 2HE TYR 20 10.831 19.176 -3.929 155 HH TYR 20 HH TYR 20 13.813 17.591 -4.472 156 H ASP 21 HN ASP 21 10.089 18.250 -0.193 157 HA ASP 21 HA ASP 21 8.531 19.479 1.983 158 HB2 ASP 21 2HB ASP 21 11.278 20.170 0.971 159 HB3 ASP 21 1HB ASP 21 10.308 21.317 1.886 160 H GLU 22 HN GLU 22 7.065 20.862 1.420 161 HA GLU 22 HA GLU 22 6.412 21.466 -1.257 162 HB2 GLU 22 2HB GLU 22 5.501 23.007 1.176 163 HB3 GLU 22 1HB GLU 22 4.640 22.781 -0.340 164 HG2 GLU 22 2HG GLU 22 4.018 20.626 0.177 165 HG3 GLU 22 1HG GLU 22 5.327 20.414 1.339 166 H GLU 23 HN GLU 23 8.511 22.930 0.988 167 HA GLU 23 HA GLU 23 8.482 25.620 0.226 168 HB2 GLU 23 2HB GLU 23 10.770 23.969 1.304 169 HB3 GLU 23 1HB GLU 23 10.684 25.725 1.296 170 HG2 GLU 23 2HG GLU 23 8.967 25.755 2.891 171 HG3 GLU 23 1HG GLU 23 8.643 24.031 2.694 172 H ARG 24 HN ARG 24 9.900 22.848 -1.304 173 HA ARG 24 HA ARG 24 11.511 24.595 -3.030 174 HB2 ARG 24 2HB ARG 24 11.901 21.711 -2.227 175 HB3 ARG 24 1HB ARG 24 12.864 22.525 -3.449 176 HG2 ARG 24 2HG ARG 24 13.753 24.049 -1.850 177 HG3 ARG 24 1HG ARG 24 12.634 23.483 -0.611 178 HD2 ARG 24 2HD ARG 24 13.711 21.305 -0.607 179 HD3 ARG 24 1HD ARG 24 14.793 21.824 -1.899 180 HE ARG 24 HE ARG 24 15.810 23.369 -0.351 181 HH11 ARG 24 1HH1 ARG 24 13.682 20.983 1.066 182 HH12 ARG 24 2HH1 ARG 24 14.354 21.124 2.656 183 HH21 ARG 24 1HH2 ARG 24 16.753 23.521 1.734 184 HH22 ARG 24 2HH2 ARG 24 16.124 22.548 3.038 185 H TYR 25 HN TYR 25 9.988 21.374 -3.212 186 HA TYR 25 HA TYR 25 8.730 22.157 -5.733 187 HB2 TYR 25 2HB TYR 25 10.368 19.633 -5.354 188 HB3 TYR 25 1HB TYR 25 9.402 20.013 -6.773 189 HD1 TYR 25 2HD TYR 25 10.095 21.876 -8.270 190 HD2 TYR 25 1HD TYR 25 12.548 20.562 -5.053 191 HE1 TYR 25 2HE TYR 25 12.017 23.033 -9.271 192 HE2 TYR 25 1HE TYR 25 14.478 21.719 -6.044 193 HH TYR 25 HH TYR 25 15.222 22.549 -8.208 194 H ASP 26 HN ASP 26 6.868 20.907 -6.229 195 HA ASP 26 HA ASP 26 5.847 19.416 -3.906 196 HB2 ASP 26 2HB ASP 26 4.822 21.752 -4.636 197 HB3 ASP 26 1HB ASP 26 3.962 20.751 -5.795 198 H ILE 27 HN ILE 27 4.050 17.919 -4.515 199 HA ILE 27 HA ILE 27 5.096 16.161 -6.553 200 HB ILE 27 HB ILE 27 2.657 15.826 -4.795 201 HG12 ILE 27 2HG1 ILE 27 5.456 14.725 -4.465 202 HG13 ILE 27 1HG1 ILE 27 4.772 16.046 -3.523 203 HG21 ILE 27 1HG2 ILE 27 4.189 13.804 -6.427 204 HG22 ILE 27 2HG2 ILE 27 2.590 14.443 -6.807 205 HG23 ILE 27 3HG2 ILE 27 2.825 13.458 -5.362 206 HD11 ILE 27 3HD1 ILE 27 4.717 13.974 -2.275 207 HD12 ILE 27 1HD1 ILE 27 3.790 13.202 -3.560 208 HD13 ILE 27 2HD1 ILE 27 3.080 14.524 -2.630 209 H VAL 28 HN VAL 28 4.653 16.701 -8.595 210 HA VAL 28 HA VAL 28 2.060 17.823 -9.307 211 HB VAL 28 HB VAL 28 4.450 17.252 -11.072 212 HG11 VAL 28 1HG1 VAL 28 3.401 18.750 -12.674 213 HG12 VAL 28 2HG1 VAL 28 2.030 18.978 -11.589 214 HG13 VAL 28 3HG1 VAL 28 2.330 17.397 -12.307 215 HG21 VAL 28 3HG2 VAL 28 3.583 19.824 -9.757 216 HG22 VAL 28 1HG2 VAL 28 4.902 19.656 -10.916 217 HG23 VAL 28 2HG2 VAL 28 5.007 18.868 -9.343 218 H GLU 29 HN GLU 29 3.858 14.861 -9.570 219 HA GLU 29 HA GLU 29 1.462 13.504 -10.524 220 HB2 GLU 29 2HB GLU 29 2.974 14.169 -12.497 221 HB3 GLU 29 1HB GLU 29 4.124 13.002 -11.868 222 HG2 GLU 29 2HG GLU 29 1.347 12.093 -12.353 223 HG3 GLU 29 1HG GLU 29 2.376 12.405 -13.747 224 H GLN 30 HN GLN 30 1.585 11.165 -10.089 225 HA GLN 30 HA GLN 30 3.643 10.067 -8.475 226 HB2 GLN 30 2HB GLN 30 2.860 11.685 -6.831 227 HB3 GLN 30 1HB GLN 30 1.199 11.166 -7.061 228 HG2 GLN 30 2HG GLN 30 1.894 8.908 -6.214 229 HG3 GLN 30 1HG GLN 30 3.446 9.626 -5.794 230 HE21 GLN 30 1HE2 GLN 30 2.230 12.183 -5.055 231 HE22 GLN 30 2HE2 GLN 30 1.481 11.919 -3.522 232 H THR 31 HN THR 31 3.246 7.893 -7.995 233 HA THR 31 HA THR 31 1.054 6.620 -9.326 234 HB THR 31 HB THR 31 2.990 5.416 -7.330 235 HG1 THR 31 1HG THR 31 3.318 6.274 -9.906 236 HG21 THR 31 3HG2 THR 31 1.033 4.019 -7.739 237 HG22 THR 31 1HG2 THR 31 2.460 3.310 -8.494 238 HG23 THR 31 2HG2 THR 31 1.274 4.163 -9.478 239 H GLU 32 HN GLU 32 -0.926 6.512 -8.547 240 HA GLU 32 HA GLU 32 -1.662 7.655 -6.100 241 HB2 GLU 32 2HB GLU 32 -3.211 5.822 -7.934 242 HB3 GLU 32 1HB GLU 32 -3.918 6.765 -6.627 243 HG2 GLU 32 2HG GLU 32 -3.883 8.662 -7.808 244 HG3 GLU 32 1HG GLU 32 -2.295 8.327 -8.493 245 H THR 33 HN THR 33 -2.147 4.251 -7.030 246 HA THR 33 HA THR 33 -1.496 3.449 -4.294 247 HB THR 33 HB THR 33 -3.553 1.832 -4.561 248 HG1 THR 33 1HG THR 33 -4.875 2.319 -6.136 249 HG21 THR 33 3HG2 THR 33 -3.903 4.755 -3.886 250 HG22 THR 33 1HG2 THR 33 -3.335 3.498 -2.785 251 HG23 THR 33 2HG2 THR 33 -4.988 3.447 -3.401 252 H VAL 34 HN VAL 34 -0.642 1.384 -4.117 253 HA VAL 34 HA VAL 34 -0.506 -0.191 -6.607 254 HB VAL 34 HB VAL 34 1.691 -1.126 -5.676 255 HG11 VAL 34 1HG1 VAL 34 1.596 0.258 -7.652 256 HG12 VAL 34 2HG1 VAL 34 2.990 0.713 -6.671 257 HG13 VAL 34 3HG1 VAL 34 1.541 1.718 -6.661 258 HG21 VAL 34 3HG2 VAL 34 1.512 1.419 -4.070 259 HG22 VAL 34 1HG2 VAL 34 2.977 0.456 -4.280 260 HG23 VAL 34 2HG2 VAL 34 1.584 -0.228 -3.438 261 H GLN 35 HN GLN 35 -0.470 -2.451 -6.386 262 HA GLN 35 HA GLN 35 -2.218 -3.280 -4.211 263 HB2 GLN 35 2HB GLN 35 -2.878 -3.781 -6.510 264 HB3 GLN 35 1HB GLN 35 -1.385 -4.673 -6.764 265 HG2 GLN 35 2HG GLN 35 -2.200 -6.129 -4.792 266 HG3 GLN 35 1HG GLN 35 -3.777 -5.419 -5.138 267 HE21 GLN 35 1HE2 GLN 35 -1.275 -7.521 -6.254 268 HE22 GLN 35 2HE2 GLN 35 -2.157 -8.220 -7.569 269 H VAL 36 HN VAL 36 -1.635 -4.556 -2.597 270 HA VAL 36 HA VAL 36 0.758 -6.230 -2.917 271 HB VAL 36 HB VAL 36 1.450 -4.447 -1.478 272 HG11 VAL 36 1HG1 VAL 36 0.298 -3.868 0.592 273 HG12 VAL 36 2HG1 VAL 36 -0.980 -5.018 0.203 274 HG13 VAL 36 3HG1 VAL 36 -0.725 -3.603 -0.819 275 HG21 VAL 36 3HG2 VAL 36 2.238 -6.645 -0.836 276 HG22 VAL 36 1HG2 VAL 36 0.811 -6.887 0.171 277 HG23 VAL 36 2HG2 VAL 36 1.988 -5.645 0.595 278 H ASP 37 HN ASP 37 0.294 -8.280 -2.774 279 HA ASP 37 HA ASP 37 -1.962 -9.157 -1.082 280 HB2 ASP 37 2HB ASP 37 -2.320 -9.477 -3.559 281 HB3 ASP 37 1HB ASP 37 -0.913 -10.533 -3.573 282 H LEU 38 HN LEU 38 -1.572 -10.967 0.243 283 HA LEU 38 HA LEU 38 1.292 -11.629 0.488 284 HB2 LEU 38 2HB LEU 38 -0.839 -11.542 2.624 285 HB3 LEU 38 1HB LEU 38 0.821 -12.039 2.882 286 HG LEU 38 HG LEU 38 -0.077 -9.274 2.054 287 HD11 LEU 38 1HD1 LEU 38 0.669 -8.618 4.289 288 HD12 LEU 38 2HD1 LEU 38 1.020 -10.305 4.671 289 HD13 LEU 38 3HD1 LEU 38 -0.642 -9.796 4.366 290 HD21 LEU 38 3HD2 LEU 38 2.260 -8.646 2.407 291 HD22 LEU 38 1HD2 LEU 38 2.102 -9.842 1.122 292 HD23 LEU 38 2HD2 LEU 38 2.669 -10.333 2.719 293 H GLU 39 HN GLU 39 1.828 -13.628 0.081 294 HA GLU 39 HA GLU 39 -0.189 -15.747 0.413 295 HB2 GLU 39 2HB GLU 39 0.410 -15.311 -1.956 296 HB3 GLU 39 1HB GLU 39 2.096 -15.616 -1.579 297 HG2 GLU 39 2HG GLU 39 0.109 -17.749 -0.995 298 HG3 GLU 39 1HG GLU 39 0.559 -17.454 -2.671 299 H GLY 40 HN GLY 40 0.394 -17.476 1.673 300 HA2 GLY 40 2HA GLY 40 2.848 -18.606 1.987 301 HA3 GLY 40 1HA GLY 40 2.869 -17.276 3.133 302 HA PRO 41 HA PRO 41 1.411 -20.982 5.473 303 HB2 PRO 41 2HB PRO 41 2.262 -19.802 7.844 304 HB3 PRO 41 1HB PRO 41 3.191 -20.950 6.877 305 HG2 PRO 41 2HG PRO 41 3.348 -17.971 6.955 306 HG3 PRO 41 1HG PRO 41 4.652 -19.164 6.801 307 HD2 PRO 41 2HD PRO 41 3.779 -17.785 4.684 308 HD3 PRO 41 1HD PRO 41 4.260 -19.488 4.541 309 H ARG 42 HN ARG 42 -0.701 -20.932 5.656 310 HA ARG 42 HA ARG 42 -2.407 -18.850 6.094 311 HB2 ARG 42 2HB ARG 42 -4.007 -20.597 7.026 312 HB3 ARG 42 1HB ARG 42 -3.370 -20.868 5.415 313 HG2 ARG 42 2HG ARG 42 -3.279 -22.962 6.413 314 HG3 ARG 42 1HG ARG 42 -1.627 -22.361 6.554 315 HD2 ARG 42 2HD ARG 42 -2.342 -23.425 8.622 316 HD3 ARG 42 1HD ARG 42 -2.068 -21.703 8.873 317 HE ARG 42 HE ARG 42 -4.809 -22.421 8.288 318 HH11 ARG 42 1HH1 ARG 42 -2.404 -21.968 10.803 319 HH12 ARG 42 2HH1 ARG 42 -3.573 -21.630 12.041 320 HH21 ARG 42 1HH2 ARG 42 -6.351 -22.049 9.939 321 HH22 ARG 42 2HH2 ARG 42 -5.809 -21.718 11.558 322 H GLY 43 HN GLY 43 -0.514 -20.480 8.543 323 HA2 GLY 43 2HA GLY 43 -1.989 -19.793 10.829 324 HA3 GLY 43 1HA GLY 43 -0.256 -20.083 10.788 325 H VAL 44 HN VAL 44 0.696 -18.049 9.280 326 HA VAL 44 HA VAL 44 0.701 -15.886 11.101 327 HB VAL 44 HB VAL 44 1.626 -15.886 8.219 328 HG11 VAL 44 1HG1 VAL 44 3.101 -14.059 8.926 329 HG12 VAL 44 2HG1 VAL 44 2.381 -14.100 10.534 330 HG13 VAL 44 3HG1 VAL 44 1.402 -13.640 9.143 331 HG21 VAL 44 3HG2 VAL 44 2.695 -17.678 9.454 332 HG22 VAL 44 1HG2 VAL 44 3.138 -16.556 10.739 333 HG23 VAL 44 2HG2 VAL 44 3.852 -16.385 9.137 334 H LEU 45 HN LEU 45 -0.952 -16.465 8.051 335 HA LEU 45 HA LEU 45 -2.012 -13.870 7.719 336 HB2 LEU 45 2HB LEU 45 -3.041 -16.517 6.698 337 HB3 LEU 45 1HB LEU 45 -3.552 -14.943 6.120 338 HG LEU 45 HG LEU 45 -0.762 -16.067 5.888 339 HD11 LEU 45 1HD1 LEU 45 -1.251 -16.220 3.509 340 HD12 LEU 45 2HD1 LEU 45 -2.898 -15.666 3.804 341 HD13 LEU 45 3HD1 LEU 45 -2.359 -17.214 4.452 342 HD21 LEU 45 3HD2 LEU 45 -1.970 -13.510 4.843 343 HD22 LEU 45 1HD2 LEU 45 -0.370 -14.123 4.426 344 HD23 LEU 45 2HD2 LEU 45 -0.729 -13.653 6.087 345 H THR 46 HN THR 46 -3.135 -16.701 9.465 346 HA THR 46 HA THR 46 -5.759 -15.785 9.995 347 HB THR 46 HB THR 46 -4.056 -17.659 11.665 348 HG1 THR 46 1HG THR 46 -4.333 -18.371 9.485 349 HG21 THR 46 3HG2 THR 46 -6.209 -18.541 12.455 350 HG22 THR 46 1HG2 THR 46 -7.056 -17.306 11.528 351 HG23 THR 46 2HG2 THR 46 -6.019 -16.839 12.876 352 H VAL 47 HN VAL 47 -2.716 -15.528 11.810 353 HA VAL 47 HA VAL 47 -3.735 -14.128 14.027 354 HB VAL 47 HB VAL 47 -0.964 -13.949 12.824 355 HG11 VAL 47 1HG1 VAL 47 -1.400 -12.133 14.379 356 HG12 VAL 47 2HG1 VAL 47 -0.262 -13.281 15.080 357 HG13 VAL 47 3HG1 VAL 47 -1.949 -13.283 15.597 358 HG21 VAL 47 3HG2 VAL 47 -0.356 -15.660 14.472 359 HG22 VAL 47 1HG2 VAL 47 -1.567 -16.248 13.333 360 HG23 VAL 47 2HG2 VAL 47 -2.045 -15.777 14.964 361 H PHE 48 HN PHE 48 -2.381 -13.020 10.951 362 HA PHE 48 HA PHE 48 -2.506 -10.254 11.526 363 HB2 PHE 48 2HB PHE 48 -1.111 -11.294 9.737 364 HB3 PHE 48 1HB PHE 48 -2.578 -11.601 8.818 365 HD1 PHE 48 2HD PHE 48 -0.450 -8.928 10.220 366 HD2 PHE 48 1HD PHE 48 -3.540 -9.937 7.473 367 HE1 PHE 48 2HE PHE 48 -0.272 -6.691 9.210 368 HE2 PHE 48 1HE PHE 48 -3.369 -7.704 6.455 369 HZ PHE 48 HZ PHE 48 -1.736 -6.077 7.324 370 H ARG 49 HN ARG 49 -4.854 -12.553 10.368 371 HA ARG 49 HA ARG 49 -6.697 -10.703 9.279 372 HB2 ARG 49 2HB ARG 49 -6.522 -13.546 9.742 373 HB3 ARG 49 1HB ARG 49 -8.126 -12.947 10.116 374 HG2 ARG 49 2HG ARG 49 -6.651 -12.625 7.514 375 HG3 ARG 49 1HG ARG 49 -8.026 -13.683 7.827 376 HD2 ARG 49 2HD ARG 49 -7.975 -10.673 7.786 377 HD3 ARG 49 1HD ARG 49 -8.858 -11.751 6.706 378 HE ARG 49 HE ARG 49 -9.507 -11.259 9.540 379 HH11 ARG 49 1HH1 ARG 49 -10.417 -12.355 6.333 380 HH12 ARG 49 2HH1 ARG 49 -12.113 -12.470 6.718 381 HH21 ARG 49 1HH2 ARG 49 -11.729 -11.451 10.056 382 HH22 ARG 49 2HH2 ARG 49 -12.853 -11.998 8.846 383 H PHE 50 HN PHE 50 -5.898 -11.491 12.499 384 HA PHE 50 HA PHE 50 -8.456 -10.550 13.543 385 HB2 PHE 50 2HB PHE 50 -6.065 -11.910 14.703 386 HB3 PHE 50 1HB PHE 50 -7.114 -10.983 15.756 387 HD1 PHE 50 2HD PHE 50 -9.542 -11.615 15.920 388 HD2 PHE 50 1HD PHE 50 -6.655 -14.059 13.967 389 HE1 PHE 50 2HE PHE 50 -11.068 -13.538 16.078 390 HE2 PHE 50 1HE PHE 50 -8.177 -15.986 14.120 391 HZ PHE 50 HZ PHE 50 -10.390 -15.728 15.176 392 H ALA 51 HN ALA 51 -5.376 -9.405 12.769 393 HA ALA 51 HA ALA 51 -5.426 -7.230 14.690 394 HB1 ALA 51 1HB ALA 51 -3.309 -8.366 14.248 395 HB2 ALA 51 2HB ALA 51 -3.228 -6.660 13.807 396 HB3 ALA 51 3HB ALA 51 -3.405 -7.887 12.551 397 H ARG 52 HN ARG 52 -6.130 -5.250 14.263 398 HA ARG 52 HA ARG 52 -7.295 -4.563 11.779 399 HB2 ARG 52 2HB ARG 52 -6.689 -3.091 14.317 400 HB3 ARG 52 1HB ARG 52 -7.331 -2.256 12.920 401 HG2 ARG 52 2HG ARG 52 -9.323 -3.576 12.949 402 HG3 ARG 52 1HG ARG 52 -8.652 -4.632 14.197 403 HD2 ARG 52 2HD ARG 52 -9.191 -1.685 14.543 404 HD3 ARG 52 1HD ARG 52 -10.275 -2.972 15.073 405 HE ARG 52 HE ARG 52 -7.976 -3.651 16.281 406 HH11 ARG 52 1HH1 ARG 52 -9.662 -0.581 16.069 407 HH12 ARG 52 2HH1 ARG 52 -9.136 -0.048 17.636 408 HH21 ARG 52 1HH2 ARG 52 -7.302 -2.953 18.354 409 HH22 ARG 52 2HH2 ARG 52 -7.820 -1.396 18.943 410 HA PRO 53 HA PRO 53 -4.127 -3.040 9.244 411 HB2 PRO 53 2HB PRO 53 -5.453 -0.393 9.138 412 HB3 PRO 53 1HB PRO 53 -4.985 -1.468 7.821 413 HG2 PRO 53 2HG PRO 53 -7.539 -1.231 8.559 414 HG3 PRO 53 1HG PRO 53 -6.868 -2.786 8.036 415 HD2 PRO 53 2HD PRO 53 -7.542 -1.836 10.778 416 HD3 PRO 53 1HD PRO 53 -7.636 -3.470 10.092 417 H SER 54 HN SER 54 -2.182 -2.458 9.742 418 HA SER 54 HA SER 54 -1.643 0.048 11.133 419 HB2 SER 54 2HB SER 54 -1.698 -1.820 12.815 420 HB3 SER 54 1HB SER 54 -0.351 -2.545 11.954 421 HG SER 54 HG SER 54 0.857 -0.648 12.388 422 H TYR 55 HN TYR 55 -1.403 -1.420 8.486 423 HA TYR 55 HA TYR 55 1.483 -1.343 8.031 424 HB2 TYR 55 2HB TYR 55 0.777 -2.379 5.786 425 HB3 TYR 55 1HB TYR 55 0.579 -3.372 7.227 426 HD1 TYR 55 2HD TYR 55 -1.263 -1.221 4.822 427 HD2 TYR 55 1HD TYR 55 -1.536 -4.202 7.845 428 HE1 TYR 55 2HE TYR 55 -3.641 -1.536 4.289 429 HE2 TYR 55 1HE TYR 55 -3.916 -4.522 7.321 430 HH TYR 55 HH TYR 55 -5.408 -3.013 4.538 431 H GLU 56 HN GLU 56 2.402 -0.049 6.433 432 HA GLU 56 HA GLU 56 0.664 1.842 5.033 433 HB2 GLU 56 2HB GLU 56 2.950 2.646 6.836 434 HB3 GLU 56 1HB GLU 56 2.227 3.722 5.651 435 HG2 GLU 56 2HG GLU 56 0.074 3.536 6.789 436 HG3 GLU 56 1HG GLU 56 0.796 2.453 7.976 437 H VAL 57 HN VAL 57 1.723 2.985 3.311 438 HA VAL 57 HA VAL 57 4.133 1.632 2.281 439 HB VAL 57 HB VAL 57 1.806 2.791 0.728 440 HG11 VAL 57 1HG1 VAL 57 2.968 2.056 -1.285 441 HG12 VAL 57 2HG1 VAL 57 4.343 1.535 -0.311 442 HG13 VAL 57 3HG1 VAL 57 3.928 3.247 -0.405 443 HG21 VAL 57 3HG2 VAL 57 1.484 0.500 -0.055 444 HG22 VAL 57 1HG2 VAL 57 1.347 0.601 1.700 445 HG23 VAL 57 2HG2 VAL 57 2.817 -0.039 0.964 446 H PHE 58 HN PHE 58 5.858 2.947 1.945 447 HA PHE 58 HA PHE 58 5.412 5.834 1.805 448 HB2 PHE 58 2HB PHE 58 5.597 5.363 4.176 449 HB3 PHE 58 1HB PHE 58 7.060 4.425 3.915 450 HD1 PHE 58 2HD PHE 58 5.645 7.834 3.781 451 HD2 PHE 58 1HD PHE 58 9.165 5.445 3.876 452 HE1 PHE 58 2HE PHE 58 7.000 9.850 4.157 453 HE2 PHE 58 1HE PHE 58 10.525 7.459 4.254 454 HZ PHE 58 HZ PHE 58 9.442 9.662 4.394 455 H VAL 59 HN VAL 59 7.045 6.996 0.851 456 HA VAL 59 HA VAL 59 9.561 5.669 0.183 457 HB VAL 59 HB VAL 59 9.495 6.681 -2.124 458 HG11 VAL 59 1HG1 VAL 59 7.415 4.572 -1.560 459 HG12 VAL 59 2HG1 VAL 59 9.145 4.288 -1.762 460 HG13 VAL 59 3HG1 VAL 59 8.185 4.888 -3.116 461 HG21 VAL 59 3HG2 VAL 59 6.562 6.991 -1.495 462 HG22 VAL 59 1HG2 VAL 59 7.289 7.176 -3.092 463 HG23 VAL 59 2HG2 VAL 59 7.715 8.293 -1.791 464 H ASP 60 HN ASP 60 11.278 6.991 0.411 465 HA ASP 60 HA ASP 60 10.723 9.820 0.984 466 HB2 ASP 60 2HB ASP 60 11.885 8.588 2.793 467 HB3 ASP 60 1HB ASP 60 13.191 8.201 1.675 468 H LEU 61 HN LEU 61 11.211 11.230 -0.530 469 HA LEU 61 HA LEU 61 13.305 10.546 -2.483 470 HB2 LEU 61 2HB LEU 61 10.598 11.776 -3.003 471 HB3 LEU 61 1HB LEU 61 11.882 11.688 -4.197 472 HG LEU 61 HG LEU 61 10.682 9.263 -2.867 473 HD11 LEU 61 1HD1 LEU 61 8.975 10.438 -4.162 474 HD12 LEU 61 2HD1 LEU 61 9.428 8.907 -4.912 475 HD13 LEU 61 3HD1 LEU 61 10.037 10.427 -5.570 476 HD21 LEU 61 3HD2 LEU 61 12.414 9.577 -5.313 477 HD22 LEU 61 1HD2 LEU 61 11.740 8.062 -4.710 478 HD23 LEU 61 2HD2 LEU 61 12.929 8.944 -3.750 479 H THR 62 HN THR 62 13.674 12.049 -0.164 480 HA THR 62 HA THR 62 13.315 14.835 -0.580 481 HB THR 62 HB THR 62 14.959 15.043 1.343 482 HG1 THR 62 1HG THR 62 14.637 12.210 1.543 483 HG21 THR 62 3HG2 THR 62 12.565 13.250 1.736 484 HG22 THR 62 1HG2 THR 62 12.527 15.009 1.654 485 HG23 THR 62 2HG2 THR 62 13.357 14.208 2.985 486 H GLU 63 HN GLU 63 15.679 12.603 -1.689 487 HA GLU 63 HA GLU 63 17.545 14.770 -2.317 488 HB2 GLU 63 2HB GLU 63 17.894 11.792 -2.615 489 HB3 GLU 63 1HB GLU 63 19.133 12.997 -2.879 490 HG2 GLU 63 2HG GLU 63 18.459 13.615 -0.396 491 HG3 GLU 63 1HG GLU 63 18.028 11.916 -0.390 492 H ALA 64 HN ALA 64 14.886 13.603 -3.649 493 HA ALA 64 HA ALA 64 15.828 13.347 -6.382 494 HB1 ALA 64 1HB ALA 64 13.008 13.416 -5.312 495 HB2 ALA 64 2HB ALA 64 13.957 11.960 -5.609 496 HB3 ALA 64 3HB ALA 64 13.491 12.998 -6.956 497 H GLY 65 HN GLY 65 14.935 14.762 -8.091 498 HA2 GLY 65 2HA GLY 65 14.605 17.509 -7.077 499 HA3 GLY 65 1HA GLY 65 15.694 17.135 -8.398 500 H GLU 66 HN GLU 66 14.836 18.110 -10.085 501 HA GLU 66 HA GLU 66 12.006 18.476 -10.389 502 HB2 GLU 66 2HB GLU 66 13.752 18.946 -12.731 503 HB3 GLU 66 1HB GLU 66 12.531 19.984 -12.017 504 HG2 GLU 66 2HG GLU 66 14.441 21.184 -11.620 505 HG3 GLU 66 1HG GLU 66 14.283 20.282 -10.114 506 H GLY 67 HN GLY 67 10.631 17.525 -11.853 507 HA2 GLY 67 2HA GLY 67 10.062 16.188 -13.702 508 HA3 GLY 67 1HA GLY 67 11.696 15.538 -13.708 509 H SER 68 HN SER 68 9.772 13.759 -14.003 510 HA SER 68 HA SER 68 8.940 12.673 -11.473 511 HB2 SER 68 2HB SER 68 7.591 12.411 -13.536 512 HB3 SER 68 1HB SER 68 8.846 11.367 -14.200 513 HG SER 68 HG SER 68 6.824 10.657 -12.700 514 H HIS 69 HN HIS 69 9.751 11.044 -10.380 515 HA HIS 69 HA HIS 69 12.267 9.829 -11.320 516 HB2 HIS 69 2HB HIS 69 12.620 11.632 -9.591 517 HB3 HIS 69 1HB HIS 69 11.675 10.666 -8.467 518 HD1 HIS 69 1HD HIS 69 15.048 10.941 -10.020 519 HD2 HIS 69 2HD HIS 69 12.981 8.363 -7.491 520 HE1 HIS 69 1HE HIS 69 16.786 9.443 -9.005 521 HE2 HIS 69 2HE HIS 69 15.546 8.062 -7.303 522 H THR 70 HN THR 70 12.445 7.635 -10.982 523 HA THR 70 HA THR 70 10.032 6.362 -9.854 524 HB THR 70 HB THR 70 11.829 5.139 -11.943 525 HG1 THR 70 1HG THR 70 10.320 7.288 -12.256 526 HG21 THR 70 3HG2 THR 70 9.817 3.820 -12.452 527 HG22 THR 70 1HG2 THR 70 8.953 4.651 -11.157 528 HG23 THR 70 2HG2 THR 70 10.328 3.610 -10.777 529 H VAL 71 HN VAL 71 10.314 5.032 -8.174 530 HA VAL 71 HA VAL 71 12.908 3.727 -7.763 531 HB VAL 71 HB VAL 71 12.734 4.180 -5.296 532 HG11 VAL 71 1HG1 VAL 71 13.682 6.438 -5.425 533 HG12 VAL 71 2HG1 VAL 71 13.108 6.573 -7.088 534 HG13 VAL 71 3HG1 VAL 71 14.332 5.373 -6.673 535 HG21 VAL 71 3HG2 VAL 71 11.403 6.129 -4.589 536 HG22 VAL 71 1HG2 VAL 71 10.396 4.807 -5.180 537 HG23 VAL 71 2HG2 VAL 71 10.696 6.211 -6.205 538 H ASP 72 HN ASP 72 12.752 2.030 -6.028 539 HA ASP 72 HA ASP 72 10.454 0.368 -6.487 540 HB2 ASP 72 2HB ASP 72 12.865 0.073 -4.694 541 HB3 ASP 72 1HB ASP 72 11.596 -1.141 -4.799 542 H VAL 73 HN VAL 73 8.880 -0.245 -5.010 543 HA VAL 73 HA VAL 73 8.481 1.694 -2.843 544 HB VAL 73 HB VAL 73 6.509 -0.156 -4.194 545 HG11 VAL 73 1HG1 VAL 73 5.917 0.272 -1.861 546 HG12 VAL 73 2HG1 VAL 73 4.785 1.040 -2.977 547 HG13 VAL 73 3HG1 VAL 73 6.012 2.009 -2.160 548 HG21 VAL 73 3HG2 VAL 73 7.226 1.611 -5.666 549 HG22 VAL 73 1HG2 VAL 73 6.930 2.820 -4.416 550 HG23 VAL 73 2HG2 VAL 73 5.579 1.930 -5.124 551 H GLU 74 HN GLU 74 9.047 1.040 -0.894 552 HA GLU 74 HA GLU 74 8.915 -1.779 -0.170 553 HB2 GLU 74 2HB GLU 74 10.258 0.632 0.940 554 HB3 GLU 74 1HB GLU 74 9.827 -0.647 2.066 555 HG2 GLU 74 2HG GLU 74 11.381 -1.189 -0.439 556 HG3 GLU 74 1HG GLU 74 12.159 -0.695 1.063 557 H HIS 75 HN HIS 75 7.804 -2.503 1.695 558 HA HIS 75 HA HIS 75 5.550 -0.763 2.480 559 HB2 HIS 75 2HB HIS 75 5.536 -3.784 2.210 560 HB3 HIS 75 1HB HIS 75 4.165 -2.777 2.661 561 HD1 HIS 75 1HD HIS 75 2.692 -2.041 0.793 562 HD2 HIS 75 2HD HIS 75 6.417 -3.287 -0.562 563 HE1 HIS 75 1HE HIS 75 2.543 -2.011 -1.718 564 HE2 HIS 75 2HE HIS 75 4.860 -2.605 -2.505 565 H ARG 76 HN ARG 76 4.857 -0.946 4.687 566 HA ARG 76 HA ARG 76 6.685 -2.442 6.428 567 HB2 ARG 76 2HB ARG 76 7.224 0.108 6.111 568 HB3 ARG 76 1HB ARG 76 5.868 0.335 7.207 569 HG2 ARG 76 2HG ARG 76 7.602 0.292 8.689 570 HG3 ARG 76 1HG ARG 76 7.166 -1.416 8.671 571 HD2 ARG 76 2HD ARG 76 9.461 -0.054 7.285 572 HD3 ARG 76 1HD ARG 76 9.524 -1.338 8.490 573 HE ARG 76 HE ARG 76 8.210 -2.023 5.994 574 HH11 ARG 76 1HH1 ARG 76 11.177 -2.089 7.851 575 HH12 ARG 76 2HH1 ARG 76 11.922 -3.304 6.859 576 HH21 ARG 76 1HH2 ARG 76 9.181 -3.592 4.675 577 HH22 ARG 76 2HH2 ARG 76 10.785 -4.156 5.036 578 H GLY 77 HN GLY 77 5.806 -3.176 8.325 579 HA2 GLY 77 2HA GLY 77 3.910 -2.689 9.977 580 HA3 GLY 77 1HA GLY 77 2.878 -2.878 8.562 581 H PHE 78 HN PHE 78 3.711 -4.962 7.271 582 HA PHE 78 HA PHE 78 3.551 -7.186 9.163 583 HB2 PHE 78 2HB PHE 78 3.015 -8.542 7.125 584 HB3 PHE 78 1HB PHE 78 1.864 -7.244 7.427 585 HD1 PHE 78 2HD PHE 78 1.779 -5.299 5.966 586 HD2 PHE 78 1HD PHE 78 4.464 -8.511 5.197 587 HE1 PHE 78 2HE PHE 78 2.122 -4.459 3.679 588 HE2 PHE 78 1HE PHE 78 4.813 -7.672 2.910 589 HZ PHE 78 HZ PHE 78 3.644 -5.645 2.146 590 HA PRO 79 HA PRO 79 7.799 -8.262 8.405 591 HB2 PRO 79 2HB PRO 79 7.122 -11.089 8.745 592 HB3 PRO 79 1HB PRO 79 8.098 -10.045 9.782 593 HG2 PRO 79 2HG PRO 79 5.656 -10.946 10.515 594 HG3 PRO 79 1HG PRO 79 6.288 -9.373 11.035 595 HD2 PRO 79 2HD PRO 79 4.321 -10.005 8.862 596 HD3 PRO 79 1HD PRO 79 4.308 -8.678 10.045 597 H GLY 80 HN GLY 80 8.927 -8.632 6.581 598 HA2 GLY 80 2HA GLY 80 7.525 -9.559 4.238 599 HA3 GLY 80 1HA GLY 80 9.181 -8.976 4.306 600 H ASP 81 HN ASP 81 7.598 -11.643 6.021 601 HA ASP 81 HA ASP 81 9.721 -13.422 5.054 602 HB2 ASP 81 2HB ASP 81 9.206 -13.145 7.542 603 HB3 ASP 81 1HB ASP 81 7.723 -14.029 7.219 604 H LEU 82 HN LEU 82 6.509 -12.616 4.604 605 HA LEU 82 HA LEU 82 5.674 -15.193 3.548 606 HB2 LEU 82 2HB LEU 82 4.253 -12.525 3.515 607 HB3 LEU 82 1HB LEU 82 3.545 -14.077 3.120 608 HG LEU 82 HG LEU 82 4.569 -13.287 5.852 609 HD11 LEU 82 1HD1 LEU 82 2.211 -13.216 6.483 610 HD12 LEU 82 2HD1 LEU 82 1.753 -13.518 4.808 611 HD13 LEU 82 3HD1 LEU 82 2.584 -12.024 5.240 612 HD21 LEU 82 3HD2 LEU 82 3.006 -15.708 4.964 613 HD22 LEU 82 1HD2 LEU 82 3.498 -15.328 6.613 614 HD23 LEU 82 2HD2 LEU 82 4.717 -15.696 5.392 615 H ALA 83 HN ALA 83 4.515 -14.992 1.294 616 HA ALA 83 HA ALA 83 6.429 -13.834 -0.561 617 HB1 ALA 83 1HB ALA 83 5.565 -16.086 -0.995 618 HB2 ALA 83 2HB ALA 83 5.135 -14.974 -2.295 619 HB3 ALA 83 3HB ALA 83 3.927 -15.439 -1.098 620 H VAL 84 HN VAL 84 6.229 -11.763 -1.055 621 HA VAL 84 HA VAL 84 3.626 -10.481 -0.771 622 HB VAL 84 HB VAL 84 6.317 -9.210 -1.298 623 HG11 VAL 84 1HG1 VAL 84 3.683 -8.014 -0.437 624 HG12 VAL 84 2HG1 VAL 84 4.479 -7.798 -1.997 625 HG13 VAL 84 3HG1 VAL 84 5.217 -7.144 -0.533 626 HG21 VAL 84 3HG2 VAL 84 6.330 -8.629 1.077 627 HG22 VAL 84 1HG2 VAL 84 6.297 -10.379 0.848 628 HG23 VAL 84 2HG2 VAL 84 4.826 -9.521 1.308 629 H THR 85 HN THR 85 2.373 -10.521 -2.506 630 HA THR 85 HA THR 85 3.544 -10.399 -5.183 631 HB THR 85 HB THR 85 0.612 -10.565 -4.519 632 HG1 THR 85 1HG THR 85 0.998 -12.511 -3.767 633 HG21 THR 85 3HG2 THR 85 2.236 -11.455 -6.904 634 HG22 THR 85 1HG2 THR 85 1.156 -10.062 -6.838 635 HG23 THR 85 2HG2 THR 85 0.500 -11.696 -6.710 636 H VAL 86 HN VAL 86 3.395 -8.600 -6.446 637 HA VAL 86 HA VAL 86 2.039 -6.269 -5.296 638 HB VAL 86 HB VAL 86 4.854 -6.159 -6.360 639 HG11 VAL 86 1HG1 VAL 86 4.897 -3.933 -5.370 640 HG12 VAL 86 2HG1 VAL 86 3.225 -4.136 -4.840 641 HG13 VAL 86 3HG1 VAL 86 3.605 -4.083 -6.561 642 HG21 VAL 86 3HG2 VAL 86 5.597 -5.870 -4.041 643 HG22 VAL 86 1HG2 VAL 86 4.862 -7.453 -4.305 644 HG23 VAL 86 2HG2 VAL 86 3.953 -6.183 -3.483 645 H GLU 87 HN GLU 87 1.171 -4.891 -6.711 646 HA GLU 87 HA GLU 87 1.674 -5.279 -9.596 647 HB2 GLU 87 2HB GLU 87 -0.741 -5.141 -8.344 648 HB3 GLU 87 1HB GLU 87 -0.450 -3.425 -8.588 649 HG2 GLU 87 2HG GLU 87 -1.792 -4.334 -10.377 650 HG3 GLU 87 1HG GLU 87 -0.229 -3.798 -10.985 651 HA PRO 88 HA PRO 88 4.468 -3.031 -10.737 652 HB2 PRO 88 2HB PRO 88 3.612 -0.226 -10.441 653 HB3 PRO 88 1HB PRO 88 4.285 -1.054 -11.846 654 HG2 PRO 88 2HG PRO 88 1.490 -0.642 -11.134 655 HG3 PRO 88 1HG PRO 88 2.170 -1.237 -12.661 656 HD2 PRO 88 2HD PRO 88 0.728 -2.835 -11.024 657 HD3 PRO 88 1HD PRO 88 2.111 -3.462 -11.954 658 H ARG 89 HN ARG 89 6.238 -2.859 -9.612 659 HA ARG 89 HA ARG 89 5.951 -2.371 -6.759 660 HB2 ARG 89 2HB ARG 89 8.464 -3.328 -8.066 661 HB3 ARG 89 1HB ARG 89 7.852 -3.681 -6.455 662 HG2 ARG 89 2HG ARG 89 6.012 -4.972 -7.533 663 HG3 ARG 89 1HG ARG 89 6.855 -4.761 -9.069 664 HD2 ARG 89 2HD ARG 89 8.893 -5.666 -7.693 665 HD3 ARG 89 1HD ARG 89 7.625 -6.365 -6.688 666 HE ARG 89 HE ARG 89 6.811 -7.185 -9.055 667 HH11 ARG 89 1HH1 ARG 89 10.049 -7.093 -7.738 668 HH12 ARG 89 2HH1 ARG 89 10.608 -8.449 -8.660 669 HH21 ARG 89 1HH2 ARG 89 7.555 -8.970 -10.303 670 HH22 ARG 89 2HH2 ARG 89 9.199 -9.503 -10.136 671 H MET 90 HN MET 90 7.054 -0.802 -9.489 672 HA MET 90 HA MET 90 8.721 1.001 -7.877 673 HB2 MET 90 2HB MET 90 8.716 0.502 -10.859 674 HB3 MET 90 1HB MET 90 9.665 1.753 -10.064 675 HG2 MET 90 2HG MET 90 10.855 0.048 -8.789 676 HG3 MET 90 1HG MET 90 9.904 -1.207 -9.582 677 HE1 MET 90 3HE MET 90 12.891 1.538 -11.785 678 HE2 MET 90 1HE MET 90 12.536 1.648 -10.060 679 HE3 MET 90 2HE MET 90 11.303 2.083 -11.243 680 H ALA 91 HN ALA 91 8.186 3.113 -7.734 681 HA ALA 91 HA ALA 91 5.680 3.898 -9.079 682 HB1 ALA 91 1HB ALA 91 6.618 4.693 -6.324 683 HB2 ALA 91 2HB ALA 91 5.362 3.506 -6.676 684 HB3 ALA 91 3HB ALA 91 5.119 5.202 -7.098 685 H ARG 92 HN ARG 92 5.560 5.915 -9.933 686 HA ARG 92 HA ARG 92 8.100 7.371 -10.016 687 HB2 ARG 92 2HB ARG 92 7.771 7.838 -12.224 688 HB3 ARG 92 1HB ARG 92 6.855 6.348 -12.137 689 HG2 ARG 92 2HG ARG 92 5.684 9.121 -12.000 690 HG3 ARG 92 1HG ARG 92 5.721 8.094 -13.429 691 HD2 ARG 92 2HD ARG 92 4.336 7.403 -10.842 692 HD3 ARG 92 1HD ARG 92 3.541 8.105 -12.247 693 HE ARG 92 HE ARG 92 4.944 5.579 -12.638 694 HH11 ARG 92 1HH1 ARG 92 1.923 7.285 -12.176 695 HH12 ARG 92 2HH1 ARG 92 0.939 5.950 -12.707 696 HH21 ARG 92 1HH2 ARG 92 3.658 3.824 -13.350 697 HH22 ARG 92 2HH2 ARG 92 1.928 3.993 -13.376 698 H VAL 93 HN VAL 93 8.189 9.462 -9.431 699 HA VAL 93 HA VAL 93 5.683 10.870 -8.805 700 HB VAL 93 HB VAL 93 8.099 10.769 -6.977 701 HG11 VAL 93 1HG1 VAL 93 5.469 12.209 -6.648 702 HG12 VAL 93 2HG1 VAL 93 7.027 12.966 -6.995 703 HG13 VAL 93 3HG1 VAL 93 6.767 12.139 -5.456 704 HG21 VAL 93 3HG2 VAL 93 6.731 8.726 -6.888 705 HG22 VAL 93 1HG2 VAL 93 5.311 9.707 -6.534 706 HG23 VAL 93 2HG2 VAL 93 6.646 9.647 -5.387 707 H GLN 94 HN GLN 94 5.658 12.806 -9.736 708 HA GLN 94 HA GLN 94 8.185 13.870 -10.774 709 HB2 GLN 94 2HB GLN 94 6.301 13.577 -12.355 710 HB3 GLN 94 1HB GLN 94 5.338 14.691 -11.395 711 HG2 GLN 94 2HG GLN 94 6.989 16.466 -11.853 712 HG3 GLN 94 1HG GLN 94 7.870 15.346 -12.886 713 HE21 GLN 94 1HE2 GLN 94 6.709 17.852 -13.601 714 HE22 GLN 94 2HE2 GLN 94 5.533 17.531 -14.827 715 H LEU 95 HN LEU 95 9.164 15.449 -9.723 716 HA LEU 95 HA LEU 95 7.580 17.049 -7.829 717 HB2 LEU 95 2HB LEU 95 10.561 16.569 -7.938 718 HB3 LEU 95 1HB LEU 95 9.737 17.559 -6.749 719 HG LEU 95 HG LEU 95 9.302 14.593 -7.104 720 HD11 LEU 95 1HD1 LEU 95 10.872 16.089 -5.015 721 HD12 LEU 95 2HD1 LEU 95 11.548 15.081 -6.295 722 HD13 LEU 95 3HD1 LEU 95 10.555 14.354 -5.031 723 HD21 LEU 95 3HD2 LEU 95 8.351 16.517 -4.982 724 HD22 LEU 95 1HD2 LEU 95 8.130 14.766 -4.956 725 HD23 LEU 95 2HD2 LEU 95 7.351 15.734 -6.206 726 H GLU 96 HN GLU 96 7.159 19.061 -8.345 727 HA GLU 96 HA GLU 96 9.139 20.703 -9.674 728 HB2 GLU 96 2HB GLU 96 7.827 19.756 -11.560 729 HB3 GLU 96 1HB GLU 96 6.361 20.422 -10.848 730 HG2 GLU 96 2HG GLU 96 7.213 22.672 -11.135 731 HG3 GLU 96 1HG GLU 96 8.733 22.035 -11.757 732 H GLU 97 HN GLU 97 8.906 22.865 -9.186 733 HA GLU 97 HA GLU 97 7.690 23.558 -6.791 734 HB2 GLU 97 2HB GLU 97 9.518 24.828 -7.798 735 HB3 GLU 97 1HB GLU 97 8.466 25.330 -9.109 736 HG2 GLU 97 2HG GLU 97 7.119 26.631 -7.602 737 HG3 GLU 97 1HG GLU 97 8.031 26.029 -6.219 738 H ARG 98 HN ARG 98 5.734 24.224 -6.213 739 HA ARG 98 HA ARG 98 3.572 24.880 -6.243 740 HB2 ARG 98 2HB ARG 98 3.994 26.649 -7.684 741 HB3 ARG 98 1HB ARG 98 4.307 25.603 -9.045 742 HG2 ARG 98 2HG ARG 98 1.894 25.024 -9.073 743 HG3 ARG 98 1HG ARG 98 1.643 26.221 -7.797 744 HD2 ARG 98 2HD ARG 98 1.174 27.105 -10.067 745 HD3 ARG 98 1HD ARG 98 2.447 27.987 -9.222 746 HE ARG 98 HE ARG 98 3.350 25.857 -10.972 747 HH11 ARG 98 1HH1 ARG 98 2.689 29.290 -10.648 748 HH12 ARG 98 2HH1 ARG 98 3.726 29.728 -11.979 749 HH21 ARG 98 1HH2 ARG 98 4.705 26.445 -12.699 750 HH22 ARG 98 2HH2 ARG 98 4.850 28.121 -13.147 751 H GLN 99 HN GLN 99 1.597 23.921 -6.542 752 HA GLN 99 HA GLN 99 1.870 21.215 -7.658 753 HB2 GLN 99 2HB GLN 99 1.677 21.613 -5.118 754 HB3 GLN 99 1HB GLN 99 -0.012 21.981 -5.449 755 HG2 GLN 99 2HG GLN 99 -0.067 19.728 -6.642 756 HG3 GLN 99 1HG GLN 99 1.453 19.410 -5.809 757 HE21 GLN 99 1HE2 GLN 99 1.472 19.193 -3.559 758 HE22 GLN 99 2HE2 GLN 99 0.009 18.913 -2.667 759 H THR 100 HN THR 100 0.042 20.186 -8.533 760 HA THR 100 HA THR 100 -2.499 21.503 -8.650 761 HB THR 100 HB THR 100 -1.552 22.611 -10.559 762 HG1 THR 100 1HG THR 100 -3.486 22.246 -11.312 763 HG21 THR 100 3HG2 THR 100 0.317 21.111 -11.039 764 HG22 THR 100 1HG2 THR 100 -0.633 21.428 -12.492 765 HG23 THR 100 2HG2 THR 100 -0.808 19.893 -11.642 766 H VAL 101 HN VAL 101 -3.398 19.761 -7.643 767 HA VAL 101 HA VAL 101 -3.220 17.180 -9.052 768 HB VAL 101 HB VAL 101 -2.904 17.583 -6.073 769 HG11 VAL 101 1HG1 VAL 101 -3.091 15.029 -7.669 770 HG12 VAL 101 2HG1 VAL 101 -4.256 15.618 -6.482 771 HG13 VAL 101 3HG1 VAL 101 -2.640 15.135 -5.966 772 HG21 VAL 101 3HG2 VAL 101 -0.999 16.456 -8.126 773 HG22 VAL 101 1HG2 VAL 101 -0.707 16.565 -6.388 774 HG23 VAL 101 2HG2 VAL 101 -0.869 18.036 -7.349 775 H SER 102 HN SER 102 -5.243 17.024 -9.801 776 HA SER 102 HA SER 102 -7.396 17.011 -7.784 777 HB2 SER 102 2HB SER 102 -8.926 17.349 -9.810 778 HB3 SER 102 1HB SER 102 -7.939 18.732 -9.341 779 HG SER 102 HG SER 102 -7.638 18.586 -11.484 780 H VAL 103 HN VAL 103 -5.409 14.954 -8.778 781 HA VAL 103 HA VAL 103 -7.003 12.983 -10.147 782 HB VAL 103 HB VAL 103 -5.089 11.501 -9.920 783 HG11 VAL 103 1HG1 VAL 103 -5.054 13.116 -11.731 784 HG12 VAL 103 2HG1 VAL 103 -3.418 12.821 -11.136 785 HG13 VAL 103 3HG1 VAL 103 -4.271 14.298 -10.681 786 HG21 VAL 103 3HG2 VAL 103 -3.028 12.221 -8.790 787 HG22 VAL 103 1HG2 VAL 103 -4.379 12.070 -7.665 788 HG23 VAL 103 2HG2 VAL 103 -3.863 13.664 -8.213 789 HA PRO 104 HA PRO 104 -8.607 11.118 -6.465 790 HB2 PRO 104 2HB PRO 104 -9.618 8.876 -7.501 791 HB3 PRO 104 1HB PRO 104 -10.283 10.457 -7.926 792 HG2 PRO 104 2HG PRO 104 -8.429 8.705 -9.478 793 HG3 PRO 104 1HG PRO 104 -9.794 9.678 -10.050 794 HD2 PRO 104 2HD PRO 104 -7.132 10.439 -10.189 795 HD3 PRO 104 1HD PRO 104 -8.516 11.547 -10.259 796 H VAL 105 HN VAL 105 -8.419 9.169 -5.139 797 HA VAL 105 HA VAL 105 -5.865 7.773 -5.552 798 HB VAL 105 HB VAL 105 -7.562 7.844 -3.047 799 HG11 VAL 105 1HG1 VAL 105 -4.708 6.976 -3.489 800 HG12 VAL 105 2HG1 VAL 105 -6.082 5.907 -3.213 801 HG13 VAL 105 3HG1 VAL 105 -5.550 7.006 -1.941 802 HG21 VAL 105 3HG2 VAL 105 -5.129 9.484 -3.751 803 HG22 VAL 105 1HG2 VAL 105 -5.923 9.453 -2.178 804 HG23 VAL 105 2HG2 VAL 105 -6.780 10.085 -3.581 805 H THR 106 HN THR 106 -5.799 5.534 -5.636 806 HA THR 106 HA THR 106 -6.501 3.379 -5.787 807 HB THR 106 HB THR 106 -9.224 4.430 -4.996 808 HG1 THR 106 1HG THR 106 -6.992 3.470 -3.601 809 HG21 THR 106 3HG2 THR 106 -9.797 2.092 -4.549 810 HG22 THR 106 1HG2 THR 106 -8.239 1.579 -5.198 811 HG23 THR 106 2HG2 THR 106 -9.429 2.344 -6.254 812 H VAL 107 HN VAL 107 -6.643 2.402 -7.659 813 HA VAL 107 HA VAL 107 -8.271 3.651 -9.788 814 HB VAL 107 HB VAL 107 -5.806 3.584 -10.189 815 HG11 VAL 107 1HG1 VAL 107 -5.287 1.509 -9.034 816 HG12 VAL 107 2HG1 VAL 107 -4.731 1.449 -10.707 817 HG13 VAL 107 3HG1 VAL 107 -6.200 0.595 -10.234 818 HG21 VAL 107 3HG2 VAL 107 -7.466 1.917 -12.075 819 HG22 VAL 107 1HG2 VAL 107 -5.921 2.670 -12.467 820 HG23 VAL 107 2HG2 VAL 107 -7.318 3.673 -12.084 821 H GLU 108 HN GLU 108 -7.875 0.997 -7.789 822 HA GLU 108 HA GLU 108 -9.134 -0.806 -7.365 823 HB2 GLU 108 2HB GLU 108 -11.066 0.554 -8.236 824 HB3 GLU 108 1HB GLU 108 -10.807 -0.216 -9.797 825 HG2 GLU 108 2HG GLU 108 -11.470 -2.296 -9.034 826 HG3 GLU 108 1HG GLU 108 -11.195 -1.874 -7.343 827 H MET 109 HN MET 109 -7.466 -2.114 -7.676 828 HA MET 109 HA MET 109 -6.977 -3.292 -10.289 829 HB2 MET 109 2HB MET 109 -5.207 -4.577 -8.925 830 HB3 MET 109 1HB MET 109 -4.967 -2.861 -9.204 831 HG2 MET 109 2HG MET 109 -4.368 -3.354 -6.952 832 HG3 MET 109 1HG MET 109 -5.852 -2.410 -6.935 833 HE1 MET 109 3HE MET 109 -8.268 -4.450 -4.981 834 HE2 MET 109 1HE MET 109 -8.297 -3.556 -6.501 835 HE3 MET 109 2HE MET 109 -7.444 -2.893 -5.107 836 H ILE 110 HN ILE 110 -6.342 -5.800 -9.934 837 HA ILE 110 HA ILE 110 -8.380 -7.174 -8.360 838 HB ILE 110 HB ILE 110 -8.817 -8.746 -10.291 839 HG12 ILE 110 2HG1 ILE 110 -7.692 -6.473 -11.941 840 HG13 ILE 110 1HG1 ILE 110 -6.886 -8.015 -11.678 841 HG21 ILE 110 1HG2 ILE 110 -10.493 -7.158 -9.578 842 HG22 ILE 110 2HG2 ILE 110 -10.505 -7.291 -11.337 843 HG23 ILE 110 3HG2 ILE 110 -9.756 -5.895 -10.563 844 HD11 ILE 110 3HD1 ILE 110 -8.744 -9.160 -12.797 845 HD12 ILE 110 1HD1 ILE 110 -7.972 -7.967 -13.843 846 HD13 ILE 110 2HD1 ILE 110 -9.518 -7.601 -13.083 847 H ASN 111 HN ASN 111 -7.616 -8.968 -7.422 848 HA ASN 111 HA ASN 111 -5.029 -10.011 -8.344 849 HB2 ASN 111 2HB ASN 111 -4.728 -10.929 -6.080 850 HB3 ASN 111 1HB ASN 111 -4.955 -9.187 -6.037 851 HD21 ASN 111 1HD2 ASN 111 -5.322 -11.099 -3.897 852 HD22 ASN 111 2HD2 ASN 111 -6.980 -10.985 -3.420 853 H LEU 112 HN LEU 112 -4.905 -12.066 -9.082 854 HA LEU 112 HA LEU 112 -7.108 -13.904 -8.605 855 HB2 LEU 112 2HB LEU 112 -7.905 -12.541 -10.473 856 HB3 LEU 112 1HB LEU 112 -6.448 -12.905 -11.376 857 HG LEU 112 HG LEU 112 -7.103 -15.306 -11.382 858 HD11 LEU 112 1HD1 LEU 112 -8.516 -15.312 -9.402 859 HD12 LEU 112 2HD1 LEU 112 -9.404 -15.899 -10.808 860 HD13 LEU 112 3HD1 LEU 112 -9.677 -14.262 -10.211 861 HD21 LEU 112 3HD2 LEU 112 -9.116 -13.389 -12.552 862 HD22 LEU 112 1HD2 LEU 112 -8.854 -15.057 -13.067 863 HD23 LEU 112 2HD2 LEU 112 -7.579 -13.856 -13.285 864 H GLU 113 HN GLU 113 -6.192 -15.753 -8.154 865 HA GLU 113 HA GLU 113 -4.156 -16.795 -10.002 866 HB2 GLU 113 2HB GLU 113 -2.955 -16.257 -7.967 867 HB3 GLU 113 1HB GLU 113 -4.176 -17.054 -6.985 868 HG2 GLU 113 2HG GLU 113 -2.139 -18.383 -7.186 869 HG3 GLU 113 1HG GLU 113 -3.537 -19.208 -7.865 870 H HIS 114 HN HIS 114 -5.464 -18.101 -11.157 871 HA HIS 114 HA HIS 114 -7.074 -20.069 -9.680 872 HB2 HIS 114 2HB HIS 114 -8.472 -18.134 -10.458 873 HB3 HIS 114 1HB HIS 114 -8.047 -18.551 -12.113 874 HD1 HIS 114 1HD HIS 114 -9.569 -20.359 -9.121 875 HD2 HIS 114 2HD HIS 114 -9.954 -20.085 -13.252 876 HE1 HIS 114 1HE HIS 114 -11.510 -21.839 -9.721 877 HE2 HIS 114 2HE HIS 114 -11.672 -21.734 -12.237 878 H HIS 115 HN HIS 115 -4.811 -20.995 -10.423 879 HA HIS 115 HA HIS 115 -5.175 -22.258 -13.051 880 HB2 HIS 115 2HB HIS 115 -2.728 -21.872 -11.328 881 HB3 HIS 115 1HB HIS 115 -2.751 -22.982 -12.694 882 HD1 HIS 115 1HD HIS 115 -2.540 -19.383 -11.812 883 HD2 HIS 115 2HD HIS 115 -2.899 -21.728 -15.236 884 HE1 HIS 115 1HE HIS 115 -2.032 -17.853 -13.751 885 HE2 HIS 115 2HE HIS 115 -2.450 -19.246 -15.809 886 H HIS 116 HN HIS 116 -4.812 -24.543 -13.246 887 HA HIS 116 HA HIS 116 -5.069 -26.051 -10.726 888 HB2 HIS 116 2HB HIS 116 -6.699 -26.527 -13.236 889 HB3 HIS 116 1HB HIS 116 -6.697 -27.567 -11.819 890 HD1 HIS 116 1HD HIS 116 -8.643 -25.029 -13.330 891 HD2 HIS 116 2HD HIS 116 -7.549 -25.903 -9.412 892 HE1 HIS 116 1HE HIS 116 -10.321 -23.849 -11.874 893 HE2 HIS 116 2HE HIS 116 -9.549 -24.260 -9.508 894 H HIS 117 HN HIS 117 -3.500 -27.536 -10.605 895 HA HIS 117 HA HIS 117 -1.737 -27.973 -12.791 896 HB2 HIS 117 2HB HIS 117 -1.044 -28.075 -10.390 897 HB3 HIS 117 1HB HIS 117 -1.942 -29.580 -10.233 898 HD1 HIS 117 1HD HIS 117 -0.975 -31.681 -11.459 899 HD2 HIS 117 2HD HIS 117 1.437 -28.295 -11.620 900 HE1 HIS 117 1HE HIS 117 1.276 -32.486 -12.239 901 HE2 HIS 117 2HE HIS 117 2.642 -30.389 -12.554 902 H HIS 118 HN HIS 118 -2.449 -29.028 -14.527 903 HA HIS 118 HA HIS 118 -3.254 -31.804 -14.108 904 HB2 HIS 118 2HB HIS 118 -4.886 -31.669 -15.978 905 HB3 HIS 118 1HB HIS 118 -5.350 -30.695 -14.593 906 HD1 HIS 118 1HD HIS 118 -6.017 -28.361 -15.089 907 HD2 HIS 118 2HD HIS 118 -3.738 -30.010 -18.151 908 HE1 HIS 118 1HE HIS 118 -6.038 -26.661 -16.945 909 HE2 HIS 118 2HE HIS 118 -4.537 -27.615 -18.733 910 H HIS 119 HN HIS 119 -2.701 -33.200 -15.852 911 HA HIS 119 HA HIS 119 -0.198 -32.424 -17.045 912 HB2 HIS 119 2HB HIS 119 -0.551 -34.674 -16.062 913 HB3 HIS 119 1HB HIS 119 -1.756 -35.008 -17.302 914 HD1 HIS 119 1HD HIS 119 -0.819 -35.197 -19.802 915 HD2 HIS 119 2HD HIS 119 2.049 -35.140 -16.792 916 HE1 HIS 119 1HE HIS 119 1.286 -36.064 -20.858 917 HE2 HIS 119 2HE HIS 119 2.927 -36.244 -18.962 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -7.488 -31.732 10.818 2 H2 MET 1 H2 MET 1 -5.991 -32.525 10.736 3 H3 MET 1 H3 MET 1 -7.114 -32.707 9.479 4 HA MET 1 HA MET 1 -6.904 -30.413 8.878 5 HB2 MET 1 2HB MET 1 -6.430 -29.588 11.176 6 HB3 MET 1 1HB MET 1 -4.824 -30.297 11.080 7 HG2 MET 1 2HG MET 1 -4.274 -28.814 9.226 8 HG3 MET 1 1HG MET 1 -5.888 -28.108 9.308 9 HE1 MET 1 2HE MET 1 -3.426 -26.242 9.317 10 HE2 MET 1 3HE MET 1 -3.768 -25.158 10.666 11 HE3 MET 1 1HE MET 1 -5.065 -25.644 9.575 12 HA PRO 2 HA PRO 2 -3.787 -32.299 6.286 13 HB2 PRO 2 2HB PRO 2 -3.989 -29.820 4.716 14 HB3 PRO 2 1HB PRO 2 -4.373 -31.477 4.243 15 HG2 PRO 2 2HG PRO 2 -6.288 -29.634 4.626 16 HG3 PRO 2 1HG PRO 2 -6.534 -31.342 5.040 17 HD2 PRO 2 2HD PRO 2 -5.867 -29.033 6.835 18 HD3 PRO 2 1HD PRO 2 -7.032 -30.352 7.085 19 H THR 3 HN THR 3 -1.820 -31.192 4.962 20 HA THR 3 HA THR 3 -0.075 -30.168 6.992 21 HB THR 3 HB THR 3 1.602 -30.084 5.091 22 HG1 THR 3 1HG THR 3 -0.530 -30.245 3.590 23 HG21 THR 3 3HG2 THR 3 0.192 -32.707 5.577 24 HG22 THR 3 1HG2 THR 3 1.422 -31.988 6.616 25 HG23 THR 3 2HG2 THR 3 1.842 -32.508 4.985 26 H PHE 4 HN PHE 4 1.564 -28.388 5.637 27 HA PHE 4 HA PHE 4 0.260 -25.962 6.064 28 HB2 PHE 4 2HB PHE 4 2.836 -26.708 4.778 29 HB3 PHE 4 1HB PHE 4 2.301 -25.041 4.805 30 HD1 PHE 4 2HD PHE 4 1.992 -23.883 6.974 31 HD2 PHE 4 1HD PHE 4 3.719 -27.762 6.706 32 HE1 PHE 4 2HE PHE 4 2.916 -23.626 9.243 33 HE2 PHE 4 1HE PHE 4 4.645 -27.515 8.969 34 HZ PHE 4 HZ PHE 4 4.243 -25.445 10.241 35 H ASP 5 HN ASP 5 -0.438 -24.366 4.681 36 HA ASP 5 HA ASP 5 -0.795 -25.008 1.874 37 HB2 ASP 5 2HB ASP 5 -2.817 -25.887 2.943 38 HB3 ASP 5 1HB ASP 5 -3.082 -24.341 3.745 39 H HIS 6 HN HIS 6 0.395 -23.366 1.214 40 HA HIS 6 HA HIS 6 0.434 -20.772 2.251 41 HB2 HIS 6 2HB HIS 6 1.535 -20.086 0.191 42 HB3 HIS 6 1HB HIS 6 2.164 -21.649 0.690 43 HD1 HIS 6 1HD HIS 6 1.125 -19.921 -2.234 44 HD2 HIS 6 2HD HIS 6 0.687 -23.827 -0.850 45 HE1 HIS 6 1HE HIS 6 0.565 -21.305 -4.254 46 HE2 HIS 6 2HE HIS 6 0.106 -23.617 -3.367 47 H GLY 7 HN GLY 7 -1.209 -19.459 2.444 48 HA2 GLY 7 2HA GLY 7 -3.311 -19.497 0.382 49 HA3 GLY 7 1HA GLY 7 -3.535 -18.961 2.045 50 H ASN 8 HN ASN 8 -4.458 -17.236 0.338 51 HA ASN 8 HA ASN 8 -2.350 -15.194 0.107 52 HB2 ASN 8 2HB ASN 8 -4.843 -15.434 -1.573 53 HB3 ASN 8 1HB ASN 8 -3.647 -14.162 -1.705 54 HD21 ASN 8 1HD2 ASN 8 -1.688 -14.575 -2.675 55 HD22 ASN 8 2HD2 ASN 8 -1.397 -16.002 -3.610 56 H LEU 9 HN LEU 9 -2.827 -13.149 0.727 57 HA LEU 9 HA LEU 9 -5.443 -12.600 1.920 58 HB2 LEU 9 2HB LEU 9 -3.973 -13.332 3.758 59 HB3 LEU 9 1HB LEU 9 -2.797 -12.113 3.302 60 HG LEU 9 HG LEU 9 -4.463 -10.353 3.838 61 HD11 LEU 9 1HD1 LEU 9 -6.496 -11.620 3.498 62 HD12 LEU 9 2HD1 LEU 9 -6.445 -10.984 5.143 63 HD13 LEU 9 3HD1 LEU 9 -6.086 -12.684 4.842 64 HD21 LEU 9 3HD2 LEU 9 -4.341 -10.638 6.285 65 HD22 LEU 9 1HD2 LEU 9 -2.801 -10.953 5.481 66 HD23 LEU 9 2HD2 LEU 9 -3.795 -12.297 6.042 67 H SER 10 HN SER 10 -6.157 -10.700 1.169 68 HA SER 10 HA SER 10 -4.220 -9.006 -0.226 69 HB2 SER 10 2HB SER 10 -7.238 -9.017 -0.438 70 HB3 SER 10 1HB SER 10 -6.113 -8.152 -1.485 71 HG SER 10 HG SER 10 -5.285 -10.605 -1.598 72 H LEU 11 HN LEU 11 -3.668 -7.099 0.535 73 HA LEU 11 HA LEU 11 -5.068 -5.935 2.794 74 HB2 LEU 11 2HB LEU 11 -2.751 -4.838 1.188 75 HB3 LEU 11 1HB LEU 11 -3.322 -4.226 2.727 76 HG LEU 11 HG LEU 11 -2.102 -6.961 2.322 77 HD11 LEU 11 1HD1 LEU 11 -0.889 -4.432 3.431 78 HD12 LEU 11 2HD1 LEU 11 -0.467 -5.214 1.907 79 HD13 LEU 11 3HD1 LEU 11 -0.132 -6.026 3.436 80 HD21 LEU 11 3HD2 LEU 11 -2.814 -5.430 4.822 81 HD22 LEU 11 1HD2 LEU 11 -1.925 -6.953 4.776 82 HD23 LEU 11 2HD2 LEU 11 -3.600 -6.892 4.226 83 H GLY 12 HN GLY 12 -5.248 -5.908 -0.552 84 HA2 GLY 12 2HA GLY 12 -6.895 -4.825 -1.834 85 HA3 GLY 12 1HA GLY 12 -7.101 -3.654 -0.535 86 H GLU 13 HN GLU 13 -7.013 -2.134 -2.419 87 HA GLU 13 HA GLU 13 -4.243 -1.560 -3.132 88 HB2 GLU 13 2HB GLU 13 -5.198 0.093 -4.731 89 HB3 GLU 13 1HB GLU 13 -5.638 -1.573 -5.060 90 HG2 GLU 13 2HG GLU 13 -7.831 -1.147 -3.992 91 HG3 GLU 13 1HG GLU 13 -7.372 0.549 -3.822 92 H LEU 14 HN LEU 14 -3.197 -0.324 -1.823 93 HA LEU 14 HA LEU 14 -4.667 1.404 0.020 94 HB2 LEU 14 2HB LEU 14 -1.805 0.440 0.058 95 HB3 LEU 14 1HB LEU 14 -2.553 1.424 1.301 96 HG LEU 14 HG LEU 14 -3.446 -1.365 0.568 97 HD11 LEU 14 1HD1 LEU 14 -2.390 -2.052 2.660 98 HD12 LEU 14 2HD1 LEU 14 -1.782 -0.415 2.899 99 HD13 LEU 14 3HD1 LEU 14 -1.204 -1.380 1.540 100 HD21 LEU 14 3HD2 LEU 14 -5.223 0.011 1.498 101 HD22 LEU 14 1HD2 LEU 14 -4.188 0.458 2.855 102 HD23 LEU 14 2HD2 LEU 14 -4.718 -1.213 2.663 103 H GLU 15 HN GLU 15 -4.145 3.548 0.349 104 HA GLU 15 HA GLU 15 -3.007 4.986 -1.854 105 HB2 GLU 15 2HB GLU 15 -3.753 5.964 0.913 106 HB3 GLU 15 1HB GLU 15 -3.407 6.979 -0.477 107 HG2 GLU 15 2HG GLU 15 -5.377 6.181 -1.610 108 HG3 GLU 15 1HG GLU 15 -5.694 5.029 -0.313 109 H LEU 16 HN LEU 16 -0.937 5.669 -2.070 110 HA LEU 16 HA LEU 16 0.845 5.245 0.221 111 HB2 LEU 16 2HB LEU 16 2.675 4.897 -1.318 112 HB3 LEU 16 1HB LEU 16 1.388 3.747 -1.603 113 HG LEU 16 HG LEU 16 1.528 6.218 -3.278 114 HD11 LEU 16 1HD1 LEU 16 3.789 5.346 -3.280 115 HD12 LEU 16 2HD1 LEU 16 3.006 5.027 -4.830 116 HD13 LEU 16 3HD1 LEU 16 3.185 3.731 -3.645 117 HD21 LEU 16 3HD2 LEU 16 0.605 4.682 -4.961 118 HD22 LEU 16 1HD2 LEU 16 -0.400 4.753 -3.517 119 HD23 LEU 16 2HD2 LEU 16 0.662 3.371 -3.783 120 H THR 17 HN THR 17 2.381 6.792 0.715 121 HA THR 17 HA THR 17 1.875 9.428 -0.500 122 HB THR 17 HB THR 17 2.819 8.853 2.317 123 HG1 THR 17 1HG THR 17 0.329 8.830 1.215 124 HG21 THR 17 3HG2 THR 17 3.523 11.040 1.468 125 HG22 THR 17 1HG2 THR 17 2.300 11.211 2.728 126 HG23 THR 17 2HG2 THR 17 1.855 11.410 1.032 127 H VAL 18 HN VAL 18 3.614 10.592 -1.241 128 HA VAL 18 HA VAL 18 6.269 9.375 -0.879 129 HB VAL 18 HB VAL 18 5.310 11.369 -2.947 130 HG11 VAL 18 1HG1 VAL 18 8.047 10.146 -2.602 131 HG12 VAL 18 2HG1 VAL 18 7.624 11.840 -2.343 132 HG13 VAL 18 3HG1 VAL 18 7.531 11.143 -3.962 133 HG21 VAL 18 3HG2 VAL 18 5.797 9.543 -4.532 134 HG22 VAL 18 1HG2 VAL 18 4.527 9.122 -3.384 135 HG23 VAL 18 2HG2 VAL 18 6.157 8.482 -3.170 136 H LEU 19 HN LEU 19 7.763 10.378 0.273 137 HA LEU 19 HA LEU 19 6.990 12.793 1.683 138 HB2 LEU 19 2HB LEU 19 9.394 11.001 2.017 139 HB3 LEU 19 1HB LEU 19 8.949 12.319 3.085 140 HG LEU 19 HG LEU 19 7.335 9.807 2.632 141 HD11 LEU 19 1HD1 LEU 19 7.959 9.283 4.944 142 HD12 LEU 19 2HD1 LEU 19 9.001 10.706 4.977 143 HD13 LEU 19 3HD1 LEU 19 9.365 9.371 3.883 144 HD21 LEU 19 3HD2 LEU 19 5.948 11.781 3.115 145 HD22 LEU 19 1HD2 LEU 19 6.898 12.076 4.573 146 HD23 LEU 19 2HD2 LEU 19 5.924 10.611 4.435 147 H TYR 20 HN TYR 20 7.870 14.720 1.454 148 HA TYR 20 HA TYR 20 10.249 15.167 -0.133 149 HB2 TYR 20 2HB TYR 20 9.116 16.587 -1.782 150 HB3 TYR 20 1HB TYR 20 8.472 14.949 -1.851 151 HD1 TYR 20 2HD TYR 20 6.314 14.543 -0.400 152 HD2 TYR 20 1HD TYR 20 7.630 18.375 -1.697 153 HE1 TYR 20 2HE TYR 20 4.041 15.419 -0.085 154 HE2 TYR 20 1HE TYR 20 5.356 19.268 -1.382 155 HH TYR 20 HH TYR 20 2.992 17.679 0.373 156 H ASP 21 HN ASP 21 11.020 17.342 0.086 157 HA ASP 21 HA ASP 21 10.088 18.801 2.366 158 HB2 ASP 21 2HB ASP 21 12.458 18.873 1.671 159 HB3 ASP 21 1HB ASP 21 11.990 19.665 0.168 160 H GLU 22 HN GLU 22 8.407 20.142 2.406 161 HA GLU 22 HA GLU 22 6.877 20.407 -0.002 162 HB2 GLU 22 2HB GLU 22 6.268 21.476 2.757 163 HB3 GLU 22 1HB GLU 22 5.127 21.282 1.433 164 HG2 GLU 22 2HG GLU 22 5.553 18.841 1.489 165 HG3 GLU 22 1HG GLU 22 6.564 19.088 2.908 166 H GLU 23 HN GLU 23 9.363 22.238 1.133 167 HA GLU 23 HA GLU 23 8.258 24.763 0.167 168 HB2 GLU 23 2HB GLU 23 10.976 24.108 1.315 169 HB3 GLU 23 1HB GLU 23 10.398 25.712 0.910 170 HG2 GLU 23 2HG GLU 23 8.606 25.432 2.591 171 HG3 GLU 23 1HG GLU 23 9.338 23.894 3.042 172 H ARG 24 HN ARG 24 10.507 22.225 -0.665 173 HA ARG 24 HA ARG 24 11.782 23.720 -2.765 174 HB2 ARG 24 2HB ARG 24 11.947 20.764 -2.189 175 HB3 ARG 24 1HB ARG 24 13.047 21.698 -3.186 176 HG2 ARG 24 2HG ARG 24 12.674 21.951 -0.214 177 HG3 ARG 24 1HG ARG 24 14.047 21.226 -1.047 178 HD2 ARG 24 2HD ARG 24 14.562 23.407 -2.061 179 HD3 ARG 24 1HD ARG 24 13.208 24.120 -1.185 180 HE ARG 24 HE ARG 24 15.100 22.785 0.516 181 HH11 ARG 24 1HH1 ARG 24 14.358 25.802 -1.099 182 HH12 ARG 24 2HH1 ARG 24 15.265 26.767 0.022 183 HH21 ARG 24 1HH2 ARG 24 16.298 24.039 1.978 184 HH22 ARG 24 2HH2 ARG 24 16.347 25.771 1.791 185 H TYR 25 HN TYR 25 9.532 20.948 -2.649 186 HA TYR 25 HA TYR 25 8.904 21.447 -5.487 187 HB2 TYR 25 2HB TYR 25 9.146 18.668 -4.335 188 HB3 TYR 25 1HB TYR 25 9.001 19.135 -6.021 189 HD1 TYR 25 2HD TYR 25 10.977 20.319 -7.112 190 HD2 TYR 25 1HD TYR 25 11.233 18.374 -3.335 191 HE1 TYR 25 2HE TYR 25 13.420 20.210 -7.337 192 HE2 TYR 25 1HE TYR 25 13.678 18.264 -3.553 193 HH TYR 25 HH TYR 25 15.352 18.270 -5.371 194 H ASP 26 HN ASP 26 6.897 20.361 -6.155 195 HA ASP 26 HA ASP 26 5.130 19.536 -3.969 196 HB2 ASP 26 2HB ASP 26 4.712 21.947 -4.894 197 HB3 ASP 26 1HB ASP 26 4.028 21.114 -6.278 198 H ILE 27 HN ILE 27 3.227 18.321 -4.902 199 HA ILE 27 HA ILE 27 4.410 16.341 -6.703 200 HB ILE 27 HB ILE 27 1.886 16.163 -5.045 201 HG12 ILE 27 2HG1 ILE 27 4.651 15.021 -4.557 202 HG13 ILE 27 1HG1 ILE 27 3.919 16.356 -3.669 203 HG21 ILE 27 1HG2 ILE 27 1.860 14.702 -7.012 204 HG22 ILE 27 2HG2 ILE 27 1.982 13.772 -5.518 205 HG23 ILE 27 3HG2 ILE 27 3.410 14.018 -6.524 206 HD11 ILE 27 3HD1 ILE 27 2.881 13.531 -3.740 207 HD12 ILE 27 1HD1 ILE 27 2.222 14.867 -2.796 208 HD13 ILE 27 2HD1 ILE 27 3.832 14.244 -2.436 209 H VAL 28 HN VAL 28 4.040 16.597 -8.791 210 HA VAL 28 HA VAL 28 1.593 17.816 -9.770 211 HB VAL 28 HB VAL 28 3.885 16.598 -11.329 212 HG11 VAL 28 1HG1 VAL 28 1.687 18.466 -12.212 213 HG12 VAL 28 2HG1 VAL 28 1.798 16.750 -12.602 214 HG13 VAL 28 3HG1 VAL 28 3.011 17.875 -13.214 215 HG21 VAL 28 3HG2 VAL 28 4.677 18.445 -9.967 216 HG22 VAL 28 1HG2 VAL 28 3.369 19.470 -10.559 217 HG23 VAL 28 2HG2 VAL 28 4.630 18.923 -11.664 218 H GLU 29 HN GLU 29 3.270 14.697 -10.040 219 HA GLU 29 HA GLU 29 0.672 13.366 -10.212 220 HB2 GLU 29 2HB GLU 29 2.960 12.980 -12.134 221 HB3 GLU 29 1HB GLU 29 1.769 11.718 -11.856 222 HG2 GLU 29 2HG GLU 29 0.021 13.448 -12.479 223 HG3 GLU 29 1HG GLU 29 1.369 14.430 -13.058 224 H GLN 30 HN GLN 30 0.730 11.171 -9.545 225 HA GLN 30 HA GLN 30 3.097 9.980 -8.478 226 HB2 GLN 30 2HB GLN 30 2.529 11.667 -6.703 227 HB3 GLN 30 1HB GLN 30 0.975 10.869 -6.505 228 HG2 GLN 30 2HG GLN 30 2.411 8.750 -6.084 229 HG3 GLN 30 1HG GLN 30 3.702 9.908 -5.770 230 HE21 GLN 30 1HE2 GLN 30 0.673 8.622 -4.692 231 HE22 GLN 30 2HE2 GLN 30 0.699 9.336 -3.113 232 H THR 31 HN THR 31 2.712 7.778 -7.909 233 HA THR 31 HA THR 31 0.450 6.483 -8.960 234 HB THR 31 HB THR 31 2.208 5.444 -6.727 235 HG1 THR 31 1HG THR 31 2.652 5.648 -9.534 236 HG21 THR 31 3HG2 THR 31 0.667 4.045 -8.917 237 HG22 THR 31 1HG2 THR 31 0.251 4.063 -7.201 238 HG23 THR 31 2HG2 THR 31 1.722 3.256 -7.746 239 H GLU 32 HN GLU 32 -1.546 6.110 -8.117 240 HA GLU 32 HA GLU 32 -2.226 7.672 -5.782 241 HB2 GLU 32 2HB GLU 32 -3.988 6.095 -7.661 242 HB3 GLU 32 1HB GLU 32 -4.543 7.241 -6.448 243 HG2 GLU 32 2HG GLU 32 -3.657 9.073 -7.610 244 HG3 GLU 32 1HG GLU 32 -2.661 8.046 -8.640 245 H THR 33 HN THR 33 -3.243 4.389 -6.775 246 HA THR 33 HA THR 33 -2.860 3.551 -3.983 247 HB THR 33 HB THR 33 -4.857 2.005 -4.353 248 HG1 THR 33 1HG THR 33 -6.071 2.267 -6.105 249 HG21 THR 33 3HG2 THR 33 -6.511 3.737 -3.823 250 HG22 THR 33 1HG2 THR 33 -5.371 4.979 -4.336 251 HG23 THR 33 2HG2 THR 33 -5.011 3.982 -2.925 252 H VAL 34 HN VAL 34 -2.117 1.459 -3.678 253 HA VAL 34 HA VAL 34 -1.408 -0.000 -6.138 254 HB VAL 34 HB VAL 34 0.618 -0.842 -4.926 255 HG11 VAL 34 1HG1 VAL 34 0.779 0.888 -6.611 256 HG12 VAL 34 2HG1 VAL 34 1.933 1.188 -5.312 257 HG13 VAL 34 3HG1 VAL 34 0.443 2.128 -5.401 258 HG21 VAL 34 3HG2 VAL 34 -0.057 1.384 -3.000 259 HG22 VAL 34 1HG2 VAL 34 1.447 0.463 -3.014 260 HG23 VAL 34 2HG2 VAL 34 -0.077 -0.342 -2.641 261 H GLN 35 HN GLN 35 -1.494 -2.214 -6.074 262 HA GLN 35 HA GLN 35 -3.271 -3.248 -4.003 263 HB2 GLN 35 2HB GLN 35 -2.501 -4.332 -6.717 264 HB3 GLN 35 1HB GLN 35 -3.600 -5.136 -5.602 265 HG2 GLN 35 2HG GLN 35 -5.201 -3.416 -5.785 266 HG3 GLN 35 1HG GLN 35 -4.060 -2.345 -6.594 267 HE21 GLN 35 1HE2 GLN 35 -3.595 -2.669 -8.763 268 HE22 GLN 35 2HE2 GLN 35 -4.579 -3.667 -9.780 269 H VAL 36 HN VAL 36 -2.558 -4.449 -2.435 270 HA VAL 36 HA VAL 36 -0.006 -5.897 -2.761 271 HB VAL 36 HB VAL 36 -1.071 -4.808 -0.152 272 HG11 VAL 36 1HG1 VAL 36 1.653 -5.828 -0.936 273 HG12 VAL 36 2HG1 VAL 36 0.456 -6.710 0.014 274 HG13 VAL 36 3HG1 VAL 36 1.179 -5.236 0.658 275 HG21 VAL 36 3HG2 VAL 36 -0.586 -2.940 -1.643 276 HG22 VAL 36 1HG2 VAL 36 1.021 -3.595 -1.955 277 HG23 VAL 36 2HG2 VAL 36 0.597 -3.031 -0.338 278 H ASP 37 HN ASP 37 -0.198 -8.000 -2.653 279 HA ASP 37 HA ASP 37 -2.273 -9.180 -0.930 280 HB2 ASP 37 2HB ASP 37 -2.929 -9.443 -3.291 281 HB3 ASP 37 1HB ASP 37 -1.378 -10.194 -3.643 282 H LEU 38 HN LEU 38 -1.587 -10.910 0.313 283 HA LEU 38 HA LEU 38 1.327 -11.337 0.262 284 HB2 LEU 38 2HB LEU 38 -0.538 -11.469 2.632 285 HB3 LEU 38 1HB LEU 38 1.202 -11.675 2.676 286 HG LEU 38 HG LEU 38 -0.234 -9.121 1.934 287 HD11 LEU 38 1HD1 LEU 38 1.257 -9.899 4.436 288 HD12 LEU 38 2HD1 LEU 38 -0.482 -9.636 4.293 289 HD13 LEU 38 3HD1 LEU 38 0.635 -8.289 4.073 290 HD21 LEU 38 3HD2 LEU 38 1.986 -8.103 2.032 291 HD22 LEU 38 1HD2 LEU 38 1.910 -9.355 0.792 292 HD23 LEU 38 2HD2 LEU 38 2.702 -9.687 2.333 293 H GLU 39 HN GLU 39 2.122 -13.370 0.392 294 HA GLU 39 HA GLU 39 0.176 -15.574 0.560 295 HB2 GLU 39 2HB GLU 39 2.461 -15.112 -1.230 296 HB3 GLU 39 1HB GLU 39 2.418 -16.710 -0.511 297 HG2 GLU 39 2HG GLU 39 0.007 -16.823 -1.315 298 HG3 GLU 39 1HG GLU 39 0.411 -15.423 -2.309 299 H GLY 40 HN GLY 40 0.710 -17.370 1.798 300 HA2 GLY 40 2HA GLY 40 3.048 -18.146 2.915 301 HA3 GLY 40 1HA GLY 40 2.532 -16.849 3.986 302 HA PRO 41 HA PRO 41 0.690 -20.907 5.441 303 HB2 PRO 41 2HB PRO 41 1.464 -19.686 8.031 304 HB3 PRO 41 1HB PRO 41 1.694 -21.341 7.454 305 HG2 PRO 41 2HG PRO 41 3.748 -19.642 7.626 306 HG3 PRO 41 1HG PRO 41 3.624 -20.815 6.301 307 HD2 PRO 41 2HD PRO 41 3.047 -17.879 6.290 308 HD3 PRO 41 1HD PRO 41 3.818 -18.882 5.043 309 H ARG 42 HN ARG 42 -1.440 -20.872 5.676 310 HA ARG 42 HA ARG 42 -3.011 -18.616 5.917 311 HB2 ARG 42 2HB ARG 42 -4.887 -20.095 6.418 312 HB3 ARG 42 1HB ARG 42 -3.885 -20.767 5.139 313 HG2 ARG 42 2HG ARG 42 -2.905 -22.348 6.650 314 HG3 ARG 42 1HG ARG 42 -3.709 -21.593 8.028 315 HD2 ARG 42 2HD ARG 42 -4.852 -23.639 7.329 316 HD3 ARG 42 1HD ARG 42 -5.880 -22.222 7.132 317 HE ARG 42 HE ARG 42 -4.870 -22.423 4.690 318 HH11 ARG 42 1HH1 ARG 42 -6.187 -24.868 6.808 319 HH12 ARG 42 2HH1 ARG 42 -6.694 -25.910 5.518 320 HH21 ARG 42 1HH2 ARG 42 -5.525 -23.773 2.982 321 HH22 ARG 42 2HH2 ARG 42 -6.301 -25.294 3.330 322 H GLY 43 HN GLY 43 -1.632 -20.598 8.466 323 HA2 GLY 43 2HA GLY 43 -3.110 -19.661 10.646 324 HA3 GLY 43 1HA GLY 43 -1.450 -20.235 10.723 325 H VAL 44 HN VAL 44 -0.080 -18.384 9.290 326 HA VAL 44 HA VAL 44 0.175 -16.254 11.133 327 HB VAL 44 HB VAL 44 1.264 -16.403 8.311 328 HG11 VAL 44 1HG1 VAL 44 2.941 -14.808 9.083 329 HG12 VAL 44 2HG1 VAL 44 2.164 -14.746 10.666 330 HG13 VAL 44 3HG1 VAL 44 1.314 -14.145 9.244 331 HG21 VAL 44 3HG2 VAL 44 3.318 -17.236 9.344 332 HG22 VAL 44 1HG2 VAL 44 1.961 -18.326 9.629 333 HG23 VAL 44 2HG2 VAL 44 2.520 -17.258 10.918 334 H LEU 45 HN LEU 45 -1.273 -16.496 7.918 335 HA LEU 45 HA LEU 45 -1.898 -13.799 7.526 336 HB2 LEU 45 2HB LEU 45 -3.416 -16.227 6.576 337 HB3 LEU 45 1HB LEU 45 -3.576 -14.608 5.924 338 HG LEU 45 HG LEU 45 -1.073 -16.293 5.805 339 HD11 LEU 45 1HD1 LEU 45 -2.819 -17.192 4.387 340 HD12 LEU 45 2HD1 LEU 45 -1.562 -16.435 3.407 341 HD13 LEU 45 3HD1 LEU 45 -3.091 -15.599 3.679 342 HD21 LEU 45 3HD2 LEU 45 -1.721 -13.617 4.578 343 HD22 LEU 45 1HD2 LEU 45 -0.260 -14.561 4.281 344 HD23 LEU 45 2HD2 LEU 45 -0.581 -13.913 5.890 345 H THR 46 HN THR 46 -3.673 -16.366 9.159 346 HA THR 46 HA THR 46 -6.029 -14.859 9.628 347 HB THR 46 HB THR 46 -5.008 -17.237 11.194 348 HG1 THR 46 1HG THR 46 -5.158 -17.774 8.994 349 HG21 THR 46 3HG2 THR 46 -7.792 -16.132 10.807 350 HG22 THR 46 1HG2 THR 46 -6.853 -16.095 12.300 351 HG23 THR 46 2HG2 THR 46 -7.402 -17.636 11.640 352 H VAL 47 HN VAL 47 -3.191 -15.608 11.648 353 HA VAL 47 HA VAL 47 -4.040 -14.280 13.967 354 HB VAL 47 HB VAL 47 -1.227 -14.762 12.974 355 HG11 VAL 47 1HG1 VAL 47 -1.290 -12.962 14.643 356 HG12 VAL 47 2HG1 VAL 47 -0.497 -14.408 15.268 357 HG13 VAL 47 3HG1 VAL 47 -2.150 -14.029 15.752 358 HG21 VAL 47 3HG2 VAL 47 -1.267 -16.641 14.563 359 HG22 VAL 47 1HG2 VAL 47 -2.479 -16.810 13.294 360 HG23 VAL 47 2HG2 VAL 47 -2.961 -16.290 14.910 361 H PHE 48 HN PHE 48 -2.157 -13.133 11.194 362 HA PHE 48 HA PHE 48 -1.659 -10.534 12.171 363 HB2 PHE 48 2HB PHE 48 -0.421 -11.555 10.289 364 HB3 PHE 48 1HB PHE 48 -1.874 -11.473 9.301 365 HD1 PHE 48 1HD PHE 48 0.567 -9.375 11.141 366 HD2 PHE 48 2HD PHE 48 -2.355 -9.564 8.053 367 HE1 PHE 48 1HE PHE 48 1.211 -7.120 10.400 368 HE2 PHE 48 2HE PHE 48 -1.718 -7.306 7.307 369 HZ PHE 48 HZ PHE 48 0.067 -6.081 8.480 370 H ARG 49 HN ARG 49 -4.352 -11.932 10.393 371 HA ARG 49 HA ARG 49 -5.585 -9.451 9.764 372 HB2 ARG 49 2HB ARG 49 -6.036 -12.215 9.227 373 HB3 ARG 49 1HB ARG 49 -7.533 -11.497 9.794 374 HG2 ARG 49 2HG ARG 49 -5.874 -10.302 7.593 375 HG3 ARG 49 1HG ARG 49 -7.152 -11.479 7.305 376 HD2 ARG 49 2HD ARG 49 -7.993 -9.230 6.957 377 HD3 ARG 49 1HD ARG 49 -8.771 -9.956 8.360 378 HE ARG 49 HE ARG 49 -6.936 -8.623 9.619 379 HH11 ARG 49 1HH1 ARG 49 -8.694 -7.551 6.788 380 HH12 ARG 49 2HH1 ARG 49 -8.554 -5.870 7.193 381 HH21 ARG 49 1HH2 ARG 49 -6.759 -6.415 10.153 382 HH22 ARG 49 2HH2 ARG 49 -7.467 -5.226 9.095 383 H PHE 50 HN PHE 50 -5.429 -11.242 12.653 384 HA PHE 50 HA PHE 50 -7.910 -10.386 13.760 385 HB2 PHE 50 2HB PHE 50 -5.390 -11.560 14.892 386 HB3 PHE 50 1HB PHE 50 -6.631 -10.926 15.953 387 HD1 PHE 50 2HD PHE 50 -9.119 -11.743 14.962 388 HD2 PHE 50 1HD PHE 50 -5.425 -13.849 14.782 389 HE1 PHE 50 2HE PHE 50 -10.345 -13.870 14.803 390 HE2 PHE 50 1HE PHE 50 -6.646 -15.979 14.620 391 HZ PHE 50 HZ PHE 50 -9.106 -15.991 14.633 392 H ALA 51 HN ALA 51 -4.826 -8.947 13.306 393 HA ALA 51 HA ALA 51 -5.262 -6.895 15.309 394 HB1 ALA 51 1HB ALA 51 -2.964 -7.283 13.394 395 HB2 ALA 51 2HB ALA 51 -3.024 -7.858 15.060 396 HB3 ALA 51 3HB ALA 51 -3.028 -6.125 14.722 397 H ARG 52 HN ARG 52 -5.224 -4.672 14.785 398 HA ARG 52 HA ARG 52 -6.670 -3.993 12.407 399 HB2 ARG 52 2HB ARG 52 -5.761 -2.565 14.860 400 HB3 ARG 52 1HB ARG 52 -6.214 -1.624 13.455 401 HG2 ARG 52 2HG ARG 52 -8.409 -2.796 13.460 402 HG3 ARG 52 1HG ARG 52 -7.934 -3.557 14.981 403 HD2 ARG 52 2HD ARG 52 -7.815 -1.447 16.083 404 HD3 ARG 52 1HD ARG 52 -7.994 -0.575 14.560 405 HE ARG 52 HE ARG 52 -10.155 -2.273 15.630 406 HH11 ARG 52 1HH1 ARG 52 -8.985 0.800 14.401 407 HH12 ARG 52 2HH1 ARG 52 -10.568 1.518 14.354 408 HH21 ARG 52 1HH2 ARG 52 -12.224 -1.332 15.568 409 HH22 ARG 52 2HH2 ARG 52 -12.412 0.317 15.021 410 HA PRO 53 HA PRO 53 -3.422 -2.834 9.697 411 HB2 PRO 53 2HB PRO 53 -4.262 -0.293 8.927 412 HB3 PRO 53 1HB PRO 53 -4.728 -1.818 8.172 413 HG2 PRO 53 2HG PRO 53 -6.195 -0.153 10.161 414 HG3 PRO 53 1HG PRO 53 -6.832 -1.116 8.816 415 HD2 PRO 53 2HD PRO 53 -7.003 -1.954 11.369 416 HD3 PRO 53 1HD PRO 53 -6.749 -3.089 10.027 417 H SER 54 HN SER 54 -1.496 -2.313 10.354 418 HA SER 54 HA SER 54 -0.993 0.280 11.577 419 HB2 SER 54 2HB SER 54 -0.022 -2.427 12.430 420 HB3 SER 54 1HB SER 54 0.650 -0.924 13.003 421 HG SER 54 HG SER 54 -2.019 -0.856 13.222 422 H TYR 55 HN TYR 55 -0.752 -0.911 8.901 423 HA TYR 55 HA TYR 55 2.148 -0.760 8.503 424 HB2 TYR 55 2HB TYR 55 1.606 -2.047 6.338 425 HB3 TYR 55 1HB TYR 55 1.551 -2.938 7.853 426 HD1 TYR 55 2HD TYR 55 -0.440 -1.565 5.094 427 HD2 TYR 55 1HD TYR 55 -0.556 -3.741 8.746 428 HE1 TYR 55 2HE TYR 55 -2.742 -2.270 4.594 429 HE2 TYR 55 1HE TYR 55 -2.856 -4.454 8.255 430 HH TYR 55 HH TYR 55 -4.292 -4.094 5.212 431 H GLU 56 HN GLU 56 2.910 0.798 7.250 432 HA GLU 56 HA GLU 56 0.974 2.412 5.732 433 HB2 GLU 56 2HB GLU 56 3.419 3.199 7.295 434 HB3 GLU 56 1HB GLU 56 2.799 4.229 6.017 435 HG2 GLU 56 2HG GLU 56 1.968 5.048 8.080 436 HG3 GLU 56 1HG GLU 56 0.622 4.304 7.224 437 H VAL 57 HN VAL 57 1.498 3.036 3.674 438 HA VAL 57 HA VAL 57 3.965 1.893 2.534 439 HB VAL 57 HB VAL 57 1.394 2.504 1.048 440 HG11 VAL 57 1HG1 VAL 57 2.422 1.211 -0.770 441 HG12 VAL 57 2HG1 VAL 57 3.899 1.067 0.182 442 HG13 VAL 57 3HG1 VAL 57 3.353 2.653 -0.361 443 HG21 VAL 57 3HG2 VAL 57 1.029 0.656 2.574 444 HG22 VAL 57 1HG2 VAL 57 2.477 -0.154 1.979 445 HG23 VAL 57 2HG2 VAL 57 1.088 0.070 0.912 446 H PHE 58 HN PHE 58 5.408 3.351 1.816 447 HA PHE 58 HA PHE 58 4.567 5.908 0.794 448 HB2 PHE 58 2HB PHE 58 5.677 7.273 2.444 449 HB3 PHE 58 1HB PHE 58 4.533 6.227 3.277 450 HD1 PHE 58 1HD PHE 58 5.430 4.152 4.434 451 HD2 PHE 58 2HD PHE 58 7.944 7.278 3.005 452 HE1 PHE 58 1HE PHE 58 7.233 3.375 5.911 453 HE2 PHE 58 2HE PHE 58 9.751 6.503 4.487 454 HZ PHE 58 HZ PHE 58 9.395 4.548 5.940 455 H VAL 59 HN VAL 59 6.363 7.164 -0.017 456 HA VAL 59 HA VAL 59 8.880 5.651 -0.311 457 HB VAL 59 HB VAL 59 7.829 7.455 -2.479 458 HG11 VAL 59 1HG1 VAL 59 9.394 6.200 -3.885 459 HG12 VAL 59 2HG1 VAL 59 9.860 5.230 -2.488 460 HG13 VAL 59 3HG1 VAL 59 10.206 6.958 -2.515 461 HG21 VAL 59 3HG2 VAL 59 7.066 5.466 -3.708 462 HG22 VAL 59 1HG2 VAL 59 6.144 5.725 -2.227 463 HG23 VAL 59 2HG2 VAL 59 7.390 4.478 -2.284 464 H ASP 60 HN ASP 60 10.679 6.860 0.082 465 HA ASP 60 HA ASP 60 10.228 9.690 0.724 466 HB2 ASP 60 2HB ASP 60 11.133 8.264 2.555 467 HB3 ASP 60 1HB ASP 60 12.545 7.930 1.557 468 H LEU 61 HN LEU 61 10.587 10.866 -1.047 469 HA LEU 61 HA LEU 61 13.111 10.422 -2.486 470 HB2 LEU 61 2HB LEU 61 10.373 10.828 -3.673 471 HB3 LEU 61 1HB LEU 61 11.849 11.066 -4.588 472 HG LEU 61 HG LEU 61 10.968 8.465 -3.325 473 HD11 LEU 61 1HD1 LEU 61 11.109 9.308 -6.215 474 HD12 LEU 61 2HD1 LEU 61 9.631 9.113 -5.274 475 HD13 LEU 61 3HD1 LEU 61 10.650 7.714 -5.618 476 HD21 LEU 61 3HD2 LEU 61 13.327 9.042 -5.120 477 HD22 LEU 61 1HD2 LEU 61 12.869 7.477 -4.453 478 HD23 LEU 61 2HD2 LEU 61 13.425 8.763 -3.380 479 H THR 62 HN THR 62 12.637 12.283 -0.441 480 HA THR 62 HA THR 62 12.021 14.845 -1.544 481 HB THR 62 HB THR 62 11.655 14.420 0.830 482 HG1 THR 62 1HG THR 62 13.530 16.412 0.084 483 HG21 THR 62 3HG2 THR 62 14.659 14.180 1.021 484 HG22 THR 62 1HG2 THR 62 13.500 12.873 1.244 485 HG23 THR 62 2HG2 THR 62 13.541 14.218 2.386 486 H GLU 63 HN GLU 63 14.777 12.849 -1.590 487 HA GLU 63 HA GLU 63 16.640 15.036 -1.996 488 HB2 GLU 63 2HB GLU 63 16.993 12.049 -2.156 489 HB3 GLU 63 1HB GLU 63 18.280 13.191 -2.447 490 HG2 GLU 63 2HG GLU 63 17.776 14.057 -0.122 491 HG3 GLU 63 1HG GLU 63 16.859 12.577 0.089 492 H ALA 64 HN ALA 64 14.335 13.613 -3.851 493 HA ALA 64 HA ALA 64 15.828 13.448 -6.323 494 HB1 ALA 64 1HB ALA 64 13.984 11.888 -5.880 495 HB2 ALA 64 2HB ALA 64 13.708 12.838 -7.341 496 HB3 ALA 64 3HB ALA 64 12.856 13.243 -5.850 497 H GLY 65 HN GLY 65 15.800 14.931 -7.980 498 HA2 GLY 65 2HA GLY 65 14.697 17.546 -7.253 499 HA3 GLY 65 1HA GLY 65 16.004 17.267 -8.393 500 H GLU 66 HN GLU 66 15.283 18.125 -10.209 501 HA GLU 66 HA GLU 66 12.543 18.220 -10.950 502 HB2 GLU 66 2HB GLU 66 14.884 18.696 -12.786 503 HB3 GLU 66 1HB GLU 66 13.270 19.375 -12.901 504 HG2 GLU 66 2HG GLU 66 15.328 20.017 -10.801 505 HG3 GLU 66 1HG GLU 66 14.854 21.042 -12.155 506 H GLY 67 HN GLY 67 11.449 17.128 -12.562 507 HA2 GLY 67 2HA GLY 67 11.271 15.605 -14.376 508 HA3 GLY 67 1HA GLY 67 12.838 14.941 -13.940 509 H SER 68 HN SER 68 10.645 13.310 -14.463 510 HA SER 68 HA SER 68 9.458 12.526 -11.968 511 HB2 SER 68 2HB SER 68 8.248 12.257 -14.112 512 HB3 SER 68 1HB SER 68 9.433 11.057 -14.617 513 HG SER 68 HG SER 68 7.702 10.895 -12.370 514 H HIS 69 HN HIS 69 9.942 10.806 -10.742 515 HA HIS 69 HA HIS 69 12.440 9.390 -11.379 516 HB2 HIS 69 2HB HIS 69 11.634 10.652 -8.755 517 HB3 HIS 69 1HB HIS 69 12.909 9.444 -8.878 518 HD1 HIS 69 1HD HIS 69 12.141 13.018 -9.720 519 HD2 HIS 69 2HD HIS 69 15.281 10.318 -10.076 520 HE1 HIS 69 1HE HIS 69 14.139 14.390 -10.362 521 HE2 HIS 69 2HE HIS 69 15.949 12.701 -10.831 522 H THR 70 HN THR 70 12.327 7.264 -11.255 523 HA THR 70 HA THR 70 9.882 6.109 -10.089 524 HB THR 70 HB THR 70 11.394 4.983 -12.449 525 HG1 THR 70 1HG THR 70 10.191 7.219 -12.537 526 HG21 THR 70 3HG2 THR 70 9.964 3.393 -11.305 527 HG22 THR 70 1HG2 THR 70 9.256 3.818 -12.862 528 HG23 THR 70 2HG2 THR 70 8.609 4.518 -11.378 529 H VAL 71 HN VAL 71 10.327 4.913 -8.358 530 HA VAL 71 HA VAL 71 12.607 3.071 -8.419 531 HB VAL 71 HB VAL 71 13.124 3.557 -6.030 532 HG11 VAL 71 1HG1 VAL 71 14.386 5.620 -6.418 533 HG12 VAL 71 2HG1 VAL 71 13.449 5.913 -7.883 534 HG13 VAL 71 3HG1 VAL 71 14.518 4.514 -7.786 535 HG21 VAL 71 3HG2 VAL 71 11.307 5.929 -6.446 536 HG22 VAL 71 1HG2 VAL 71 12.353 5.677 -5.049 537 HG23 VAL 71 2HG2 VAL 71 11.020 4.565 -5.364 538 H ASP 72 HN ASP 72 12.376 1.408 -6.596 539 HA ASP 72 HA ASP 72 9.652 0.491 -6.561 540 HB2 ASP 72 2HB ASP 72 10.521 -1.442 -5.292 541 HB3 ASP 72 1HB ASP 72 11.420 -1.158 -6.776 542 H VAL 73 HN VAL 73 8.411 0.052 -4.691 543 HA VAL 73 HA VAL 73 8.723 2.171 -2.712 544 HB VAL 73 HB VAL 73 6.380 0.312 -3.142 545 HG11 VAL 73 1HG1 VAL 73 5.118 1.960 -1.848 546 HG12 VAL 73 2HG1 VAL 73 6.585 2.909 -1.616 547 HG13 VAL 73 3HG1 VAL 73 6.454 1.300 -0.902 548 HG21 VAL 73 3HG2 VAL 73 6.821 3.118 -4.158 549 HG22 VAL 73 1HG2 VAL 73 5.317 2.208 -4.288 550 HG23 VAL 73 2HG2 VAL 73 6.759 1.651 -5.136 551 H GLU 74 HN GLU 74 9.420 1.794 -0.714 552 HA GLU 74 HA GLU 74 9.770 -0.940 0.211 553 HB2 GLU 74 2HB GLU 74 11.551 0.838 0.458 554 HB3 GLU 74 1HB GLU 74 10.502 1.634 1.624 555 HG2 GLU 74 2HG GLU 74 10.655 -0.211 3.128 556 HG3 GLU 74 1HG GLU 74 11.502 -1.187 1.927 557 H HIS 75 HN HIS 75 8.910 -1.637 2.317 558 HA HIS 75 HA HIS 75 6.342 -0.273 2.855 559 HB2 HIS 75 2HB HIS 75 6.711 -3.260 3.020 560 HB3 HIS 75 1HB HIS 75 5.208 -2.354 2.964 561 HD1 HIS 75 1HD HIS 75 4.554 -1.343 0.585 562 HD2 HIS 75 2HD HIS 75 7.738 -4.005 0.596 563 HE1 HIS 75 1HE HIS 75 4.895 -1.998 -1.819 564 HE2 HIS 75 2HE HIS 75 6.984 -3.418 -1.803 565 H ARG 76 HN ARG 76 5.549 -0.340 4.970 566 HA ARG 76 HA ARG 76 7.319 -1.474 7.025 567 HB2 ARG 76 2HB ARG 76 6.052 1.276 7.065 568 HB3 ARG 76 1HB ARG 76 6.860 0.531 8.435 569 HG2 ARG 76 2HG ARG 76 8.298 0.929 5.843 570 HG3 ARG 76 1HG ARG 76 8.133 2.249 7.001 571 HD2 ARG 76 2HD ARG 76 10.248 1.145 7.347 572 HD3 ARG 76 1HD ARG 76 9.192 0.823 8.720 573 HE ARG 76 HE ARG 76 8.753 -1.363 7.362 574 HH11 ARG 76 1HH1 ARG 76 11.797 0.326 7.723 575 HH12 ARG 76 2HH1 ARG 76 12.759 -1.119 7.614 576 HH21 ARG 76 1HH2 ARG 76 9.986 -3.267 7.219 577 HH22 ARG 76 2HH2 ARG 76 11.723 -3.180 7.340 578 H GLY 77 HN GLY 77 6.231 -2.112 8.952 579 HA2 GLY 77 2HA GLY 77 4.101 -2.067 10.214 580 HA3 GLY 77 1HA GLY 77 3.286 -2.232 8.665 581 H PHE 78 HN PHE 78 3.889 -4.241 7.409 582 HA PHE 78 HA PHE 78 3.956 -6.518 9.214 583 HB2 PHE 78 2HB PHE 78 3.591 -7.808 7.023 584 HB3 PHE 78 1HB PHE 78 2.283 -6.772 7.576 585 HD1 PHE 78 1HD PHE 78 4.869 -7.262 5.036 586 HD2 PHE 78 2HD PHE 78 1.703 -4.756 6.381 587 HE1 PHE 78 1HE PHE 78 4.839 -6.124 2.851 588 HE2 PHE 78 2HE PHE 78 1.672 -3.616 4.207 589 HZ PHE 78 HZ PHE 78 3.236 -4.295 2.434 590 HA PRO 79 HA PRO 79 8.244 -7.343 8.435 591 HB2 PRO 79 2HB PRO 79 7.839 -10.101 9.221 592 HB3 PRO 79 1HB PRO 79 8.631 -8.802 10.115 593 HG2 PRO 79 2HG PRO 79 6.254 -9.918 10.864 594 HG3 PRO 79 1HG PRO 79 6.729 -8.257 11.259 595 HD2 PRO 79 2HD PRO 79 4.903 -9.248 9.106 596 HD3 PRO 79 1HD PRO 79 4.745 -7.820 10.152 597 H GLY 80 HN GLY 80 9.641 -8.712 7.140 598 HA2 GLY 80 2HA GLY 80 8.306 -9.485 4.678 599 HA3 GLY 80 1HA GLY 80 10.041 -9.349 4.930 600 H ASP 81 HN ASP 81 7.734 -11.222 6.835 601 HA ASP 81 HA ASP 81 9.289 -13.625 6.418 602 HB2 ASP 81 2HB ASP 81 8.374 -13.182 8.649 603 HB3 ASP 81 1HB ASP 81 6.748 -13.166 7.981 604 H LEU 82 HN LEU 82 6.125 -12.363 5.652 605 HA LEU 82 HA LEU 82 5.341 -14.711 4.170 606 HB2 LEU 82 2HB LEU 82 4.002 -12.019 4.431 607 HB3 LEU 82 1HB LEU 82 3.286 -13.449 3.716 608 HG LEU 82 HG LEU 82 4.098 -13.191 6.615 609 HD11 LEU 82 1HD1 LEU 82 1.366 -13.105 5.337 610 HD12 LEU 82 2HD1 LEU 82 2.209 -11.746 6.078 611 HD13 LEU 82 3HD1 LEU 82 1.697 -13.111 7.071 612 HD21 LEU 82 3HD2 LEU 82 4.215 -15.488 5.808 613 HD22 LEU 82 1HD2 LEU 82 2.580 -15.357 5.159 614 HD23 LEU 82 2HD2 LEU 82 2.846 -15.279 6.901 615 H ALA 83 HN ALA 83 4.514 -14.423 1.904 616 HA ALA 83 HA ALA 83 6.509 -13.065 0.305 617 HB1 ALA 83 1HB ALA 83 4.082 -14.640 -0.554 618 HB2 ALA 83 2HB ALA 83 5.708 -15.286 -0.346 619 HB3 ALA 83 3HB ALA 83 5.391 -14.088 -1.600 620 H VAL 84 HN VAL 84 6.326 -10.975 -0.095 621 HA VAL 84 HA VAL 84 3.707 -9.700 0.125 622 HB VAL 84 HB VAL 84 6.441 -8.429 -0.157 623 HG11 VAL 84 1HG1 VAL 84 5.346 -6.382 0.592 624 HG12 VAL 84 2HG1 VAL 84 3.792 -7.216 0.622 625 HG13 VAL 84 3HG1 VAL 84 4.636 -6.975 -0.910 626 HG21 VAL 84 3HG2 VAL 84 4.772 -8.875 2.311 627 HG22 VAL 84 1HG2 VAL 84 6.278 -7.960 2.237 628 HG23 VAL 84 2HG2 VAL 84 6.282 -9.694 1.909 629 H THR 85 HN THR 85 2.553 -9.581 -1.694 630 HA THR 85 HA THR 85 4.003 -9.191 -4.219 631 HB THR 85 HB THR 85 1.120 -9.987 -4.080 632 HG1 THR 85 1HG THR 85 2.570 -11.450 -2.816 633 HG21 THR 85 3HG2 THR 85 2.060 -9.313 -6.240 634 HG22 THR 85 1HG2 THR 85 1.632 -11.024 -6.238 635 HG23 THR 85 2HG2 THR 85 3.319 -10.537 -6.076 636 H VAL 86 HN VAL 86 3.784 -7.385 -5.234 637 HA VAL 86 HA VAL 86 1.540 -5.558 -4.665 638 HB VAL 86 HB VAL 86 3.918 -4.150 -5.539 639 HG11 VAL 86 1HG1 VAL 86 2.001 -3.093 -4.474 640 HG12 VAL 86 2HG1 VAL 86 3.470 -2.769 -3.555 641 HG13 VAL 86 3HG1 VAL 86 2.317 -3.970 -2.976 642 HG21 VAL 86 3HG2 VAL 86 5.259 -4.374 -3.456 643 HG22 VAL 86 1HG2 VAL 86 5.260 -5.803 -4.491 644 HG23 VAL 86 2HG2 VAL 86 4.276 -5.775 -3.026 645 H GLU 87 HN GLU 87 0.821 -4.428 -6.714 646 HA GLU 87 HA GLU 87 3.061 -4.578 -8.614 647 HB2 GLU 87 2HB GLU 87 0.147 -4.768 -9.378 648 HB3 GLU 87 1HB GLU 87 1.471 -4.591 -10.518 649 HG2 GLU 87 2HG GLU 87 2.378 -6.752 -9.729 650 HG3 GLU 87 1HG GLU 87 0.965 -6.923 -8.686 651 HA PRO 88 HA PRO 88 3.605 -1.423 -10.087 652 HB2 PRO 88 2HB PRO 88 4.761 0.458 -8.545 653 HB3 PRO 88 1HB PRO 88 3.054 0.529 -8.963 654 HG2 PRO 88 2HG PRO 88 4.255 0.049 -6.362 655 HG3 PRO 88 1HG PRO 88 2.542 0.281 -6.752 656 HD2 PRO 88 2HD PRO 88 4.075 -2.253 -6.435 657 HD3 PRO 88 1HD PRO 88 2.332 -1.954 -6.230 658 H ARG 89 HN ARG 89 5.623 -2.125 -10.746 659 HA ARG 89 HA ARG 89 7.218 -3.555 -8.809 660 HB2 ARG 89 2HB ARG 89 7.560 -2.930 -11.745 661 HB3 ARG 89 1HB ARG 89 8.903 -3.585 -10.818 662 HG2 ARG 89 2HG ARG 89 6.201 -4.877 -11.056 663 HG3 ARG 89 1HG ARG 89 7.613 -5.277 -12.030 664 HD2 ARG 89 2HD ARG 89 8.845 -5.769 -9.910 665 HD3 ARG 89 1HD ARG 89 7.330 -5.541 -9.041 666 HE ARG 89 HE ARG 89 6.769 -7.424 -10.953 667 HH11 ARG 89 1HH1 ARG 89 9.061 -7.119 -8.318 668 HH12 ARG 89 2HH1 ARG 89 9.158 -8.831 -8.025 669 HH21 ARG 89 1HH2 ARG 89 6.897 -9.685 -10.579 670 HH22 ARG 89 2HH2 ARG 89 7.951 -10.290 -9.330 671 H MET 90 HN MET 90 7.528 -0.645 -10.740 672 HA MET 90 HA MET 90 8.868 0.584 -8.437 673 HB2 MET 90 2HB MET 90 9.544 1.028 -11.358 674 HB3 MET 90 1HB MET 90 10.104 2.066 -10.056 675 HG2 MET 90 2HG MET 90 11.259 0.150 -9.047 676 HG3 MET 90 1HG MET 90 10.728 -0.856 -10.390 677 HE1 MET 90 3HE MET 90 14.587 -0.402 -11.000 678 HE2 MET 90 1HE MET 90 13.285 -1.556 -10.712 679 HE3 MET 90 2HE MET 90 13.798 -0.462 -9.426 680 H ALA 91 HN ALA 91 8.350 2.857 -8.194 681 HA ALA 91 HA ALA 91 5.803 3.545 -9.514 682 HB1 ALA 91 1HB ALA 91 5.447 2.931 -7.181 683 HB2 ALA 91 2HB ALA 91 5.139 4.650 -7.428 684 HB3 ALA 91 3HB ALA 91 6.643 4.126 -6.672 685 H ARG 92 HN ARG 92 5.502 5.681 -10.113 686 HA ARG 92 HA ARG 92 7.996 7.231 -10.194 687 HB2 ARG 92 2HB ARG 92 7.241 8.166 -12.295 688 HB3 ARG 92 1HB ARG 92 7.202 6.413 -12.392 689 HG2 ARG 92 2HG ARG 92 4.782 6.449 -12.022 690 HG3 ARG 92 1HG ARG 92 4.825 8.211 -11.938 691 HD2 ARG 92 2HD ARG 92 4.128 7.583 -14.140 692 HD3 ARG 92 1HD ARG 92 5.765 8.229 -14.243 693 HE ARG 92 HE ARG 92 5.238 5.330 -14.187 694 HH11 ARG 92 1HH1 ARG 92 6.740 8.139 -15.619 695 HH12 ARG 92 2HH1 ARG 92 7.650 7.231 -16.784 696 HH21 ARG 92 1HH2 ARG 92 6.418 4.114 -15.736 697 HH22 ARG 92 2HH2 ARG 92 7.429 4.940 -16.880 698 H VAL 93 HN VAL 93 8.031 9.197 -9.351 699 HA VAL 93 HA VAL 93 5.458 10.527 -8.814 700 HB VAL 93 HB VAL 93 6.675 9.902 -6.739 701 HG11 VAL 93 1HG1 VAL 93 8.720 11.110 -6.122 702 HG12 VAL 93 2HG1 VAL 93 8.790 11.802 -7.743 703 HG13 VAL 93 3HG1 VAL 93 8.964 10.061 -7.520 704 HG21 VAL 93 3HG2 VAL 93 5.164 11.790 -6.709 705 HG22 VAL 93 1HG2 VAL 93 6.453 12.861 -7.263 706 HG23 VAL 93 2HG2 VAL 93 6.552 12.113 -5.668 707 H GLN 94 HN GLN 94 5.216 12.599 -9.552 708 HA GLN 94 HA GLN 94 7.470 13.682 -11.100 709 HB2 GLN 94 2HB GLN 94 5.425 13.300 -12.393 710 HB3 GLN 94 1HB GLN 94 4.507 14.282 -11.265 711 HG2 GLN 94 2HG GLN 94 4.917 15.565 -13.223 712 HG3 GLN 94 1HG GLN 94 5.893 16.231 -11.923 713 HE21 GLN 94 1HE2 GLN 94 6.188 16.450 -14.789 714 HE22 GLN 94 2HE2 GLN 94 7.769 15.856 -15.144 715 H LEU 95 HN LEU 95 8.555 15.268 -10.206 716 HA LEU 95 HA LEU 95 7.214 16.935 -8.186 717 HB2 LEU 95 2HB LEU 95 10.108 16.065 -8.324 718 HB3 LEU 95 1HB LEU 95 9.474 17.224 -7.172 719 HG LEU 95 HG LEU 95 8.658 14.323 -7.348 720 HD11 LEU 95 1HD1 LEU 95 10.935 14.576 -6.540 721 HD12 LEU 95 2HD1 LEU 95 9.861 14.101 -5.223 722 HD13 LEU 95 3HD1 LEU 95 10.399 15.775 -5.364 723 HD21 LEU 95 3HD2 LEU 95 7.920 16.480 -5.372 724 HD22 LEU 95 1HD2 LEU 95 7.519 14.771 -5.216 725 HD23 LEU 95 2HD2 LEU 95 6.842 15.717 -6.541 726 H GLU 96 HN GLU 96 7.291 19.075 -8.453 727 HA GLU 96 HA GLU 96 9.217 20.197 -10.342 728 HB2 GLU 96 2HB GLU 96 7.138 19.787 -11.630 729 HB3 GLU 96 1HB GLU 96 6.245 20.770 -10.477 730 HG2 GLU 96 2HG GLU 96 7.499 22.730 -11.115 731 HG3 GLU 96 1HG GLU 96 8.517 21.765 -12.183 732 H GLU 97 HN GLU 97 9.833 22.271 -9.879 733 HA GLU 97 HA GLU 97 9.439 23.258 -7.256 734 HB2 GLU 97 2HB GLU 97 10.691 25.269 -8.209 735 HB3 GLU 97 1HB GLU 97 11.518 23.724 -8.246 736 HG2 GLU 97 2HG GLU 97 11.977 24.299 -10.357 737 HG3 GLU 97 1HG GLU 97 10.352 23.708 -10.679 738 H ARG 98 HN ARG 98 6.948 22.954 -8.280 739 HA ARG 98 HA ARG 98 5.915 25.694 -8.392 740 HB2 ARG 98 2HB ARG 98 5.959 24.881 -10.714 741 HB3 ARG 98 1HB ARG 98 5.044 23.461 -10.237 742 HG2 ARG 98 2HG ARG 98 3.382 24.769 -11.093 743 HG3 ARG 98 1HG ARG 98 3.318 25.242 -9.394 744 HD2 ARG 98 2HD ARG 98 3.245 27.241 -10.683 745 HD3 ARG 98 1HD ARG 98 4.854 27.140 -9.966 746 HE ARG 98 HE ARG 98 4.736 25.982 -12.584 747 HH11 ARG 98 1HH1 ARG 98 5.094 29.000 -10.836 748 HH12 ARG 98 2HH1 ARG 98 5.897 29.808 -12.151 749 HH21 ARG 98 1HH2 ARG 98 5.771 27.038 -14.300 750 HH22 ARG 98 2HH2 ARG 98 6.252 28.700 -14.133 751 H GLN 99 HN GLN 99 4.060 25.923 -7.229 752 HA GLN 99 HA GLN 99 3.460 23.803 -5.421 753 HB2 GLN 99 2HB GLN 99 1.874 25.536 -4.507 754 HB3 GLN 99 1HB GLN 99 3.570 25.955 -4.474 755 HG2 GLN 99 2HG GLN 99 3.283 27.365 -6.407 756 HG3 GLN 99 1HG GLN 99 1.596 26.870 -6.550 757 HE21 GLN 99 1HE2 GLN 99 0.098 27.634 -5.084 758 HE22 GLN 99 2HE2 GLN 99 0.412 28.981 -4.046 759 H THR 100 HN THR 100 1.787 22.477 -5.424 760 HA THR 100 HA THR 100 -0.392 22.921 -7.366 761 HB THR 100 HB THR 100 0.757 20.200 -6.691 762 HG1 THR 100 1HG THR 100 2.406 21.185 -7.786 763 HG21 THR 100 3HG2 THR 100 -0.390 19.512 -8.751 764 HG22 THR 100 1HG2 THR 100 -0.991 21.158 -8.966 765 HG23 THR 100 2HG2 THR 100 -1.524 20.197 -7.586 766 H VAL 101 HN VAL 101 0.329 23.001 -4.292 767 HA VAL 101 HA VAL 101 -0.926 23.057 -2.408 768 HB VAL 101 HB VAL 101 -3.181 21.818 -3.989 769 HG11 VAL 101 1HG1 VAL 101 -3.205 23.198 -1.309 770 HG12 VAL 101 2HG1 VAL 101 -3.390 21.464 -1.580 771 HG13 VAL 101 3HG1 VAL 101 -4.612 22.587 -2.177 772 HG21 VAL 101 3HG2 VAL 101 -2.653 24.706 -3.282 773 HG22 VAL 101 1HG2 VAL 101 -4.103 24.093 -4.076 774 HG23 VAL 101 2HG2 VAL 101 -2.541 23.993 -4.892 775 H SER 102 HN SER 102 -1.256 20.138 -4.275 776 HA SER 102 HA SER 102 -0.650 17.994 -3.877 777 HB2 SER 102 2HB SER 102 1.331 18.924 -2.747 778 HB3 SER 102 1HB SER 102 0.423 19.012 -1.237 779 HG SER 102 HG SER 102 1.815 17.100 -1.627 780 H VAL 103 HN VAL 103 -1.626 16.195 -3.113 781 HA VAL 103 HA VAL 103 -3.033 16.111 -0.630 782 HB VAL 103 HB VAL 103 -4.768 17.261 -1.838 783 HG11 VAL 103 1HG1 VAL 103 -4.591 15.096 -3.925 784 HG12 VAL 103 2HG1 VAL 103 -4.121 16.784 -4.121 785 HG13 VAL 103 3HG1 VAL 103 -5.814 16.366 -3.864 786 HG21 VAL 103 3HG2 VAL 103 -5.392 14.330 -1.518 787 HG22 VAL 103 1HG2 VAL 103 -6.606 15.598 -1.708 788 HG23 VAL 103 2HG2 VAL 103 -5.546 15.594 -0.299 789 HA PRO 104 HA PRO 104 -1.513 12.084 -2.035 790 HB2 PRO 104 2HB PRO 104 -0.089 11.473 0.120 791 HB3 PRO 104 1HB PRO 104 0.451 12.737 -0.992 792 HG2 PRO 104 2HG PRO 104 -0.835 12.993 1.687 793 HG3 PRO 104 1HG PRO 104 0.424 13.993 0.944 794 HD2 PRO 104 2HD PRO 104 -2.334 14.562 1.027 795 HD3 PRO 104 1HD PRO 104 -1.114 15.387 0.036 796 H VAL 105 HN VAL 105 -4.039 12.785 -0.270 797 HA VAL 105 HA VAL 105 -4.706 10.040 0.248 798 HB VAL 105 HB VAL 105 -3.522 10.563 2.325 799 HG11 VAL 105 1HG1 VAL 105 -5.542 12.776 2.647 800 HG12 VAL 105 2HG1 VAL 105 -3.811 12.968 2.375 801 HG13 VAL 105 3HG1 VAL 105 -4.393 12.258 3.882 802 HG21 VAL 105 3HG2 VAL 105 -5.261 9.936 3.910 803 HG22 VAL 105 1HG2 VAL 105 -5.436 9.038 2.402 804 HG23 VAL 105 2HG2 VAL 105 -6.503 10.400 2.747 805 H THR 106 HN THR 106 -6.805 9.710 -0.102 806 HA THR 106 HA THR 106 -8.769 11.780 0.494 807 HB THR 106 HB THR 106 -8.705 10.632 -2.309 808 HG1 THR 106 1HG THR 106 -7.189 12.657 -1.232 809 HG21 THR 106 3HG2 THR 106 -10.194 12.528 -2.797 810 HG22 THR 106 1HG2 THR 106 -10.120 13.019 -1.102 811 HG23 THR 106 2HG2 THR 106 -10.866 11.483 -1.547 812 H VAL 107 HN VAL 107 -8.293 9.394 1.731 813 HA VAL 107 HA VAL 107 -9.430 7.077 0.805 814 HB VAL 107 HB VAL 107 -8.076 7.035 2.764 815 HG11 VAL 107 1HG1 VAL 107 -8.811 7.947 4.925 816 HG12 VAL 107 2HG1 VAL 107 -10.214 8.659 4.129 817 HG13 VAL 107 3HG1 VAL 107 -8.592 9.200 3.701 818 HG21 VAL 107 3HG2 VAL 107 -9.686 5.243 2.604 819 HG22 VAL 107 1HG2 VAL 107 -10.897 6.217 3.438 820 HG23 VAL 107 2HG2 VAL 107 -9.450 5.686 4.295 821 H GLU 108 HN GLU 108 -11.249 7.077 -0.175 822 HA GLU 108 HA GLU 108 -13.635 6.507 0.914 823 HB2 GLU 108 2HB GLU 108 -13.335 9.457 0.821 824 HB3 GLU 108 1HB GLU 108 -14.826 8.826 0.142 825 HG2 GLU 108 2HG GLU 108 -13.812 8.580 2.956 826 HG3 GLU 108 1HG GLU 108 -15.298 9.335 2.385 827 H MET 109 HN MET 109 -11.909 8.189 -1.583 828 HA MET 109 HA MET 109 -13.865 7.678 -3.629 829 HB2 MET 109 2HB MET 109 -12.183 8.574 -5.188 830 HB3 MET 109 1HB MET 109 -12.446 9.647 -3.824 831 HG2 MET 109 2HG MET 109 -10.388 8.904 -2.804 832 HG3 MET 109 1HG MET 109 -10.136 7.738 -4.100 833 HE1 MET 109 3HE MET 109 -9.640 10.160 -7.187 834 HE2 MET 109 1HE MET 109 -11.144 9.443 -6.607 835 HE3 MET 109 2HE MET 109 -9.670 8.476 -6.667 836 H ILE 110 HN ILE 110 -14.223 5.759 -4.370 837 HA ILE 110 HA ILE 110 -12.036 4.140 -5.331 838 HB ILE 110 HB ILE 110 -12.200 3.379 -3.006 839 HG12 ILE 110 2HG1 ILE 110 -12.533 0.957 -3.453 840 HG13 ILE 110 1HG1 ILE 110 -13.217 1.365 -5.022 841 HG21 ILE 110 1HG2 ILE 110 -15.043 2.664 -3.686 842 HG22 ILE 110 2HG2 ILE 110 -14.518 3.908 -2.551 843 HG23 ILE 110 3HG2 ILE 110 -14.202 2.206 -2.206 844 HD11 ILE 110 3HD1 ILE 110 -11.080 2.394 -5.654 845 HD12 ILE 110 1HD1 ILE 110 -10.920 0.684 -5.258 846 HD13 ILE 110 2HD1 ILE 110 -10.407 1.910 -4.097 847 H ASN 111 HN ASN 111 -15.467 4.797 -5.038 848 HA ASN 111 HA ASN 111 -16.295 2.947 -7.049 849 HB2 ASN 111 2HB ASN 111 -17.861 3.926 -5.378 850 HB3 ASN 111 1HB ASN 111 -17.648 5.501 -6.134 851 HD21 ASN 111 1HD2 ASN 111 -19.731 5.768 -6.789 852 HD22 ASN 111 2HD2 ASN 111 -20.480 4.778 -7.997 853 H LEU 112 HN LEU 112 -15.597 3.093 -9.091 854 HA LEU 112 HA LEU 112 -15.512 5.723 -10.355 855 HB2 LEU 112 2HB LEU 112 -13.296 5.192 -11.353 856 HB3 LEU 112 1HB LEU 112 -13.259 5.445 -9.622 857 HG LEU 112 HG LEU 112 -13.382 2.837 -9.494 858 HD11 LEU 112 1HD1 LEU 112 -13.800 2.456 -11.869 859 HD12 LEU 112 2HD1 LEU 112 -12.286 1.711 -11.357 860 HD13 LEU 112 3HD1 LEU 112 -12.261 3.222 -12.265 861 HD21 LEU 112 3HD2 LEU 112 -10.940 2.729 -9.560 862 HD22 LEU 112 1HD2 LEU 112 -11.505 4.181 -8.736 863 HD23 LEU 112 2HD2 LEU 112 -10.897 4.287 -10.387 864 H GLU 113 HN GLU 113 -15.183 5.544 -12.736 865 HA GLU 113 HA GLU 113 -15.913 2.948 -13.857 866 HB2 GLU 113 2HB GLU 113 -17.604 3.934 -15.313 867 HB3 GLU 113 1HB GLU 113 -18.030 4.179 -13.626 868 HG2 GLU 113 2HG GLU 113 -17.326 6.477 -13.728 869 HG3 GLU 113 1HG GLU 113 -16.715 6.257 -15.366 870 H HIS 114 HN HIS 114 -14.970 2.539 -15.797 871 HA HIS 114 HA HIS 114 -13.501 4.761 -17.046 872 HB2 HIS 114 2HB HIS 114 -11.961 3.025 -18.019 873 HB3 HIS 114 1HB HIS 114 -11.847 3.217 -16.277 874 HD1 HIS 114 1HD HIS 114 -12.484 0.737 -18.909 875 HD2 HIS 114 2HD HIS 114 -12.995 1.020 -14.791 876 HE1 HIS 114 1HE HIS 114 -12.837 -1.621 -18.101 877 HE2 HIS 114 2HE HIS 114 -13.045 -1.439 -15.598 878 H HIS 115 HN HIS 115 -15.233 5.381 -18.214 879 HA HIS 115 HA HIS 115 -15.968 3.695 -20.478 880 HB2 HIS 115 2HB HIS 115 -17.641 3.157 -18.776 881 HB3 HIS 115 1HB HIS 115 -17.961 4.863 -18.512 882 HD1 HIS 115 1HD HIS 115 -18.869 1.996 -20.658 883 HD2 HIS 115 2HD HIS 115 -19.466 6.114 -20.598 884 HE1 HIS 115 1HE HIS 115 -20.741 2.439 -22.280 885 HE2 HIS 115 2HE HIS 115 -21.189 4.918 -22.107 886 H HIS 116 HN HIS 116 -14.888 5.168 -21.788 887 HA HIS 116 HA HIS 116 -15.805 7.942 -21.774 888 HB2 HIS 116 2HB HIS 116 -13.485 6.498 -22.989 889 HB3 HIS 116 1HB HIS 116 -14.029 7.998 -23.734 890 HD1 HIS 116 1HD HIS 116 -12.341 6.653 -20.678 891 HD2 HIS 116 2HD HIS 116 -13.549 10.313 -22.242 892 HE1 HIS 116 1HE HIS 116 -11.196 8.401 -19.282 893 HE2 HIS 116 2HE HIS 116 -11.748 10.588 -20.409 894 H HIS 117 HN HIS 117 -16.816 8.918 -23.486 895 HA HIS 117 HA HIS 117 -17.530 7.252 -25.778 896 HB2 HIS 117 2HB HIS 117 -19.888 7.815 -25.656 897 HB3 HIS 117 1HB HIS 117 -19.399 7.033 -24.159 898 HD1 HIS 117 1HD HIS 117 -21.203 9.872 -25.407 899 HD2 HIS 117 2HD HIS 117 -18.934 9.064 -22.017 900 HE1 HIS 117 1HE HIS 117 -21.873 11.607 -23.716 901 HE2 HIS 117 2HE HIS 117 -20.363 11.205 -21.737 902 H HIS 118 HN HIS 118 -17.357 8.326 -27.630 903 HA HIS 118 HA HIS 118 -16.380 11.008 -27.600 904 HB2 HIS 118 2HB HIS 118 -16.060 10.788 -29.934 905 HB3 HIS 118 1HB HIS 118 -15.769 9.181 -29.283 906 HD1 HIS 118 1HD HIS 118 -17.671 10.940 -31.821 907 HD2 HIS 118 2HD HIS 118 -18.114 7.417 -29.651 908 HE1 HIS 118 1HE HIS 118 -19.406 9.593 -33.051 909 HE2 HIS 118 2HE HIS 118 -19.825 7.586 -31.579 910 H HIS 119 HN HIS 119 -17.324 12.867 -28.452 911 HA HIS 119 HA HIS 119 -20.202 12.704 -29.015 912 HB2 HIS 119 2HB HIS 119 -19.848 13.674 -26.767 913 HB3 HIS 119 1HB HIS 119 -18.812 14.911 -27.471 914 HD1 HIS 119 1HD HIS 119 -19.935 16.951 -28.442 915 HD2 HIS 119 2HD HIS 119 -22.623 13.910 -27.527 916 HE1 HIS 119 1HE HIS 119 -22.224 17.952 -28.744 917 HE2 HIS 119 2HE HIS 119 -23.821 16.035 -28.390 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -9.117 -33.061 -2.794 2 H2 MET 1 H2 MET 1 -7.484 -32.623 -2.895 3 H3 MET 1 H3 MET 1 -8.553 -31.699 -1.959 4 HA MET 1 HA MET 1 -8.896 -33.498 -0.449 5 HB2 MET 1 2HB MET 1 -6.914 -34.978 -2.187 6 HB3 MET 1 1HB MET 1 -7.426 -35.516 -0.598 7 HG2 MET 1 2HG MET 1 -8.652 -36.750 -2.195 8 HG3 MET 1 1HG MET 1 -9.764 -35.594 -1.466 9 HE1 MET 1 2HE MET 1 -11.449 -36.127 -3.475 10 HE2 MET 1 3HE MET 1 -10.273 -37.216 -4.207 11 HE3 MET 1 1HE MET 1 -11.017 -35.947 -5.174 12 HA PRO 2 HA PRO 2 -4.427 -32.805 0.928 13 HB2 PRO 2 2HB PRO 2 -2.648 -32.145 -1.238 14 HB3 PRO 2 1HB PRO 2 -2.641 -33.582 -0.215 15 HG2 PRO 2 2HG PRO 2 -3.244 -33.609 -2.888 16 HG3 PRO 2 1HG PRO 2 -3.821 -34.816 -1.727 17 HD2 PRO 2 2HD PRO 2 -5.248 -32.433 -2.848 18 HD3 PRO 2 1HD PRO 2 -5.858 -34.078 -2.549 19 H THR 3 HN THR 3 -4.365 -30.942 1.974 20 HA THR 3 HA THR 3 -4.097 -28.456 0.418 21 HB THR 3 HB THR 3 -5.601 -28.511 2.992 22 HG1 THR 3 1HG THR 3 -6.444 -30.009 1.220 23 HG21 THR 3 3HG2 THR 3 -5.721 -26.728 0.564 24 HG22 THR 3 1HG2 THR 3 -4.944 -26.341 2.098 25 HG23 THR 3 2HG2 THR 3 -6.696 -26.535 2.021 26 H PHE 4 HN PHE 4 -2.795 -26.854 1.356 27 HA PHE 4 HA PHE 4 -1.146 -27.798 3.599 28 HB2 PHE 4 2HB PHE 4 -0.061 -27.871 1.318 29 HB3 PHE 4 1HB PHE 4 -0.181 -26.123 1.307 30 HD1 PHE 4 1HD PHE 4 1.086 -28.848 3.505 31 HD2 PHE 4 2HD PHE 4 1.658 -24.915 1.975 32 HE1 PHE 4 1HE PHE 4 3.237 -28.703 4.692 33 HE2 PHE 4 2HE PHE 4 3.809 -24.763 3.160 34 HZ PHE 4 HZ PHE 4 4.601 -26.659 4.520 35 H ASP 5 HN ASP 5 0.109 -25.909 4.620 36 HA ASP 5 HA ASP 5 -1.807 -23.950 5.443 37 HB2 ASP 5 2HB ASP 5 1.083 -24.379 6.187 38 HB3 ASP 5 1HB ASP 5 0.055 -23.164 6.925 39 H HIS 6 HN HIS 6 -1.084 -23.722 2.708 40 HA HIS 6 HA HIS 6 0.306 -21.123 2.723 41 HB2 HIS 6 2HB HIS 6 1.590 -22.867 1.527 42 HB3 HIS 6 1HB HIS 6 0.210 -23.155 0.475 43 HD1 HIS 6 1HD HIS 6 3.178 -21.012 0.880 44 HD2 HIS 6 2HD HIS 6 -0.358 -20.963 -1.322 45 HE1 HIS 6 1HE HIS 6 3.523 -19.300 -0.930 46 HE2 HIS 6 2HE HIS 6 1.318 -19.177 -2.155 47 H GLY 7 HN GLY 7 -1.204 -19.598 2.603 48 HA2 GLY 7 2HA GLY 7 -3.400 -20.000 0.663 49 HA3 GLY 7 1HA GLY 7 -3.687 -19.312 2.254 50 H ASN 8 HN ASN 8 -4.633 -17.695 0.634 51 HA ASN 8 HA ASN 8 -2.576 -15.683 -0.014 52 HB2 ASN 8 2HB ASN 8 -5.257 -16.136 -1.340 53 HB3 ASN 8 1HB ASN 8 -4.154 -14.826 -1.721 54 HD21 ASN 8 1HD2 ASN 8 -2.485 -15.174 -3.068 55 HD22 ASN 8 2HD2 ASN 8 -2.178 -16.688 -3.857 56 H LEU 9 HN LEU 9 -3.211 -13.493 0.273 57 HA LEU 9 HA LEU 9 -5.680 -12.906 1.682 58 HB2 LEU 9 2HB LEU 9 -4.081 -13.462 3.486 59 HB3 LEU 9 1HB LEU 9 -2.980 -12.242 2.872 60 HG LEU 9 HG LEU 9 -4.678 -10.499 3.379 61 HD11 LEU 9 1HD1 LEU 9 -6.168 -12.770 4.680 62 HD12 LEU 9 2HD1 LEU 9 -6.669 -11.904 3.227 63 HD13 LEU 9 3HD1 LEU 9 -6.590 -11.062 4.775 64 HD21 LEU 9 3HD2 LEU 9 -2.886 -11.026 4.966 65 HD22 LEU 9 1HD2 LEU 9 -3.923 -12.235 5.726 66 HD23 LEU 9 2HD2 LEU 9 -4.365 -10.530 5.787 67 H SER 10 HN SER 10 -6.497 -11.082 0.868 68 HA SER 10 HA SER 10 -4.789 -9.500 -0.880 69 HB2 SER 10 2HB SER 10 -7.786 -9.443 -0.474 70 HB3 SER 10 1HB SER 10 -6.897 -8.541 -1.703 71 HG SER 10 HG SER 10 -6.090 -10.741 -2.322 72 H LEU 11 HN LEU 11 -3.949 -7.605 -0.297 73 HA LEU 11 HA LEU 11 -5.050 -6.205 2.032 74 HB2 LEU 11 2HB LEU 11 -2.545 -5.645 0.438 75 HB3 LEU 11 1HB LEU 11 -3.041 -4.787 1.883 76 HG LEU 11 HG LEU 11 -2.323 -7.719 1.775 77 HD11 LEU 11 1HD1 LEU 11 -0.306 -7.049 2.991 78 HD12 LEU 11 2HD1 LEU 11 -0.765 -5.355 2.806 79 HD13 LEU 11 3HD1 LEU 11 -0.377 -6.324 1.385 80 HD21 LEU 11 3HD2 LEU 11 -2.850 -5.916 4.132 81 HD22 LEU 11 1HD2 LEU 11 -2.387 -7.618 4.194 82 HD23 LEU 11 2HD2 LEU 11 -3.951 -7.155 3.522 83 H GLY 12 HN GLY 12 -4.270 -5.673 -1.391 84 HA2 GLY 12 2HA GLY 12 -5.875 -4.740 -2.870 85 HA3 GLY 12 1HA GLY 12 -6.632 -3.938 -1.507 86 H GLU 13 HN GLU 13 -6.662 -2.116 -2.938 87 HA GLU 13 HA GLU 13 -4.265 -0.838 -3.810 88 HB2 GLU 13 2HB GLU 13 -7.123 0.107 -3.566 89 HB3 GLU 13 1HB GLU 13 -5.835 1.102 -4.230 90 HG2 GLU 13 2HG GLU 13 -6.518 -1.598 -5.340 91 HG3 GLU 13 1HG GLU 13 -7.317 -0.122 -5.873 92 H LEU 14 HN LEU 14 -2.860 0.093 -2.491 93 HA LEU 14 HA LEU 14 -3.902 1.638 -0.204 94 HB2 LEU 14 2HB LEU 14 -1.236 0.250 -0.494 95 HB3 LEU 14 1HB LEU 14 -1.698 1.266 0.861 96 HG LEU 14 HG LEU 14 -3.072 -1.307 0.089 97 HD11 LEU 14 1HD1 LEU 14 -0.811 -1.708 0.896 98 HD12 LEU 14 2HD1 LEU 14 -2.005 -2.233 2.081 99 HD13 LEU 14 3HD1 LEU 14 -1.133 -0.719 2.321 100 HD21 LEU 14 3HD2 LEU 14 -4.543 0.296 1.197 101 HD22 LEU 14 1HD2 LEU 14 -3.376 0.461 2.511 102 HD23 LEU 14 2HD2 LEU 14 -4.188 -1.081 2.243 103 H GLU 15 HN GLU 15 -3.025 3.674 0.179 104 HA GLU 15 HA GLU 15 -2.218 5.071 -2.183 105 HB2 GLU 15 2HB GLU 15 -2.366 6.009 0.684 106 HB3 GLU 15 1HB GLU 15 -2.118 7.054 -0.707 107 HG2 GLU 15 2HG GLU 15 -4.306 6.449 -1.573 108 HG3 GLU 15 1HG GLU 15 -4.559 5.366 -0.204 109 H LEU 16 HN LEU 16 -0.277 5.920 -2.738 110 HA LEU 16 HA LEU 16 2.069 4.848 -1.417 111 HB2 LEU 16 2HB LEU 16 1.902 4.936 -3.882 112 HB3 LEU 16 1HB LEU 16 1.817 6.684 -3.804 113 HG LEU 16 HG LEU 16 4.113 6.610 -2.704 114 HD11 LEU 16 1HD1 LEU 16 5.452 4.630 -3.108 115 HD12 LEU 16 2HD1 LEU 16 4.056 3.808 -3.805 116 HD13 LEU 16 3HD1 LEU 16 4.062 4.240 -2.095 117 HD21 LEU 16 3HD2 LEU 16 3.844 5.624 -5.541 118 HD22 LEU 16 1HD2 LEU 16 5.266 6.397 -4.843 119 HD23 LEU 16 2HD2 LEU 16 3.767 7.307 -5.019 120 H THR 17 HN THR 17 2.652 5.850 0.401 121 HA THR 17 HA THR 17 2.233 8.705 0.718 122 HB THR 17 HB THR 17 3.473 6.772 2.684 123 HG1 THR 17 1HG THR 17 1.322 6.153 2.045 124 HG21 THR 17 3HG2 THR 17 2.731 8.424 4.350 125 HG22 THR 17 1HG2 THR 17 2.136 9.457 3.054 126 HG23 THR 17 2HG2 THR 17 3.861 9.129 3.196 127 H VAL 18 HN VAL 18 3.722 10.050 -0.033 128 HA VAL 18 HA VAL 18 6.549 9.231 0.072 129 HB VAL 18 HB VAL 18 5.189 10.979 -1.985 130 HG11 VAL 18 1HG1 VAL 18 7.385 10.995 -3.111 131 HG12 VAL 18 2HG1 VAL 18 8.087 10.191 -1.706 132 HG13 VAL 18 3HG1 VAL 18 7.413 11.814 -1.550 133 HG21 VAL 18 3HG2 VAL 18 5.761 9.215 -3.564 134 HG22 VAL 18 1HG2 VAL 18 4.745 8.588 -2.268 135 HG23 VAL 18 2HG2 VAL 18 6.479 8.266 -2.261 136 H LEU 19 HN LEU 19 7.854 10.494 1.230 137 HA LEU 19 HA LEU 19 6.868 13.070 2.179 138 HB2 LEU 19 2HB LEU 19 9.368 11.523 2.876 139 HB3 LEU 19 1HB LEU 19 8.940 13.075 3.569 140 HG LEU 19 HG LEU 19 7.452 10.472 3.905 141 HD11 LEU 19 1HD1 LEU 19 9.486 10.672 5.238 142 HD12 LEU 19 2HD1 LEU 19 8.040 10.717 6.247 143 HD13 LEU 19 3HD1 LEU 19 8.913 12.208 5.890 144 HD21 LEU 19 3HD2 LEU 19 5.878 12.320 3.721 145 HD22 LEU 19 1HD2 LEU 19 6.760 13.208 4.962 146 HD23 LEU 19 2HD2 LEU 19 5.942 11.698 5.371 147 H TYR 20 HN TYR 20 7.471 14.943 1.345 148 HA TYR 20 HA TYR 20 9.753 14.980 -0.505 149 HB2 TYR 20 2HB TYR 20 8.426 16.689 -1.826 150 HB3 TYR 20 1HB TYR 20 7.831 15.036 -1.903 151 HD1 TYR 20 1HD TYR 20 5.789 14.403 -0.621 152 HD2 TYR 20 2HD TYR 20 7.080 18.447 -0.934 153 HE1 TYR 20 1HE TYR 20 3.552 15.162 0.063 154 HE2 TYR 20 2HE TYR 20 4.848 19.217 -0.247 155 HH TYR 20 HH TYR 20 2.417 18.192 -0.387 156 H ASP 21 HN ASP 21 10.139 17.477 -1.059 157 HA ASP 21 HA ASP 21 10.876 18.609 1.527 158 HB2 ASP 21 2HB ASP 21 12.590 18.241 -0.262 159 HB3 ASP 21 1HB ASP 21 11.762 19.444 -1.244 160 H GLU 22 HN GLU 22 9.776 20.249 2.379 161 HA GLU 22 HA GLU 22 7.398 21.130 1.127 162 HB2 GLU 22 2HB GLU 22 7.044 22.457 3.146 163 HB3 GLU 22 1HB GLU 22 7.564 20.824 3.548 164 HG2 GLU 22 2HG GLU 22 9.684 21.531 4.210 165 HG3 GLU 22 1HG GLU 22 9.540 23.069 3.362 166 H GLU 23 HN GLU 23 10.543 22.343 0.791 167 HA GLU 23 HA GLU 23 10.033 25.112 0.869 168 HB2 GLU 23 2HB GLU 23 12.189 23.591 -0.593 169 HB3 GLU 23 1HB GLU 23 12.185 25.323 -0.306 170 HG2 GLU 23 2HG GLU 23 12.274 23.171 1.789 171 HG3 GLU 23 1HG GLU 23 13.616 24.191 1.281 172 H ARG 24 HN ARG 24 10.762 23.183 -2.054 173 HA ARG 24 HA ARG 24 8.675 24.648 -3.478 174 HB2 ARG 24 2HB ARG 24 11.581 24.521 -4.234 175 HB3 ARG 24 1HB ARG 24 10.321 24.883 -5.390 176 HG2 ARG 24 2HG ARG 24 9.662 26.821 -3.973 177 HG3 ARG 24 1HG ARG 24 11.069 26.483 -2.961 178 HD2 ARG 24 2HD ARG 24 11.724 28.177 -4.485 179 HD3 ARG 24 1HD ARG 24 12.474 26.681 -5.037 180 HE ARG 24 HE ARG 24 9.928 27.428 -6.255 181 HH11 ARG 24 1HH1 ARG 24 13.414 27.181 -6.532 182 HH12 ARG 24 2HH1 ARG 24 13.433 27.499 -8.241 183 HH21 ARG 24 1HH2 ARG 24 9.942 27.827 -8.510 184 HH22 ARG 24 2HH2 ARG 24 11.456 27.844 -9.371 185 H TYR 25 HN TYR 25 9.722 21.718 -2.652 186 HA TYR 25 HA TYR 25 9.519 20.582 -5.353 187 HB2 TYR 25 2HB TYR 25 10.704 19.398 -2.837 188 HB3 TYR 25 1HB TYR 25 10.566 18.544 -4.370 189 HD1 TYR 25 2HD TYR 25 11.862 19.348 -6.340 190 HD2 TYR 25 1HD TYR 25 12.446 20.963 -2.448 191 HE1 TYR 25 2HE TYR 25 14.014 20.294 -7.060 192 HE2 TYR 25 1HE TYR 25 14.594 21.914 -3.160 193 HH TYR 25 HH TYR 25 15.537 22.101 -6.420 194 H ASP 26 HN ASP 26 7.362 20.464 -5.612 195 HA ASP 26 HA ASP 26 5.887 18.805 -3.683 196 HB2 ASP 26 2HB ASP 26 5.092 21.140 -3.862 197 HB3 ASP 26 1HB ASP 26 4.794 20.898 -5.578 198 H ILE 27 HN ILE 27 4.229 17.436 -4.568 199 HA ILE 27 HA ILE 27 5.279 16.075 -6.933 200 HB ILE 27 HB ILE 27 3.162 15.148 -4.983 201 HG12 ILE 27 2HG1 ILE 27 6.095 14.404 -5.144 202 HG13 ILE 27 1HG1 ILE 27 5.383 15.452 -3.921 203 HG21 ILE 27 1HG2 ILE 27 3.573 12.927 -5.955 204 HG22 ILE 27 2HG2 ILE 27 4.684 13.653 -7.118 205 HG23 ILE 27 3HG2 ILE 27 2.970 14.072 -7.154 206 HD11 ILE 27 3HD1 ILE 27 4.046 13.610 -3.093 207 HD12 ILE 27 1HD1 ILE 27 5.757 13.184 -3.095 208 HD13 ILE 27 2HD1 ILE 27 4.689 12.552 -4.350 209 H VAL 28 HN VAL 28 4.423 16.594 -8.848 210 HA VAL 28 HA VAL 28 1.750 17.672 -9.058 211 HB VAL 28 HB VAL 28 3.722 16.879 -11.218 212 HG11 VAL 28 1HG1 VAL 28 1.449 16.788 -12.070 213 HG12 VAL 28 2HG1 VAL 28 2.292 18.189 -12.730 214 HG13 VAL 28 3HG1 VAL 28 1.122 18.399 -11.427 215 HG21 VAL 28 3HG2 VAL 28 4.495 18.724 -9.832 216 HG22 VAL 28 1HG2 VAL 28 2.978 19.583 -10.109 217 HG23 VAL 28 2HG2 VAL 28 4.083 19.284 -11.452 218 H GLU 29 HN GLU 29 3.418 14.744 -10.183 219 HA GLU 29 HA GLU 29 0.909 13.292 -9.869 220 HB2 GLU 29 2HB GLU 29 2.562 13.372 -12.373 221 HB3 GLU 29 1HB GLU 29 1.591 11.960 -11.983 222 HG2 GLU 29 2HG GLU 29 -0.363 13.586 -11.767 223 HG3 GLU 29 1HG GLU 29 0.684 14.748 -12.579 224 H GLN 30 HN GLN 30 1.164 11.041 -9.583 225 HA GLN 30 HA GLN 30 3.783 9.894 -9.246 226 HB2 GLN 30 2HB GLN 30 3.555 9.424 -6.860 227 HB3 GLN 30 1HB GLN 30 3.497 11.161 -7.121 228 HG2 GLN 30 2HG GLN 30 1.134 11.211 -6.817 229 HG3 GLN 30 1HG GLN 30 1.039 9.453 -6.822 230 HE21 GLN 30 1HE2 GLN 30 1.695 8.307 -5.020 231 HE22 GLN 30 2HE2 GLN 30 1.906 9.054 -3.473 232 H THR 31 HN THR 31 3.476 7.597 -8.322 233 HA THR 31 HA THR 31 1.145 6.325 -9.406 234 HB THR 31 HB THR 31 3.140 5.177 -7.431 235 HG1 THR 31 1HG THR 31 3.230 4.993 -10.279 236 HG21 THR 31 3HG2 THR 31 1.105 3.847 -7.727 237 HG22 THR 31 1HG2 THR 31 2.495 3.033 -8.443 238 HG23 THR 31 2HG2 THR 31 1.335 3.869 -9.476 239 H GLU 32 HN GLU 32 -0.748 6.875 -8.456 240 HA GLU 32 HA GLU 32 -0.898 7.993 -5.882 241 HB2 GLU 32 2HB GLU 32 -3.105 6.902 -7.633 242 HB3 GLU 32 1HB GLU 32 -3.352 7.899 -6.204 243 HG2 GLU 32 2HG GLU 32 -2.089 9.710 -7.266 244 HG3 GLU 32 1HG GLU 32 -1.886 8.713 -8.704 245 H THR 33 HN THR 33 -2.109 4.829 -7.023 246 HA THR 33 HA THR 33 -1.696 3.834 -4.290 247 HB THR 33 HB THR 33 -3.795 2.470 -4.527 248 HG1 THR 33 1HG THR 33 -4.568 2.508 -6.499 249 HG21 THR 33 3HG2 THR 33 -5.319 4.286 -3.927 250 HG22 THR 33 1HG2 THR 33 -4.166 5.467 -4.549 251 HG23 THR 33 2HG2 THR 33 -3.753 4.488 -3.141 252 H VAL 34 HN VAL 34 -1.170 1.648 -4.129 253 HA VAL 34 HA VAL 34 -0.936 0.154 -6.652 254 HB VAL 34 HB VAL 34 1.099 -0.981 -5.684 255 HG11 VAL 34 1HG1 VAL 34 1.305 0.665 -7.461 256 HG12 VAL 34 2HG1 VAL 34 2.656 0.793 -6.337 257 HG13 VAL 34 3HG1 VAL 34 1.340 1.967 -6.274 258 HG21 VAL 34 3HG2 VAL 34 0.827 -0.338 -3.357 259 HG22 VAL 34 1HG2 VAL 34 1.030 1.361 -3.783 260 HG23 VAL 34 2HG2 VAL 34 2.376 0.237 -3.973 261 H GLN 35 HN GLN 35 -1.203 -2.109 -6.463 262 HA GLN 35 HA GLN 35 -2.783 -2.842 -4.109 263 HB2 GLN 35 2HB GLN 35 -3.879 -3.067 -6.303 264 HB3 GLN 35 1HB GLN 35 -2.612 -4.170 -6.821 265 HG2 GLN 35 2HG GLN 35 -3.307 -5.820 -5.255 266 HG3 GLN 35 1HG GLN 35 -4.417 -4.692 -4.476 267 HE21 GLN 35 1HE2 GLN 35 -6.163 -6.050 -4.814 268 HE22 GLN 35 2HE2 GLN 35 -6.887 -6.247 -6.375 269 H VAL 36 HN VAL 36 -2.036 -4.247 -2.676 270 HA VAL 36 HA VAL 36 0.171 -6.032 -3.460 271 HB VAL 36 HB VAL 36 1.145 -4.253 -2.148 272 HG11 VAL 36 1HG1 VAL 36 -0.824 -3.441 -1.010 273 HG12 VAL 36 2HG1 VAL 36 0.445 -3.801 0.158 274 HG13 VAL 36 3HG1 VAL 36 -0.909 -4.913 -0.043 275 HG21 VAL 36 3HG2 VAL 36 2.106 -5.533 -0.295 276 HG22 VAL 36 1HG2 VAL 36 2.036 -6.480 -1.779 277 HG23 VAL 36 2HG2 VAL 36 0.855 -6.761 -0.500 278 H ASP 37 HN ASP 37 0.021 -8.092 -2.790 279 HA ASP 37 HA ASP 37 -2.068 -8.802 -0.845 280 HB2 ASP 37 2HB ASP 37 -1.497 -10.255 -3.442 281 HB3 ASP 37 1HB ASP 37 -2.558 -10.850 -2.172 282 H LEU 38 HN LEU 38 -1.660 -10.914 0.182 283 HA LEU 38 HA LEU 38 1.236 -11.473 0.272 284 HB2 LEU 38 2HB LEU 38 -0.729 -11.426 2.564 285 HB3 LEU 38 1HB LEU 38 0.929 -11.980 2.687 286 HG LEU 38 HG LEU 38 0.084 -9.172 1.969 287 HD11 LEU 38 1HD1 LEU 38 0.945 -8.584 4.186 288 HD12 LEU 38 2HD1 LEU 38 1.224 -10.291 4.527 289 HD13 LEU 38 3HD1 LEU 38 -0.419 -9.696 4.291 290 HD21 LEU 38 3HD2 LEU 38 2.454 -8.634 2.256 291 HD22 LEU 38 1HD2 LEU 38 2.205 -9.792 0.949 292 HD23 LEU 38 2HD2 LEU 38 2.808 -10.344 2.512 293 H GLU 39 HN GLU 39 1.886 -13.533 0.286 294 HA GLU 39 HA GLU 39 -0.144 -15.655 0.553 295 HB2 GLU 39 2HB GLU 39 2.150 -15.393 -1.354 296 HB3 GLU 39 1HB GLU 39 1.654 -16.989 -0.819 297 HG2 GLU 39 2HG GLU 39 -0.637 -16.466 -1.625 298 HG3 GLU 39 1HG GLU 39 0.007 -14.974 -2.303 299 H GLY 40 HN GLY 40 0.772 -17.714 1.330 300 HA2 GLY 40 2HA GLY 40 2.995 -18.678 2.102 301 HA3 GLY 40 1HA GLY 40 3.081 -17.244 3.113 302 HA PRO 41 HA PRO 41 1.507 -20.623 5.822 303 HB2 PRO 41 2HB PRO 41 2.279 -19.190 8.078 304 HB3 PRO 41 1HB PRO 41 3.244 -20.430 7.272 305 HG2 PRO 41 2HG PRO 41 3.388 -17.459 7.035 306 HG3 PRO 41 1HG PRO 41 4.700 -18.653 7.048 307 HD2 PRO 41 2HD PRO 41 3.880 -17.504 4.773 308 HD3 PRO 41 1HD PRO 41 4.383 -19.206 4.816 309 H ARG 42 HN ARG 42 -0.576 -20.641 6.157 310 HA ARG 42 HA ARG 42 -2.238 -18.396 6.139 311 HB2 ARG 42 2HB ARG 42 -4.030 -19.928 6.884 312 HB3 ARG 42 1HB ARG 42 -3.099 -20.570 5.540 313 HG2 ARG 42 2HG ARG 42 -1.905 -22.050 7.015 314 HG3 ARG 42 1HG ARG 42 -2.698 -21.339 8.422 315 HD2 ARG 42 2HD ARG 42 -4.851 -22.134 7.648 316 HD3 ARG 42 1HD ARG 42 -4.115 -22.763 6.174 317 HE ARG 42 HE ARG 42 -2.741 -24.129 7.961 318 HH11 ARG 42 1HH1 ARG 42 -6.170 -23.396 7.977 319 HH12 ARG 42 2HH1 ARG 42 -6.609 -24.853 8.815 320 HH21 ARG 42 1HH2 ARG 42 -3.310 -26.044 9.031 321 HH22 ARG 42 2HH2 ARG 42 -4.979 -26.382 9.396 322 H GLY 43 HN GLY 43 -0.648 -20.040 8.792 323 HA2 GLY 43 2HA GLY 43 -2.137 -19.080 10.947 324 HA3 GLY 43 1HA GLY 43 -0.420 -19.451 11.000 325 H VAL 44 HN VAL 44 0.681 -17.574 9.368 326 HA VAL 44 HA VAL 44 0.724 -15.284 11.032 327 HB VAL 44 HB VAL 44 1.758 -15.538 8.199 328 HG11 VAL 44 1HG1 VAL 44 2.490 -13.603 10.397 329 HG12 VAL 44 2HG1 VAL 44 1.573 -13.222 8.939 330 HG13 VAL 44 3HG1 VAL 44 3.263 -13.709 8.815 331 HG21 VAL 44 3HG2 VAL 44 2.710 -17.262 9.622 332 HG22 VAL 44 1HG2 VAL 44 3.156 -16.050 10.822 333 HG23 VAL 44 2HG2 VAL 44 3.925 -16.041 9.234 334 H LEU 45 HN LEU 45 -0.751 -15.946 7.886 335 HA LEU 45 HA LEU 45 -1.779 -13.393 7.361 336 HB2 LEU 45 2HB LEU 45 -2.907 -16.091 6.589 337 HB3 LEU 45 1HB LEU 45 -3.393 -14.560 5.890 338 HG LEU 45 HG LEU 45 -0.635 -15.768 5.688 339 HD11 LEU 45 1HD1 LEU 45 -2.823 -15.510 3.632 340 HD12 LEU 45 2HD1 LEU 45 -2.300 -17.006 4.406 341 HD13 LEU 45 3HD1 LEU 45 -1.197 -16.129 3.345 342 HD21 LEU 45 3HD2 LEU 45 -0.225 -13.982 4.061 343 HD22 LEU 45 1HD2 LEU 45 -0.571 -13.339 5.667 344 HD23 LEU 45 2HD2 LEU 45 -1.815 -13.302 4.417 345 H THR 46 HN THR 46 -3.025 -16.048 9.295 346 HA THR 46 HA THR 46 -5.597 -14.952 9.759 347 HB THR 46 HB THR 46 -4.069 -16.912 11.491 348 HG1 THR 46 1HG THR 46 -4.286 -17.627 9.304 349 HG21 THR 46 3HG2 THR 46 -6.271 -17.646 12.226 350 HG22 THR 46 1HG2 THR 46 -7.038 -16.440 11.193 351 HG23 THR 46 2HG2 THR 46 -6.057 -15.928 12.565 352 H VAL 47 HN VAL 47 -2.534 -14.800 11.541 353 HA VAL 47 HA VAL 47 -3.512 -13.426 13.798 354 HB VAL 47 HB VAL 47 -0.729 -13.366 12.614 355 HG11 VAL 47 1HG1 VAL 47 -1.073 -11.504 14.144 356 HG12 VAL 47 2HG1 VAL 47 0.003 -12.706 14.859 357 HG13 VAL 47 3HG1 VAL 47 -1.681 -12.612 15.374 358 HG21 VAL 47 3HG2 VAL 47 -1.909 -15.090 14.789 359 HG22 VAL 47 1HG2 VAL 47 -0.218 -15.073 14.288 360 HG23 VAL 47 2HG2 VAL 47 -1.463 -15.621 13.166 361 H PHE 48 HN PHE 48 -2.114 -12.260 10.755 362 HA PHE 48 HA PHE 48 -2.159 -9.507 11.413 363 HB2 PHE 48 2HB PHE 48 -0.851 -10.580 9.541 364 HB3 PHE 48 1HB PHE 48 -2.360 -10.714 8.646 365 HD1 PHE 48 2HD PHE 48 -0.011 -8.301 10.168 366 HD2 PHE 48 1HD PHE 48 -3.200 -8.899 7.418 367 HE1 PHE 48 2HE PHE 48 0.330 -6.028 9.292 368 HE2 PHE 48 1HE PHE 48 -2.867 -6.626 6.532 369 HZ PHE 48 HZ PHE 48 -1.098 -5.191 7.471 370 H ARG 49 HN ARG 49 -4.557 -11.706 10.233 371 HA ARG 49 HA ARG 49 -6.422 -9.851 9.201 372 HB2 ARG 49 2HB ARG 49 -6.159 -12.603 9.322 373 HB3 ARG 49 1HB ARG 49 -7.553 -12.293 10.343 374 HG2 ARG 49 2HG ARG 49 -7.483 -10.984 7.687 375 HG3 ARG 49 1HG ARG 49 -7.745 -12.726 7.739 376 HD2 ARG 49 2HD ARG 49 -9.892 -11.801 7.757 377 HD3 ARG 49 1HD ARG 49 -9.580 -12.224 9.439 378 HE ARG 49 HE ARG 49 -8.941 -9.762 9.655 379 HH11 ARG 49 1HH1 ARG 49 -11.367 -11.013 7.468 380 HH12 ARG 49 2HH1 ARG 49 -12.277 -9.532 7.411 381 HH21 ARG 49 1HH2 ARG 49 -10.127 -7.809 9.618 382 HH22 ARG 49 2HH2 ARG 49 -11.575 -7.710 8.662 383 H PHE 50 HN PHE 50 -5.644 -10.859 12.429 384 HA PHE 50 HA PHE 50 -8.182 -10.237 13.584 385 HB2 PHE 50 2HB PHE 50 -5.469 -10.825 14.748 386 HB3 PHE 50 1HB PHE 50 -6.864 -10.450 15.739 387 HD1 PHE 50 1HD PHE 50 -9.027 -11.892 14.474 388 HD2 PHE 50 2HD PHE 50 -4.971 -13.044 15.057 389 HE1 PHE 50 1HE PHE 50 -9.699 -14.257 14.435 390 HE2 PHE 50 2HE PHE 50 -5.633 -15.412 15.015 391 HZ PHE 50 HZ PHE 50 -8.001 -16.021 14.704 392 H ALA 51 HN ALA 51 -5.249 -8.476 12.979 393 HA ALA 51 HA ALA 51 -5.803 -6.443 14.946 394 HB1 ALA 51 1HB ALA 51 -3.718 -5.451 14.246 395 HB2 ALA 51 2HB ALA 51 -3.645 -6.514 12.841 396 HB3 ALA 51 3HB ALA 51 -3.499 -7.188 14.464 397 H ARG 52 HN ARG 52 -5.738 -4.140 14.308 398 HA ARG 52 HA ARG 52 -7.564 -3.596 12.143 399 HB2 ARG 52 2HB ARG 52 -6.188 -1.619 13.948 400 HB3 ARG 52 1HB ARG 52 -7.666 -1.406 13.050 401 HG2 ARG 52 2HG ARG 52 -8.744 -3.101 14.509 402 HG3 ARG 52 1HG ARG 52 -7.264 -3.125 15.474 403 HD2 ARG 52 2HD ARG 52 -7.559 -0.611 15.697 404 HD3 ARG 52 1HD ARG 52 -9.178 -0.844 15.039 405 HE ARG 52 HE ARG 52 -8.316 -2.266 17.470 406 HH11 ARG 52 1HH1 ARG 52 -10.553 -0.132 15.805 407 HH12 ARG 52 2HH1 ARG 52 -11.628 -0.007 17.164 408 HH21 ARG 52 1HH2 ARG 52 -9.696 -2.073 19.250 409 HH22 ARG 52 2HH2 ARG 52 -11.129 -1.090 19.139 410 HA PRO 53 HA PRO 53 -4.596 -2.223 9.130 411 HB2 PRO 53 2HB PRO 53 -5.549 0.345 8.593 412 HB3 PRO 53 1HB PRO 53 -6.031 -1.140 7.775 413 HG2 PRO 53 2HG PRO 53 -7.406 0.365 9.941 414 HG3 PRO 53 1HG PRO 53 -8.100 -0.574 8.606 415 HD2 PRO 53 2HD PRO 53 -8.039 -1.498 11.143 416 HD3 PRO 53 1HD PRO 53 -7.891 -2.571 9.738 417 H SER 54 HN SER 54 -2.628 -1.680 9.664 418 HA SER 54 HA SER 54 -2.022 0.894 10.804 419 HB2 SER 54 2HB SER 54 -1.491 -1.767 12.059 420 HB3 SER 54 1HB SER 54 -0.460 -0.395 12.377 421 HG SER 54 HG SER 54 -3.148 0.138 12.597 422 H TYR 55 HN TYR 55 -1.700 -0.561 8.263 423 HA TYR 55 HA TYR 55 1.225 -0.667 8.113 424 HB2 TYR 55 2HB TYR 55 0.919 -2.289 6.219 425 HB3 TYR 55 1HB TYR 55 0.440 -2.903 7.794 426 HD1 TYR 55 1HD TYR 55 -2.093 -2.769 8.363 427 HD2 TYR 55 2HD TYR 55 -0.544 -2.455 4.413 428 HE1 TYR 55 1HE TYR 55 -4.289 -3.399 7.458 429 HE2 TYR 55 2HE TYR 55 -2.741 -3.077 3.500 430 HH TYR 55 HH TYR 55 -5.543 -3.011 5.237 431 H GLU 56 HN GLU 56 2.192 0.571 6.636 432 HA GLU 56 HA GLU 56 0.442 2.089 4.822 433 HB2 GLU 56 2HB GLU 56 2.793 3.072 6.436 434 HB3 GLU 56 1HB GLU 56 2.127 3.971 5.084 435 HG2 GLU 56 2HG GLU 56 1.090 4.973 6.857 436 HG3 GLU 56 1HG GLU 56 -0.108 3.771 6.387 437 H VAL 57 HN VAL 57 1.268 2.672 2.825 438 HA VAL 57 HA VAL 57 3.731 1.320 1.971 439 HB VAL 57 HB VAL 57 1.511 2.584 0.336 440 HG11 VAL 57 1HG1 VAL 57 3.954 1.070 -0.582 441 HG12 VAL 57 2HG1 VAL 57 3.666 2.797 -0.787 442 HG13 VAL 57 3HG1 VAL 57 2.635 1.629 -1.614 443 HG21 VAL 57 3HG2 VAL 57 0.991 0.286 -0.337 444 HG22 VAL 57 1HG2 VAL 57 0.846 0.495 1.409 445 HG23 VAL 57 2HG2 VAL 57 2.259 -0.314 0.731 446 H PHE 58 HN PHE 58 5.540 2.539 1.607 447 HA PHE 58 HA PHE 58 5.218 5.450 1.586 448 HB2 PHE 58 2HB PHE 58 5.372 4.965 3.917 449 HB3 PHE 58 1HB PHE 58 6.688 3.827 3.664 450 HD1 PHE 58 1HD PHE 58 5.802 7.420 3.498 451 HD2 PHE 58 2HD PHE 58 8.906 4.520 3.797 452 HE1 PHE 58 1HE PHE 58 7.425 9.204 3.966 453 HE2 PHE 58 2HE PHE 58 10.535 6.303 4.262 454 HZ PHE 58 HZ PHE 58 9.794 8.650 4.345 455 H VAL 59 HN VAL 59 6.884 6.590 0.682 456 HA VAL 59 HA VAL 59 9.404 5.238 0.071 457 HB VAL 59 HB VAL 59 7.926 6.854 -2.013 458 HG11 VAL 59 1HG1 VAL 59 10.530 5.347 -2.156 459 HG12 VAL 59 2HG1 VAL 59 10.335 7.099 -2.155 460 HG13 VAL 59 3HG1 VAL 59 9.738 6.146 -3.513 461 HG21 VAL 59 3HG2 VAL 59 7.713 4.764 -3.282 462 HG22 VAL 59 1HG2 VAL 59 6.867 4.667 -1.738 463 HG23 VAL 59 2HG2 VAL 59 8.431 3.880 -1.937 464 H ASP 60 HN ASP 60 11.132 6.613 0.260 465 HA ASP 60 HA ASP 60 10.497 9.327 1.189 466 HB2 ASP 60 2HB ASP 60 11.826 7.816 2.707 467 HB3 ASP 60 1HB ASP 60 13.115 7.848 1.508 468 H LEU 61 HN LEU 61 10.819 10.923 -0.174 469 HA LEU 61 HA LEU 61 12.943 10.700 -2.186 470 HB2 LEU 61 2HB LEU 61 10.084 11.558 -2.653 471 HB3 LEU 61 1HB LEU 61 11.378 11.776 -3.819 472 HG LEU 61 HG LEU 61 10.585 9.071 -2.749 473 HD11 LEU 61 1HD1 LEU 61 8.670 10.084 -3.879 474 HD12 LEU 61 2HD1 LEU 61 9.345 8.746 -4.812 475 HD13 LEU 61 3HD1 LEU 61 9.678 10.413 -5.288 476 HD21 LEU 61 3HD2 LEU 61 12.175 9.944 -5.159 477 HD22 LEU 61 1HD2 LEU 61 11.751 8.277 -4.757 478 HD23 LEU 61 2HD2 LEU 61 12.817 9.197 -3.694 479 H THR 62 HN THR 62 12.943 12.006 0.319 480 HA THR 62 HA THR 62 12.393 14.763 0.164 481 HB THR 62 HB THR 62 14.108 14.922 2.037 482 HG1 THR 62 1HG THR 62 14.035 12.070 1.988 483 HG21 THR 62 3HG2 THR 62 12.679 13.742 3.652 484 HG22 THR 62 1HG2 THR 62 11.870 12.911 2.321 485 HG23 THR 62 2HG2 THR 62 11.725 14.661 2.488 486 H GLU 63 HN GLU 63 15.227 12.841 -0.675 487 HA GLU 63 HA GLU 63 16.720 15.134 -1.554 488 HB2 GLU 63 2HB GLU 63 17.203 12.174 -1.762 489 HB3 GLU 63 1HB GLU 63 18.337 13.400 -2.314 490 HG2 GLU 63 2HG GLU 63 17.321 13.288 0.501 491 HG3 GLU 63 1HG GLU 63 18.756 12.427 -0.036 492 H ALA 64 HN ALA 64 15.944 12.151 -3.266 493 HA ALA 64 HA ALA 64 15.418 11.695 -5.433 494 HB1 ALA 64 1HB ALA 64 13.679 13.035 -6.457 495 HB2 ALA 64 2HB ALA 64 13.974 14.343 -5.311 496 HB3 ALA 64 3HB ALA 64 13.324 12.805 -4.745 497 H GLY 65 HN GLY 65 15.017 13.560 -7.598 498 HA2 GLY 65 2HA GLY 65 17.415 15.175 -7.749 499 HA3 GLY 65 1HA GLY 65 17.324 13.824 -8.875 500 H GLU 66 HN GLU 66 17.068 14.913 -10.750 501 HA GLU 66 HA GLU 66 14.786 16.736 -10.952 502 HB2 GLU 66 2HB GLU 66 17.179 16.481 -12.774 503 HB3 GLU 66 1HB GLU 66 15.853 17.597 -12.988 504 HG2 GLU 66 2HG GLU 66 17.555 18.890 -12.076 505 HG3 GLU 66 1HG GLU 66 16.488 18.548 -10.716 506 H GLY 67 HN GLY 67 13.317 16.461 -12.620 507 HA2 GLY 67 2HA GLY 67 12.177 15.346 -14.301 508 HA3 GLY 67 1HA GLY 67 13.570 14.296 -14.503 509 H SER 68 HN SER 68 10.898 13.409 -14.573 510 HA SER 68 HA SER 68 10.050 12.333 -12.105 511 HB2 SER 68 2HB SER 68 8.542 12.616 -14.026 512 HB3 SER 68 1HB SER 68 9.428 11.375 -14.905 513 HG SER 68 HG SER 68 7.377 10.896 -13.566 514 H HIS 69 HN HIS 69 10.375 10.411 -11.179 515 HA HIS 69 HA HIS 69 12.338 8.609 -12.405 516 HB2 HIS 69 2HB HIS 69 12.565 10.030 -9.795 517 HB3 HIS 69 1HB HIS 69 13.190 8.388 -9.903 518 HD1 HIS 69 1HD HIS 69 13.720 11.840 -11.327 519 HD2 HIS 69 2HD HIS 69 15.546 8.105 -11.308 520 HE1 HIS 69 1HE HIS 69 15.984 12.188 -12.352 521 HE2 HIS 69 2HE HIS 69 16.939 9.869 -12.585 522 H THR 70 HN THR 70 12.086 6.483 -12.012 523 HA THR 70 HA THR 70 9.734 5.717 -10.400 524 HB THR 70 HB THR 70 10.980 3.930 -12.468 525 HG1 THR 70 1HG THR 70 9.215 6.119 -12.932 526 HG21 THR 70 3HG2 THR 70 8.735 3.055 -12.661 527 HG22 THR 70 1HG2 THR 70 8.112 4.326 -11.607 528 HG23 THR 70 2HG2 THR 70 9.187 3.094 -10.959 529 H VAL 71 HN VAL 71 10.256 4.792 -8.502 530 HA VAL 71 HA VAL 71 12.793 3.288 -8.328 531 HB VAL 71 HB VAL 71 13.084 4.100 -6.020 532 HG11 VAL 71 1HG1 VAL 71 14.238 5.236 -7.832 533 HG12 VAL 71 2HG1 VAL 71 13.785 6.383 -6.570 534 HG13 VAL 71 3HG1 VAL 71 12.852 6.304 -8.067 535 HG21 VAL 71 3HG2 VAL 71 11.768 5.980 -5.185 536 HG22 VAL 71 1HG2 VAL 71 10.742 4.581 -5.500 537 HG23 VAL 71 2HG2 VAL 71 10.764 5.932 -6.634 538 H ASP 72 HN ASP 72 12.877 1.768 -6.466 539 HA ASP 72 HA ASP 72 10.597 0.088 -6.354 540 HB2 ASP 72 2HB ASP 72 13.173 0.182 -4.807 541 HB3 ASP 72 1HB ASP 72 11.888 -0.920 -4.328 542 H VAL 73 HN VAL 73 9.094 -0.250 -4.749 543 HA VAL 73 HA VAL 73 8.615 2.065 -3.053 544 HB VAL 73 HB VAL 73 6.856 -0.316 -3.666 545 HG11 VAL 73 1HG1 VAL 73 5.054 1.016 -2.654 546 HG12 VAL 73 2HG1 VAL 73 6.241 2.226 -2.168 547 HG13 VAL 73 3HG1 VAL 73 6.310 0.599 -1.488 548 HG21 VAL 73 3HG2 VAL 73 7.232 1.110 -5.602 549 HG22 VAL 73 1HG2 VAL 73 6.777 2.531 -4.660 550 HG23 VAL 73 2HG2 VAL 73 5.577 1.287 -5.016 551 H GLU 74 HN GLU 74 8.786 2.106 -0.921 552 HA GLU 74 HA GLU 74 9.763 -0.230 0.500 553 HB2 GLU 74 2HB GLU 74 9.967 2.640 0.778 554 HB3 GLU 74 1HB GLU 74 9.430 1.918 2.287 555 HG2 GLU 74 2HG GLU 74 11.879 1.057 0.765 556 HG3 GLU 74 1HG GLU 74 11.880 2.188 2.119 557 H HIS 75 HN HIS 75 8.770 -0.925 2.529 558 HA HIS 75 HA HIS 75 5.904 -0.307 2.709 559 HB2 HIS 75 2HB HIS 75 7.026 -3.115 2.506 560 HB3 HIS 75 1HB HIS 75 5.350 -2.713 2.864 561 HD1 HIS 75 1HD HIS 75 3.922 -1.748 0.879 562 HD2 HIS 75 2HD HIS 75 7.737 -3.017 -0.172 563 HE1 HIS 75 1HE HIS 75 3.915 -1.893 -1.627 564 HE2 HIS 75 2HE HIS 75 6.272 -2.542 -2.256 565 H ARG 76 HN ARG 76 4.969 -0.707 4.733 566 HA ARG 76 HA ARG 76 6.554 -1.891 6.843 567 HB2 ARG 76 2HB ARG 76 6.303 0.072 8.343 568 HB3 ARG 76 1HB ARG 76 7.355 0.380 6.972 569 HG2 ARG 76 2HG ARG 76 5.393 1.470 5.842 570 HG3 ARG 76 1HG ARG 76 4.540 1.347 7.383 571 HD2 ARG 76 2HD ARG 76 5.606 3.546 7.080 572 HD3 ARG 76 1HD ARG 76 6.258 2.675 8.469 573 HE ARG 76 HE ARG 76 7.722 2.350 5.984 574 HH11 ARG 76 1HH1 ARG 76 7.424 4.179 8.971 575 HH12 ARG 76 2HH1 ARG 76 9.095 4.671 8.966 576 HH21 ARG 76 1HH2 ARG 76 9.877 3.000 5.975 577 HH22 ARG 76 2HH2 ARG 76 10.494 3.988 7.263 578 H GLY 77 HN GLY 77 5.261 -2.050 8.886 579 HA2 GLY 77 2HA GLY 77 3.149 -2.233 9.964 580 HA3 GLY 77 1HA GLY 77 2.367 -2.020 8.402 581 H PHE 78 HN PHE 78 3.106 -3.814 6.778 582 HA PHE 78 HA PHE 78 2.867 -6.394 8.140 583 HB2 PHE 78 2HB PHE 78 2.355 -7.313 5.893 584 HB3 PHE 78 1HB PHE 78 1.237 -6.043 6.367 585 HD1 PHE 78 2HD PHE 78 1.405 -3.802 5.322 586 HD2 PHE 78 1HD PHE 78 3.725 -7.106 3.974 587 HE1 PHE 78 2HE PHE 78 1.847 -2.625 3.208 588 HE2 PHE 78 1HE PHE 78 4.166 -5.936 1.856 589 HZ PHE 78 HZ PHE 78 3.228 -3.691 1.469 590 HA PRO 79 HA PRO 79 7.143 -7.079 7.360 591 HB2 PRO 79 2HB PRO 79 6.978 -9.839 7.982 592 HB3 PRO 79 1HB PRO 79 7.340 -8.514 9.086 593 HG2 PRO 79 2HG PRO 79 5.052 -10.109 9.154 594 HG3 PRO 79 1HG PRO 79 5.254 -8.552 9.971 595 HD2 PRO 79 2HD PRO 79 3.882 -9.182 7.396 596 HD3 PRO 79 1HD PRO 79 3.463 -7.981 8.638 597 H GLY 80 HN GLY 80 8.551 -7.810 5.831 598 HA2 GLY 80 2HA GLY 80 7.476 -9.049 3.452 599 HA3 GLY 80 1HA GLY 80 9.137 -8.527 3.704 600 H ASP 81 HN ASP 81 7.698 -10.541 6.073 601 HA ASP 81 HA ASP 81 9.562 -12.671 5.625 602 HB2 ASP 81 2HB ASP 81 8.912 -12.120 7.893 603 HB3 ASP 81 1HB ASP 81 7.221 -12.375 7.507 604 H LEU 82 HN LEU 82 6.269 -11.970 4.875 605 HA LEU 82 HA LEU 82 5.645 -14.657 3.997 606 HB2 LEU 82 2HB LEU 82 4.075 -12.087 3.773 607 HB3 LEU 82 1HB LEU 82 3.469 -13.688 3.399 608 HG LEU 82 HG LEU 82 4.398 -12.839 6.143 609 HD11 LEU 82 1HD1 LEU 82 2.018 -12.756 6.718 610 HD12 LEU 82 2HD1 LEU 82 1.604 -13.047 5.028 611 HD13 LEU 82 3HD1 LEU 82 2.434 -11.560 5.487 612 HD21 LEU 82 3HD2 LEU 82 4.545 -15.245 5.713 613 HD22 LEU 82 1HD2 LEU 82 2.859 -15.258 5.200 614 HD23 LEU 82 2HD2 LEU 82 3.266 -14.880 6.876 615 H ALA 83 HN ALA 83 4.443 -14.692 1.751 616 HA ALA 83 HA ALA 83 6.337 -13.731 -0.219 617 HB1 ALA 83 1HB ALA 83 5.416 -15.989 -0.434 618 HB2 ALA 83 2HB ALA 83 4.997 -14.992 -1.829 619 HB3 ALA 83 3HB ALA 83 3.794 -15.316 -0.579 620 H VAL 84 HN VAL 84 6.180 -11.679 -0.851 621 HA VAL 84 HA VAL 84 3.611 -10.312 -0.581 622 HB VAL 84 HB VAL 84 6.329 -9.130 -1.205 623 HG11 VAL 84 1HG1 VAL 84 4.493 -7.700 -1.885 624 HG12 VAL 84 2HG1 VAL 84 5.304 -7.022 -0.473 625 HG13 VAL 84 3HG1 VAL 84 3.757 -7.849 -0.290 626 HG21 VAL 84 3HG2 VAL 84 4.907 -9.355 1.448 627 HG22 VAL 84 1HG2 VAL 84 6.421 -8.497 1.155 628 HG23 VAL 84 2HG2 VAL 84 6.347 -10.249 0.965 629 H THR 85 HN THR 85 2.351 -9.971 -2.280 630 HA THR 85 HA THR 85 3.564 -10.031 -4.971 631 HB THR 85 HB THR 85 0.632 -10.365 -4.418 632 HG1 THR 85 1HG THR 85 2.081 -11.977 -3.302 633 HG21 THR 85 3HG2 THR 85 0.690 -11.569 -6.568 634 HG22 THR 85 1HG2 THR 85 2.426 -11.254 -6.677 635 HG23 THR 85 2HG2 THR 85 1.281 -9.914 -6.720 636 H VAL 86 HN VAL 86 3.374 -8.211 -6.169 637 HA VAL 86 HA VAL 86 1.803 -6.020 -5.010 638 HB VAL 86 HB VAL 86 4.581 -5.600 -6.083 639 HG11 VAL 86 1HG1 VAL 86 3.164 -3.633 -6.032 640 HG12 VAL 86 2HG1 VAL 86 4.453 -3.494 -4.835 641 HG13 VAL 86 3HG1 VAL 86 2.816 -3.906 -4.323 642 HG21 VAL 86 3HG2 VAL 86 3.814 -5.994 -3.197 643 HG22 VAL 86 1HG2 VAL 86 5.401 -5.498 -3.785 644 HG23 VAL 86 2HG2 VAL 86 4.776 -7.098 -4.179 645 H GLU 87 HN GLU 87 1.049 -4.499 -6.436 646 HA GLU 87 HA GLU 87 1.535 -4.950 -9.304 647 HB2 GLU 87 2HB GLU 87 -0.581 -3.370 -7.812 648 HB3 GLU 87 1HB GLU 87 -0.335 -3.228 -9.549 649 HG2 GLU 87 2HG GLU 87 -1.054 -5.761 -8.086 650 HG3 GLU 87 1HG GLU 87 -2.173 -4.743 -8.992 651 HA PRO 88 HA PRO 88 4.378 -3.025 -10.712 652 HB2 PRO 88 2HB PRO 88 3.839 -0.152 -10.288 653 HB3 PRO 88 1HB PRO 88 4.369 -0.996 -11.743 654 HG2 PRO 88 2HG PRO 88 1.663 -0.331 -10.924 655 HG3 PRO 88 1HG PRO 88 2.213 -1.022 -12.463 656 HD2 PRO 88 2HD PRO 88 0.690 -2.421 -10.700 657 HD3 PRO 88 1HD PRO 88 1.922 -3.209 -11.716 658 H ARG 89 HN ARG 89 6.211 -3.133 -9.764 659 HA ARG 89 HA ARG 89 6.319 -2.793 -6.907 660 HB2 ARG 89 2HB ARG 89 8.521 -3.887 -7.108 661 HB3 ARG 89 1HB ARG 89 7.178 -4.818 -7.755 662 HG2 ARG 89 2HG ARG 89 7.805 -3.910 -10.016 663 HG3 ARG 89 1HG ARG 89 9.290 -3.324 -9.257 664 HD2 ARG 89 2HD ARG 89 9.741 -5.589 -8.467 665 HD3 ARG 89 1HD ARG 89 8.303 -6.156 -9.306 666 HE ARG 89 HE ARG 89 10.102 -4.764 -11.043 667 HH11 ARG 89 1HH1 ARG 89 9.521 -7.885 -9.532 668 HH12 ARG 89 2HH1 ARG 89 10.339 -8.769 -10.784 669 HH21 ARG 89 1HH2 ARG 89 11.184 -5.927 -12.649 670 HH22 ARG 89 2HH2 ARG 89 11.251 -7.662 -12.577 671 H MET 90 HN MET 90 7.348 -1.119 -9.671 672 HA MET 90 HA MET 90 8.917 0.712 -7.998 673 HB2 MET 90 2HB MET 90 9.011 0.181 -10.971 674 HB3 MET 90 1HB MET 90 9.737 1.603 -10.241 675 HG2 MET 90 2HG MET 90 11.146 0.130 -8.855 676 HG3 MET 90 1HG MET 90 10.464 -1.259 -9.701 677 HE1 MET 90 3HE MET 90 13.087 -1.910 -10.198 678 HE2 MET 90 1HE MET 90 13.617 -0.409 -9.439 679 HE3 MET 90 2HE MET 90 14.186 -0.830 -11.055 680 H ALA 91 HN ALA 91 8.317 2.833 -7.904 681 HA ALA 91 HA ALA 91 5.742 3.484 -9.188 682 HB1 ALA 91 1HB ALA 91 5.519 3.134 -6.772 683 HB2 ALA 91 2HB ALA 91 5.185 4.806 -7.221 684 HB3 ALA 91 3HB ALA 91 6.730 4.383 -6.482 685 H ARG 92 HN ARG 92 5.413 5.660 -9.780 686 HA ARG 92 HA ARG 92 7.960 6.966 -10.438 687 HB2 ARG 92 2HB ARG 92 6.921 7.869 -12.378 688 HB3 ARG 92 1HB ARG 92 6.449 6.176 -12.319 689 HG2 ARG 92 2HG ARG 92 4.278 6.775 -11.445 690 HG3 ARG 92 1HG ARG 92 4.754 8.471 -11.359 691 HD2 ARG 92 2HD ARG 92 3.480 8.308 -13.312 692 HD3 ARG 92 1HD ARG 92 5.152 8.309 -13.870 693 HE ARG 92 HE ARG 92 4.751 5.725 -13.787 694 HH11 ARG 92 1HH1 ARG 92 2.513 8.207 -14.786 695 HH12 ARG 92 2HH1 ARG 92 1.726 7.209 -15.971 696 HH21 ARG 92 1HH2 ARG 92 3.658 4.361 -15.294 697 HH22 ARG 92 2HH2 ARG 92 2.339 5.014 -16.218 698 H VAL 93 HN VAL 93 8.236 9.138 -10.078 699 HA VAL 93 HA VAL 93 6.023 10.616 -8.860 700 HB VAL 93 HB VAL 93 7.404 9.797 -7.011 701 HG11 VAL 93 1HG1 VAL 93 9.663 11.321 -8.303 702 HG12 VAL 93 2HG1 VAL 93 9.532 9.567 -8.185 703 HG13 VAL 93 3HG1 VAL 93 9.713 10.540 -6.724 704 HG21 VAL 93 3HG2 VAL 93 6.307 11.940 -6.744 705 HG22 VAL 93 1HG2 VAL 93 7.679 12.759 -7.492 706 HG23 VAL 93 2HG2 VAL 93 7.874 11.957 -5.934 707 H GLN 94 HN GLN 94 5.753 12.529 -9.801 708 HA GLN 94 HA GLN 94 8.010 13.662 -11.301 709 HB2 GLN 94 2HB GLN 94 6.006 13.228 -12.637 710 HB3 GLN 94 1HB GLN 94 5.042 14.198 -11.530 711 HG2 GLN 94 2HG GLN 94 6.186 16.191 -12.170 712 HG3 GLN 94 1HG GLN 94 7.352 15.281 -13.123 713 HE21 GLN 94 1HE2 GLN 94 5.663 17.436 -13.968 714 HE22 GLN 94 2HE2 GLN 94 4.685 16.811 -15.244 715 H LEU 95 HN LEU 95 9.025 15.279 -10.403 716 HA LEU 95 HA LEU 95 7.657 16.803 -8.294 717 HB2 LEU 95 2HB LEU 95 10.596 16.327 -8.790 718 HB3 LEU 95 1HB LEU 95 9.968 17.416 -7.568 719 HG LEU 95 HG LEU 95 9.510 14.431 -7.654 720 HD11 LEU 95 1HD1 LEU 95 10.953 14.383 -5.681 721 HD12 LEU 95 2HD1 LEU 95 11.242 16.116 -5.850 722 HD13 LEU 95 3HD1 LEU 95 11.809 15.001 -7.093 723 HD21 LEU 95 3HD2 LEU 95 8.699 16.503 -5.611 724 HD22 LEU 95 1HD2 LEU 95 8.544 14.757 -5.411 725 HD23 LEU 95 2HD2 LEU 95 7.618 15.586 -6.663 726 H GLU 96 HN GLU 96 7.208 18.842 -8.660 727 HA GLU 96 HA GLU 96 8.732 20.281 -10.726 728 HB2 GLU 96 2HB GLU 96 6.234 19.568 -11.213 729 HB3 GLU 96 1HB GLU 96 5.862 20.938 -10.180 730 HG2 GLU 96 2HG GLU 96 5.803 21.633 -12.467 731 HG3 GLU 96 1HG GLU 96 7.189 22.381 -11.674 732 H GLU 97 HN GLU 97 9.219 22.425 -10.198 733 HA GLU 97 HA GLU 97 9.325 22.917 -7.398 734 HB2 GLU 97 2HB GLU 97 10.236 24.440 -9.813 735 HB3 GLU 97 1HB GLU 97 10.266 25.182 -8.225 736 HG2 GLU 97 2HG GLU 97 12.426 24.332 -8.579 737 HG3 GLU 97 1HG GLU 97 11.648 23.210 -7.466 738 H ARG 98 HN ARG 98 7.119 22.912 -6.874 739 HA ARG 98 HA ARG 98 5.755 25.457 -7.480 740 HB2 ARG 98 2HB ARG 98 4.544 23.622 -8.485 741 HB3 ARG 98 1HB ARG 98 4.527 22.742 -6.973 742 HG2 ARG 98 2HG ARG 98 3.080 24.432 -5.997 743 HG3 ARG 98 1HG ARG 98 3.152 25.370 -7.491 744 HD2 ARG 98 2HD ARG 98 1.089 24.135 -7.450 745 HD3 ARG 98 1HD ARG 98 2.136 23.459 -8.693 746 HE ARG 98 HE ARG 98 2.320 22.112 -6.150 747 HH11 ARG 98 1HH1 ARG 98 0.604 22.260 -9.214 748 HH12 ARG 98 2HH1 ARG 98 0.018 20.627 -9.100 749 HH21 ARG 98 1HH2 ARG 98 1.556 19.992 -6.000 750 HH22 ARG 98 2HH2 ARG 98 0.551 19.335 -7.268 751 H GLN 99 HN GLN 99 4.856 26.536 -5.790 752 HA GLN 99 HA GLN 99 5.974 25.789 -3.234 753 HB2 GLN 99 2HB GLN 99 6.196 28.099 -3.968 754 HB3 GLN 99 1HB GLN 99 4.443 28.254 -4.061 755 HG2 GLN 99 2HG GLN 99 4.234 27.953 -1.711 756 HG3 GLN 99 1HG GLN 99 5.950 27.592 -1.560 757 HE21 GLN 99 1HE2 GLN 99 6.296 29.243 -0.102 758 HE22 GLN 99 2HE2 GLN 99 6.312 30.908 -0.570 759 H THR 100 HN THR 100 4.782 24.058 -2.580 760 HA THR 100 HA THR 100 2.095 24.773 -1.609 761 HB THR 100 HB THR 100 3.143 21.969 -2.079 762 HG1 THR 100 1HG THR 100 2.101 21.984 -3.986 763 HG21 THR 100 3HG2 THR 100 0.795 21.315 -1.756 764 HG22 THR 100 1HG2 THR 100 0.382 22.993 -1.409 765 HG23 THR 100 2HG2 THR 100 1.454 22.107 -0.324 766 H VAL 101 HN VAL 101 2.421 25.461 0.429 767 HA VAL 101 HA VAL 101 4.679 24.520 1.957 768 HB VAL 101 HB VAL 101 2.465 26.355 2.897 769 HG11 VAL 101 1HG1 VAL 101 5.302 25.991 3.863 770 HG12 VAL 101 2HG1 VAL 101 3.846 25.419 4.679 771 HG13 VAL 101 3HG1 VAL 101 4.129 27.149 4.495 772 HG21 VAL 101 3HG2 VAL 101 3.455 27.253 0.867 773 HG22 VAL 101 1HG2 VAL 101 5.068 27.069 1.552 774 HG23 VAL 101 2HG2 VAL 101 3.932 28.212 2.269 775 H SER 102 HN SER 102 4.151 22.314 2.173 776 HA SER 102 HA SER 102 1.890 21.546 3.776 777 HB2 SER 102 2HB SER 102 4.317 19.952 2.917 778 HB3 SER 102 1HB SER 102 2.849 19.288 3.632 779 HG SER 102 HG SER 102 2.759 19.103 1.381 780 H VAL 103 HN VAL 103 2.789 19.775 5.591 781 HA VAL 103 HA VAL 103 4.185 21.520 7.477 782 HB VAL 103 HB VAL 103 3.340 19.993 9.230 783 HG11 VAL 103 1HG1 VAL 103 1.208 21.043 7.367 784 HG12 VAL 103 2HG1 VAL 103 2.044 21.968 8.616 785 HG13 VAL 103 3HG1 VAL 103 0.980 20.635 9.067 786 HG21 VAL 103 3HG2 VAL 103 1.666 18.295 8.665 787 HG22 VAL 103 1HG2 VAL 103 3.226 17.938 7.921 788 HG23 VAL 103 2HG2 VAL 103 1.920 18.616 6.948 789 HA PRO 104 HA PRO 104 7.833 18.998 7.464 790 HB2 PRO 104 2HB PRO 104 8.697 19.372 10.013 791 HB3 PRO 104 1HB PRO 104 8.833 20.614 8.764 792 HG2 PRO 104 2HG PRO 104 6.796 20.327 10.937 793 HG3 PRO 104 1HG PRO 104 7.623 21.787 10.361 794 HD2 PRO 104 2HD PRO 104 5.094 21.152 9.627 795 HD3 PRO 104 1HD PRO 104 6.210 22.029 8.562 796 H VAL 105 HN VAL 105 8.748 17.053 8.436 797 HA VAL 105 HA VAL 105 6.659 15.483 9.795 798 HB VAL 105 HB VAL 105 7.574 13.479 8.677 799 HG11 VAL 105 1HG1 VAL 105 6.716 15.700 6.818 800 HG12 VAL 105 2HG1 VAL 105 5.659 14.603 7.710 801 HG13 VAL 105 3HG1 VAL 105 6.701 13.978 6.433 802 HG21 VAL 105 3HG2 VAL 105 9.854 14.206 8.283 803 HG22 VAL 105 1HG2 VAL 105 9.296 15.473 7.191 804 HG23 VAL 105 2HG2 VAL 105 9.099 13.774 6.749 805 H THR 106 HN THR 106 7.215 14.043 11.373 806 HA THR 106 HA THR 106 10.021 13.941 12.228 807 HB THR 106 HB THR 106 7.741 14.220 14.175 808 HG1 THR 106 1HG THR 106 9.620 16.266 13.532 809 HG21 THR 106 3HG2 THR 106 9.544 14.702 15.782 810 HG22 THR 106 1HG2 THR 106 10.733 14.445 14.506 811 HG23 THR 106 2HG2 THR 106 9.727 13.105 15.053 812 H VAL 107 HN VAL 107 10.281 11.867 11.554 813 HA VAL 107 HA VAL 107 8.254 9.876 12.032 814 HB VAL 107 HB VAL 107 9.834 8.303 10.934 815 HG11 VAL 107 1HG1 VAL 107 8.196 9.517 9.617 816 HG12 VAL 107 2HG1 VAL 107 9.693 9.318 8.705 817 HG13 VAL 107 3HG1 VAL 107 9.311 10.873 9.444 818 HG21 VAL 107 3HG2 VAL 107 11.933 9.348 11.639 819 HG22 VAL 107 1HG2 VAL 107 11.586 10.742 10.614 820 HG23 VAL 107 2HG2 VAL 107 11.863 9.158 9.887 821 H GLU 108 HN GLU 108 8.275 8.254 13.476 822 HA GLU 108 HA GLU 108 10.137 8.482 15.703 823 HB2 GLU 108 2HB GLU 108 7.415 7.784 15.426 824 HB3 GLU 108 1HB GLU 108 8.236 6.323 15.957 825 HG2 GLU 108 2HG GLU 108 8.560 8.968 17.341 826 HG3 GLU 108 1HG GLU 108 7.304 7.809 17.764 827 H MET 109 HN MET 109 11.129 6.527 16.619 828 HA MET 109 HA MET 109 11.990 4.706 14.460 829 HB2 MET 109 2HB MET 109 13.479 5.616 16.928 830 HB3 MET 109 1HB MET 109 14.070 4.406 15.796 831 HG2 MET 109 2HG MET 109 14.093 6.065 14.016 832 HG3 MET 109 1HG MET 109 13.474 7.280 15.133 833 HE1 MET 109 3HE MET 109 16.102 4.461 15.935 834 HE2 MET 109 1HE MET 109 17.619 5.295 15.594 835 HE3 MET 109 2HE MET 109 16.508 4.914 14.278 836 H ILE 110 HN ILE 110 12.266 2.502 14.930 837 HA ILE 110 HA ILE 110 10.536 1.555 17.081 838 HB ILE 110 HB ILE 110 10.721 -0.648 16.041 839 HG12 ILE 110 2HG1 ILE 110 12.483 0.701 13.976 840 HG13 ILE 110 1HG1 ILE 110 13.056 -0.407 15.220 841 HG21 ILE 110 1HG2 ILE 110 8.982 0.827 15.261 842 HG22 ILE 110 2HG2 ILE 110 9.605 -0.112 13.906 843 HG23 ILE 110 3HG2 ILE 110 10.086 1.571 14.106 844 HD11 ILE 110 3HD1 ILE 110 11.119 -1.080 13.012 845 HD12 ILE 110 1HD1 ILE 110 11.716 -2.191 14.245 846 HD13 ILE 110 2HD1 ILE 110 12.832 -1.509 13.064 847 H ASN 111 HN ASN 111 11.274 -0.406 18.316 848 HA ASN 111 HA ASN 111 14.132 -0.694 18.649 849 HB2 ASN 111 2HB ASN 111 13.670 1.285 20.035 850 HB3 ASN 111 1HB ASN 111 12.461 0.375 20.935 851 HD21 ASN 111 1HD2 ASN 111 13.111 -1.050 22.500 852 HD22 ASN 111 2HD2 ASN 111 14.756 -1.225 23.006 853 H LEU 112 HN LEU 112 14.593 -2.702 19.102 854 HA LEU 112 HA LEU 112 13.078 -4.250 20.980 855 HB2 LEU 112 2HB LEU 112 11.770 -4.624 18.916 856 HB3 LEU 112 1HB LEU 112 13.220 -5.185 18.106 857 HG LEU 112 HG LEU 112 13.345 -7.088 19.676 858 HD11 LEU 112 1HD1 LEU 112 12.235 -6.077 21.590 859 HD12 LEU 112 2HD1 LEU 112 11.438 -7.581 21.129 860 HD13 LEU 112 3HD1 LEU 112 10.715 -6.031 20.700 861 HD21 LEU 112 3HD2 LEU 112 12.214 -7.360 17.540 862 HD22 LEU 112 1HD2 LEU 112 10.703 -6.799 18.253 863 HD23 LEU 112 2HD2 LEU 112 11.422 -8.318 18.790 864 H GLU 113 HN GLU 113 14.998 -4.305 22.097 865 HA GLU 113 HA GLU 113 17.406 -5.161 20.704 866 HB2 GLU 113 2HB GLU 113 18.630 -4.463 22.672 867 HB3 GLU 113 1HB GLU 113 17.529 -3.186 22.188 868 HG2 GLU 113 2HG GLU 113 17.043 -5.132 24.437 869 HG3 GLU 113 1HG GLU 113 17.668 -3.495 24.625 870 H HIS 114 HN HIS 114 15.353 -6.197 23.423 871 HA HIS 114 HA HIS 114 16.946 -8.624 23.618 872 HB2 HIS 114 2HB HIS 114 15.440 -9.216 25.539 873 HB3 HIS 114 1HB HIS 114 16.406 -7.770 25.759 874 HD1 HIS 114 1HD HIS 114 12.829 -8.829 25.074 875 HD2 HIS 114 2HD HIS 114 14.995 -5.521 26.376 876 HE1 HIS 114 1HE HIS 114 11.125 -7.190 25.931 877 HE2 HIS 114 2HE HIS 114 12.477 -5.306 26.923 878 H HIS 115 HN HIS 115 16.594 -9.872 21.956 879 HA HIS 115 HA HIS 115 14.148 -11.370 21.937 880 HB2 HIS 115 2HB HIS 115 13.609 -11.077 19.583 881 HB3 HIS 115 1HB HIS 115 13.563 -9.525 20.397 882 HD1 HIS 115 1HD HIS 115 14.532 -10.869 17.333 883 HD2 HIS 115 2HD HIS 115 16.350 -8.220 19.981 884 HE1 HIS 115 1HE HIS 115 16.206 -9.578 15.963 885 HE2 HIS 115 2HE HIS 115 17.264 -7.948 17.569 886 H HIS 116 HN HIS 116 14.389 -13.370 20.678 887 HA HIS 116 HA HIS 116 15.557 -15.289 20.310 888 HB2 HIS 116 2HB HIS 116 17.803 -13.359 19.743 889 HB3 HIS 116 1HB HIS 116 18.097 -15.091 19.833 890 HD1 HIS 116 1HD HIS 116 18.092 -16.162 17.624 891 HD2 HIS 116 2HD HIS 116 15.557 -12.862 17.731 892 HE1 HIS 116 1HE HIS 116 17.145 -15.956 15.300 893 HE2 HIS 116 2HE HIS 116 15.578 -13.980 15.393 894 H HIS 117 HN HIS 117 16.511 -16.790 21.656 895 HA HIS 117 HA HIS 117 18.012 -15.842 23.968 896 HB2 HIS 117 2HB HIS 117 16.531 -16.987 25.580 897 HB3 HIS 117 1HB HIS 117 15.720 -15.660 24.760 898 HD1 HIS 117 1HD HIS 117 15.837 -19.456 24.771 899 HD2 HIS 117 2HD HIS 117 13.440 -16.339 23.407 900 HE1 HIS 117 1HE HIS 117 13.720 -20.532 23.960 901 HE2 HIS 117 2HE HIS 117 12.360 -18.653 22.978 902 H HIS 118 HN HIS 118 19.121 -17.466 25.110 903 HA HIS 118 HA HIS 118 18.857 -20.227 24.250 904 HB2 HIS 118 2HB HIS 118 21.201 -20.524 23.673 905 HB3 HIS 118 1HB HIS 118 20.500 -19.292 22.633 906 HD1 HIS 118 1HD HIS 118 22.938 -19.723 25.481 907 HD2 HIS 118 2HD HIS 118 21.625 -16.761 22.861 908 HE1 HIS 118 1HE HIS 118 24.555 -17.816 25.740 909 HE2 HIS 118 2HE HIS 118 23.739 -16.027 24.157 910 H HIS 119 HN HIS 119 20.306 -21.652 25.582 911 HA HIS 119 HA HIS 119 20.907 -20.402 28.186 912 HB2 HIS 119 2HB HIS 119 19.066 -22.117 28.224 913 HB3 HIS 119 1HB HIS 119 20.240 -23.314 27.684 914 HD1 HIS 119 1HD HIS 119 21.733 -24.357 29.442 915 HD2 HIS 119 2HD HIS 119 19.549 -21.117 30.873 916 HE1 HIS 119 1HE HIS 119 22.045 -24.373 31.932 917 HE2 HIS 119 2HE HIS 119 20.907 -22.279 32.742 Start of MODEL 9 1 H1 MET 1 H1 MET 1 6.162 -31.282 12.029 2 H2 MET 1 H2 MET 1 6.659 -31.186 10.411 3 H3 MET 1 H3 MET 1 5.075 -31.645 10.780 4 HA MET 1 HA MET 1 4.545 -29.511 11.609 5 HB2 MET 1 2HB MET 1 7.472 -28.942 11.127 6 HB3 MET 1 1HB MET 1 6.280 -27.665 11.315 7 HG2 MET 1 2HG MET 1 7.372 -27.999 13.404 8 HG3 MET 1 1HG MET 1 5.710 -28.570 13.538 9 HE1 MET 1 2HE MET 1 9.444 -31.274 13.315 10 HE2 MET 1 3HE MET 1 9.491 -29.516 13.494 11 HE3 MET 1 1HE MET 1 8.949 -30.234 11.979 12 HA PRO 2 HA PRO 2 3.792 -29.461 7.175 13 HB2 PRO 2 2HB PRO 2 1.364 -28.248 7.348 14 HB3 PRO 2 1HB PRO 2 1.599 -29.974 7.633 15 HG2 PRO 2 2HG PRO 2 1.340 -27.743 9.610 16 HG3 PRO 2 1HG PRO 2 0.626 -29.367 9.651 17 HD2 PRO 2 2HD PRO 2 2.829 -28.705 11.082 18 HD3 PRO 2 1HD PRO 2 2.562 -30.337 10.440 19 H THR 3 HN THR 3 4.850 -28.002 6.012 20 HA THR 3 HA THR 3 4.636 -25.168 6.697 21 HB THR 3 HB THR 3 6.404 -26.333 4.593 22 HG1 THR 3 1HG THR 3 6.481 -26.961 7.158 23 HG21 THR 3 3HG2 THR 3 6.631 -23.879 6.343 24 HG22 THR 3 1HG2 THR 3 6.249 -23.906 4.622 25 HG23 THR 3 2HG2 THR 3 7.848 -24.403 5.175 26 H PHE 4 HN PHE 4 2.847 -27.138 5.254 27 HA PHE 4 HA PHE 4 2.428 -25.976 2.665 28 HB2 PHE 4 2HB PHE 4 0.814 -27.985 4.198 29 HB3 PHE 4 1HB PHE 4 0.593 -27.580 2.514 30 HD1 PHE 4 1HD PHE 4 2.729 -27.899 1.012 31 HD2 PHE 4 2HD PHE 4 2.069 -29.827 4.748 32 HE1 PHE 4 1HE PHE 4 4.327 -29.660 0.378 33 HE2 PHE 4 2HE PHE 4 3.669 -31.590 4.123 34 HZ PHE 4 HZ PHE 4 4.799 -31.506 1.936 35 H ASP 5 HN ASP 5 -0.296 -25.948 2.450 36 HA ASP 5 HA ASP 5 -2.160 -24.707 2.731 37 HB2 ASP 5 2HB ASP 5 -2.108 -25.781 4.999 38 HB3 ASP 5 1HB ASP 5 -1.246 -24.368 5.591 39 H HIS 6 HN HIS 6 -0.053 -23.442 1.581 40 HA HIS 6 HA HIS 6 0.297 -20.858 2.774 41 HB2 HIS 6 2HB HIS 6 1.478 -20.208 0.746 42 HB3 HIS 6 1HB HIS 6 2.047 -21.780 1.285 43 HD1 HIS 6 1HD HIS 6 1.131 -20.054 -1.691 44 HD2 HIS 6 2HD HIS 6 0.621 -23.938 -0.289 45 HE1 HIS 6 1HE HIS 6 0.686 -21.454 -3.724 46 HE2 HIS 6 2HE HIS 6 0.582 -23.823 -2.870 47 H GLY 7 HN GLY 7 -1.489 -19.753 3.073 48 HA2 GLY 7 2HA GLY 7 -3.535 -19.675 1.007 49 HA3 GLY 7 1HA GLY 7 -3.648 -18.962 2.613 50 H ASN 8 HN ASN 8 -4.543 -17.313 0.887 51 HA ASN 8 HA ASN 8 -2.297 -15.522 0.250 52 HB2 ASN 8 2HB ASN 8 -4.974 -15.539 -1.143 53 HB3 ASN 8 1HB ASN 8 -3.562 -14.596 -1.577 54 HD21 ASN 8 1HD2 ASN 8 -1.757 -16.880 -1.099 55 HD22 ASN 8 2HD2 ASN 8 -1.954 -17.907 -2.480 56 H LEU 9 HN LEU 9 -2.523 -13.393 0.722 57 HA LEU 9 HA LEU 9 -4.978 -12.520 2.056 58 HB2 LEU 9 2HB LEU 9 -3.017 -13.128 3.638 59 HB3 LEU 9 1HB LEU 9 -2.251 -11.682 3.017 60 HG LEU 9 HG LEU 9 -3.406 -11.387 5.195 61 HD11 LEU 9 1HD1 LEU 9 -4.501 -9.276 4.650 62 HD12 LEU 9 2HD1 LEU 9 -4.489 -9.718 2.942 63 HD13 LEU 9 3HD1 LEU 9 -2.967 -9.457 3.795 64 HD21 LEU 9 3HD2 LEU 9 -5.857 -11.215 5.210 65 HD22 LEU 9 1HD2 LEU 9 -5.292 -12.850 4.864 66 HD23 LEU 9 2HD2 LEU 9 -5.886 -11.828 3.555 67 H SER 10 HN SER 10 -5.709 -10.724 1.151 68 HA SER 10 HA SER 10 -3.866 -9.252 -0.610 69 HB2 SER 10 2HB SER 10 -6.883 -9.483 -0.757 70 HB3 SER 10 1HB SER 10 -5.871 -8.564 -1.871 71 HG SER 10 HG SER 10 -4.873 -10.505 -2.503 72 H LEU 11 HN LEU 11 -3.199 -7.405 0.200 73 HA LEU 11 HA LEU 11 -4.630 -6.007 2.275 74 HB2 LEU 11 2HB LEU 11 -2.207 -5.190 0.658 75 HB3 LEU 11 1HB LEU 11 -2.818 -4.340 2.062 76 HG LEU 11 HG LEU 11 -1.777 -7.175 2.121 77 HD11 LEU 11 1HD1 LEU 11 -0.428 -4.598 2.923 78 HD12 LEU 11 2HD1 LEU 11 0.005 -5.616 1.549 79 HD13 LEU 11 3HD1 LEU 11 0.208 -6.222 3.193 80 HD21 LEU 11 3HD2 LEU 11 -3.361 -6.704 3.902 81 HD22 LEU 11 1HD2 LEU 11 -2.481 -5.234 4.324 82 HD23 LEU 11 2HD2 LEU 11 -1.725 -6.811 4.555 83 H GLY 12 HN GLY 12 -4.904 -6.205 -1.032 84 HA2 GLY 12 2HA GLY 12 -6.301 -5.094 -2.485 85 HA3 GLY 12 1HA GLY 12 -6.785 -4.056 -1.150 86 H GLU 13 HN GLU 13 -6.702 -2.281 -2.642 87 HA GLU 13 HA GLU 13 -4.092 -1.500 -3.606 88 HB2 GLU 13 2HB GLU 13 -5.253 0.512 -4.461 89 HB3 GLU 13 1HB GLU 13 -5.981 -0.983 -5.019 90 HG2 GLU 13 2HG GLU 13 -7.759 -0.743 -3.363 91 HG3 GLU 13 1HG GLU 13 -7.026 0.756 -2.797 92 H LEU 14 HN LEU 14 -2.667 -0.635 -2.310 93 HA LEU 14 HA LEU 14 -3.575 0.730 0.108 94 HB2 LEU 14 2HB LEU 14 -0.835 -0.216 -0.734 95 HB3 LEU 14 1HB LEU 14 -1.177 0.620 0.768 96 HG LEU 14 HG LEU 14 -2.255 -2.083 -0.034 97 HD11 LEU 14 1HD1 LEU 14 0.099 -2.159 0.526 98 HD12 LEU 14 2HD1 LEU 14 -0.854 -2.891 1.817 99 HD13 LEU 14 3HD1 LEU 14 -0.203 -1.264 2.015 100 HD21 LEU 14 3HD2 LEU 14 -3.136 -2.158 2.259 101 HD22 LEU 14 1HD2 LEU 14 -3.865 -0.860 1.313 102 HD23 LEU 14 2HD2 LEU 14 -2.616 -0.488 2.503 103 H GLU 15 HN GLU 15 -3.014 2.801 0.611 104 HA GLU 15 HA GLU 15 -2.833 4.564 -1.614 105 HB2 GLU 15 2HB GLU 15 -2.708 5.158 1.351 106 HB3 GLU 15 1HB GLU 15 -2.979 6.343 0.078 107 HG2 GLU 15 2HG GLU 15 -5.081 5.332 -0.490 108 HG3 GLU 15 1HG GLU 15 -4.795 4.003 0.629 109 H LEU 16 HN LEU 16 -1.113 5.491 -2.479 110 HA LEU 16 HA LEU 16 1.508 4.780 -1.509 111 HB2 LEU 16 2HB LEU 16 0.662 4.900 -3.957 112 HB3 LEU 16 1HB LEU 16 0.897 6.626 -3.807 113 HG LEU 16 HG LEU 16 2.761 5.505 -4.960 114 HD11 LEU 16 1HD1 LEU 16 3.189 7.582 -3.763 115 HD12 LEU 16 2HD1 LEU 16 4.589 6.510 -3.707 116 HD13 LEU 16 3HD1 LEU 16 3.543 6.671 -2.295 117 HD21 LEU 16 3HD2 LEU 16 2.685 3.364 -3.837 118 HD22 LEU 16 1HD2 LEU 16 3.189 4.117 -2.323 119 HD23 LEU 16 2HD2 LEU 16 4.293 4.078 -3.698 120 H THR 17 HN THR 17 2.428 5.919 0.060 121 HA THR 17 HA THR 17 1.809 8.774 0.312 122 HB THR 17 HB THR 17 3.219 6.976 2.303 123 HG1 THR 17 1HG THR 17 0.842 6.633 1.680 124 HG21 THR 17 3HG2 THR 17 2.639 8.760 3.905 125 HG22 THR 17 1HG2 THR 17 1.987 9.721 2.577 126 HG23 THR 17 2HG2 THR 17 3.709 9.339 2.627 127 H VAL 18 HN VAL 18 3.305 10.283 -0.124 128 HA VAL 18 HA VAL 18 5.954 9.342 -0.970 129 HB VAL 18 HB VAL 18 4.548 11.920 -1.684 130 HG11 VAL 18 1HG1 VAL 18 6.954 12.152 -1.752 131 HG12 VAL 18 2HG1 VAL 18 6.304 12.131 -3.391 132 HG13 VAL 18 3HG1 VAL 18 7.092 10.696 -2.736 133 HG21 VAL 18 3HG2 VAL 18 4.922 9.404 -3.303 134 HG22 VAL 18 1HG2 VAL 18 4.244 10.918 -3.904 135 HG23 VAL 18 2HG2 VAL 18 3.401 10.008 -2.651 136 H LEU 19 HN LEU 19 7.630 9.805 0.274 137 HA LEU 19 HA LEU 19 7.378 11.942 2.254 138 HB2 LEU 19 2HB LEU 19 9.500 9.817 1.903 139 HB3 LEU 19 1HB LEU 19 9.481 11.015 3.181 140 HG LEU 19 HG LEU 19 7.432 8.833 2.775 141 HD11 LEU 19 1HD1 LEU 19 8.338 7.967 4.897 142 HD12 LEU 19 2HD1 LEU 19 9.595 9.203 4.840 143 HD13 LEU 19 3HD1 LEU 19 9.526 7.956 3.594 144 HD21 LEU 19 3HD2 LEU 19 6.515 9.582 4.920 145 HD22 LEU 19 1HD2 LEU 19 6.412 10.848 3.697 146 HD23 LEU 19 2HD2 LEU 19 7.661 10.922 4.941 147 H TYR 20 HN TYR 20 8.102 13.862 1.763 148 HA TYR 20 HA TYR 20 10.561 14.222 0.280 149 HB2 TYR 20 2HB TYR 20 9.611 15.607 -1.451 150 HB3 TYR 20 1HB TYR 20 8.733 14.082 -1.456 151 HD1 TYR 20 2HD TYR 20 6.516 14.072 -0.006 152 HD2 TYR 20 1HD TYR 20 8.407 17.583 -1.499 153 HE1 TYR 20 2HE TYR 20 4.394 15.300 0.204 154 HE2 TYR 20 1HE TYR 20 6.291 18.818 -1.291 155 HH TYR 20 HH TYR 20 3.712 17.754 0.498 156 H ASP 21 HN ASP 21 11.040 16.658 0.170 157 HA ASP 21 HA ASP 21 10.061 17.887 2.654 158 HB2 ASP 21 2HB ASP 21 12.559 17.469 2.361 159 HB3 ASP 21 1HB ASP 21 12.523 18.721 1.119 160 H GLU 22 HN GLU 22 8.836 19.639 2.519 161 HA GLU 22 HA GLU 22 8.030 20.540 -0.099 162 HB2 GLU 22 2HB GLU 22 6.382 21.924 1.260 163 HB3 GLU 22 1HB GLU 22 6.245 20.178 1.399 164 HG2 GLU 22 2HG GLU 22 7.441 20.244 3.520 165 HG3 GLU 22 1HG GLU 22 7.603 21.993 3.375 166 H GLU 23 HN GLU 23 10.673 21.204 0.464 167 HA GLU 23 HA GLU 23 10.916 23.893 1.356 168 HB2 GLU 23 2HB GLU 23 13.214 23.731 0.507 169 HB3 GLU 23 1HB GLU 23 12.786 22.351 1.503 170 HG2 GLU 23 2HG GLU 23 12.512 20.962 -0.426 171 HG3 GLU 23 1HG GLU 23 12.730 22.340 -1.504 172 H ARG 24 HN ARG 24 10.501 22.391 -1.812 173 HA ARG 24 HA ARG 24 10.028 24.986 -3.017 174 HB2 ARG 24 2HB ARG 24 12.558 24.486 -2.902 175 HB3 ARG 24 1HB ARG 24 12.244 23.318 -4.167 176 HG2 ARG 24 2HG ARG 24 12.835 25.102 -5.434 177 HG3 ARG 24 1HG ARG 24 11.098 25.383 -5.328 178 HD2 ARG 24 2HD ARG 24 13.189 26.643 -3.558 179 HD3 ARG 24 1HD ARG 24 12.418 27.424 -4.935 180 HE ARG 24 HE ARG 24 10.911 26.550 -2.550 181 HH11 ARG 24 1HH1 ARG 24 11.656 28.898 -5.033 182 HH12 ARG 24 2HH1 ARG 24 10.508 30.072 -4.463 183 HH21 ARG 24 1HH2 ARG 24 9.406 28.096 -1.768 184 HH22 ARG 24 2HH2 ARG 24 9.237 29.622 -2.596 185 H TYR 25 HN TYR 25 9.160 21.873 -2.781 186 HA TYR 25 HA TYR 25 8.484 21.623 -5.628 187 HB2 TYR 25 2HB TYR 25 9.291 19.310 -3.862 188 HB3 TYR 25 1HB TYR 25 8.997 19.277 -5.595 189 HD1 TYR 25 2HD TYR 25 10.609 20.495 -7.122 190 HD2 TYR 25 1HD TYR 25 11.410 19.835 -2.996 191 HE1 TYR 25 2HE TYR 25 12.999 20.935 -7.518 192 HE2 TYR 25 1HE TYR 25 13.796 20.274 -3.378 193 HH TYR 25 HH TYR 25 14.975 21.704 -6.195 194 H ASP 26 HN ASP 26 6.467 21.030 -6.102 195 HA ASP 26 HA ASP 26 4.720 20.042 -3.942 196 HB2 ASP 26 2HB ASP 26 4.138 21.626 -6.430 197 HB3 ASP 26 1HB ASP 26 2.887 20.618 -5.726 198 H ILE 27 HN ILE 27 3.119 18.391 -4.636 199 HA ILE 27 HA ILE 27 4.381 16.423 -6.374 200 HB ILE 27 HB ILE 27 1.853 16.194 -4.721 201 HG12 ILE 27 2HG1 ILE 27 4.653 15.177 -4.177 202 HG13 ILE 27 1HG1 ILE 27 3.881 16.525 -3.350 203 HG21 ILE 27 1HG2 ILE 27 3.474 14.080 -6.145 204 HG22 ILE 27 2HG2 ILE 27 1.867 14.647 -6.603 205 HG23 ILE 27 3HG2 ILE 27 2.094 13.776 -5.086 206 HD11 ILE 27 3HD1 ILE 27 3.831 14.513 -1.999 207 HD12 ILE 27 1HD1 ILE 27 2.968 13.657 -3.280 208 HD13 ILE 27 2HD1 ILE 27 2.200 15.011 -2.449 209 H VAL 28 HN VAL 28 4.012 16.616 -8.478 210 HA VAL 28 HA VAL 28 1.594 17.865 -9.471 211 HB VAL 28 HB VAL 28 3.909 16.657 -10.990 212 HG11 VAL 28 1HG1 VAL 28 3.080 17.933 -12.895 213 HG12 VAL 28 2HG1 VAL 28 1.706 18.484 -11.936 214 HG13 VAL 28 3HG1 VAL 28 1.873 16.774 -12.333 215 HG21 VAL 28 3HG2 VAL 28 3.318 19.521 -10.255 216 HG22 VAL 28 1HG2 VAL 28 4.633 18.980 -11.301 217 HG23 VAL 28 2HG2 VAL 28 4.612 18.517 -9.599 218 H GLU 29 HN GLU 29 3.158 14.683 -9.728 219 HA GLU 29 HA GLU 29 0.511 13.478 -9.878 220 HB2 GLU 29 2HB GLU 29 1.007 12.052 -11.738 221 HB3 GLU 29 1HB GLU 29 1.352 13.698 -12.247 222 HG2 GLU 29 2HG GLU 29 3.602 13.351 -12.341 223 HG3 GLU 29 1HG GLU 29 3.571 12.075 -11.125 224 H GLN 30 HN GLN 30 0.617 11.131 -9.458 225 HA GLN 30 HA GLN 30 3.084 9.980 -8.582 226 HB2 GLN 30 2HB GLN 30 2.634 9.677 -6.285 227 HB3 GLN 30 1HB GLN 30 2.269 11.370 -6.581 228 HG2 GLN 30 2HG GLN 30 -0.078 10.942 -6.565 229 HG3 GLN 30 1HG GLN 30 0.187 9.200 -6.542 230 HE21 GLN 30 1HE2 GLN 30 -0.868 8.791 -4.671 231 HE22 GLN 30 2HE2 GLN 30 -0.317 9.329 -3.124 232 H THR 31 HN THR 31 2.609 7.718 -7.694 233 HA THR 31 HA THR 31 0.675 6.421 -9.354 234 HB THR 31 HB THR 31 2.200 5.238 -7.022 235 HG1 THR 31 1HG THR 31 3.195 6.330 -9.202 236 HG21 THR 31 3HG2 THR 31 1.039 3.993 -9.523 237 HG22 THR 31 1HG2 THR 31 0.393 3.827 -7.889 238 HG23 THR 31 2HG2 THR 31 1.969 3.143 -8.289 239 H GLU 32 HN GLU 32 -1.394 5.972 -8.862 240 HA GLU 32 HA GLU 32 -2.651 7.253 -6.710 241 HB2 GLU 32 2HB GLU 32 -3.683 5.005 -8.450 242 HB3 GLU 32 1HB GLU 32 -4.670 6.062 -7.447 243 HG2 GLU 32 2HG GLU 32 -4.206 7.939 -8.799 244 HG3 GLU 32 1HG GLU 32 -2.911 7.096 -9.652 245 H THR 33 HN THR 33 -2.924 3.776 -7.277 246 HA THR 33 HA THR 33 -2.155 3.220 -4.524 247 HB THR 33 HB THR 33 -4.172 1.626 -4.391 248 HG1 THR 33 1HG THR 33 -6.010 2.601 -5.632 249 HG21 THR 33 3HG2 THR 33 -5.637 3.360 -3.495 250 HG22 THR 33 1HG2 THR 33 -4.683 4.602 -4.308 251 HG23 THR 33 2HG2 THR 33 -3.965 3.645 -3.012 252 H VAL 34 HN VAL 34 -1.354 1.136 -4.223 253 HA VAL 34 HA VAL 34 -1.198 -0.542 -6.644 254 HB VAL 34 HB VAL 34 1.019 -1.371 -5.744 255 HG11 VAL 34 1HG1 VAL 34 0.920 0.134 -7.646 256 HG12 VAL 34 2HG1 VAL 34 2.295 0.543 -6.622 257 HG13 VAL 34 3HG1 VAL 34 0.834 1.527 -6.569 258 HG21 VAL 34 3HG2 VAL 34 0.824 -0.578 -3.458 259 HG22 VAL 34 1HG2 VAL 34 0.774 1.093 -4.020 260 HG23 VAL 34 2HG2 VAL 34 2.241 0.138 -4.229 261 H GLN 35 HN GLN 35 -1.222 -2.797 -6.325 262 HA GLN 35 HA GLN 35 -2.629 -3.514 -3.861 263 HB2 GLN 35 2HB GLN 35 -2.480 -4.940 -6.520 264 HB3 GLN 35 1HB GLN 35 -3.336 -5.547 -5.108 265 HG2 GLN 35 2HG GLN 35 -4.776 -3.574 -5.138 266 HG3 GLN 35 1HG GLN 35 -3.917 -2.981 -6.555 267 HE21 GLN 35 1HE2 GLN 35 -4.727 -6.347 -5.993 268 HE22 GLN 35 2HE2 GLN 35 -5.883 -6.481 -7.276 269 H VAL 36 HN VAL 36 -1.941 -4.971 -2.480 270 HA VAL 36 HA VAL 36 0.588 -6.374 -3.063 271 HB VAL 36 HB VAL 36 -0.249 -5.286 -0.362 272 HG11 VAL 36 1HG1 VAL 36 1.094 -7.307 -0.205 273 HG12 VAL 36 2HG1 VAL 36 2.028 -5.905 0.319 274 HG13 VAL 36 3HG1 VAL 36 2.305 -6.605 -1.276 275 HG21 VAL 36 3HG2 VAL 36 1.594 -3.687 -0.639 276 HG22 VAL 36 1HG2 VAL 36 0.345 -3.467 -1.867 277 HG23 VAL 36 2HG2 VAL 36 1.856 -4.280 -2.279 278 H ASP 37 HN ASP 37 0.408 -8.465 -3.011 279 HA ASP 37 HA ASP 37 -1.706 -9.712 -1.369 280 HB2 ASP 37 2HB ASP 37 -0.483 -10.652 -3.980 281 HB3 ASP 37 1HB ASP 37 -1.540 -11.639 -2.977 282 H LEU 38 HN LEU 38 -1.072 -11.182 0.108 283 HA LEU 38 HA LEU 38 1.811 -11.799 0.199 284 HB2 LEU 38 2HB LEU 38 -0.157 -11.546 2.480 285 HB3 LEU 38 1HB LEU 38 1.538 -11.968 2.645 286 HG LEU 38 HG LEU 38 0.512 -9.338 1.572 287 HD11 LEU 38 1HD1 LEU 38 0.006 -9.597 3.938 288 HD12 LEU 38 2HD1 LEU 38 1.279 -8.401 3.691 289 HD13 LEU 38 3HD1 LEU 38 1.688 -10.020 4.261 290 HD21 LEU 38 3HD2 LEU 38 2.672 -9.899 0.640 291 HD22 LEU 38 1HD2 LEU 38 3.295 -10.285 2.245 292 HD23 LEU 38 2HD2 LEU 38 2.863 -8.623 1.844 293 H GLU 39 HN GLU 39 2.456 -13.870 0.434 294 HA GLU 39 HA GLU 39 0.350 -15.907 0.732 295 HB2 GLU 39 2HB GLU 39 2.786 -15.843 -0.986 296 HB3 GLU 39 1HB GLU 39 2.245 -17.392 -0.354 297 HG2 GLU 39 2HG GLU 39 0.030 -16.971 -1.343 298 HG3 GLU 39 1HG GLU 39 0.664 -15.490 -2.050 299 H GLY 40 HN GLY 40 0.681 -17.602 2.057 300 HA2 GLY 40 2HA GLY 40 2.910 -18.578 3.251 301 HA3 GLY 40 1HA GLY 40 2.526 -17.170 4.235 302 HA PRO 41 HA PRO 41 0.206 -21.087 5.663 303 HB2 PRO 41 2HB PRO 41 1.321 -20.061 8.228 304 HB3 PRO 41 1HB PRO 41 1.176 -21.725 7.649 305 HG2 PRO 41 2HG PRO 41 3.538 -20.488 7.673 306 HG3 PRO 41 1HG PRO 41 3.090 -21.577 6.350 307 HD2 PRO 41 2HD PRO 41 3.157 -18.594 6.408 308 HD3 PRO 41 1HD PRO 41 3.569 -19.707 5.088 309 H ARG 42 HN ARG 42 -1.886 -20.723 5.960 310 HA ARG 42 HA ARG 42 -2.978 -18.193 6.324 311 HB2 ARG 42 2HB ARG 42 -4.187 -20.925 6.651 312 HB3 ARG 42 1HB ARG 42 -5.128 -19.451 6.856 313 HG2 ARG 42 2HG ARG 42 -4.440 -18.775 4.559 314 HG3 ARG 42 1HG ARG 42 -3.691 -20.359 4.376 315 HD2 ARG 42 2HD ARG 42 -6.590 -19.969 5.071 316 HD3 ARG 42 1HD ARG 42 -6.004 -20.117 3.415 317 HE ARG 42 HE ARG 42 -5.011 -22.308 4.783 318 HH11 ARG 42 1HH1 ARG 42 -8.172 -20.992 4.040 319 HH12 ARG 42 2HH1 ARG 42 -8.942 -22.540 3.963 320 HH21 ARG 42 1HH2 ARG 42 -6.013 -24.346 4.658 321 HH22 ARG 42 2HH2 ARG 42 -7.723 -24.453 4.312 322 H GLY 43 HN GLY 43 -2.070 -20.575 8.715 323 HA2 GLY 43 2HA GLY 43 -3.395 -19.593 10.960 324 HA3 GLY 43 1HA GLY 43 -1.821 -20.374 10.990 325 H VAL 44 HN VAL 44 -0.387 -18.490 9.482 326 HA VAL 44 HA VAL 44 0.213 -16.521 11.448 327 HB VAL 44 HB VAL 44 1.093 -16.650 8.553 328 HG11 VAL 44 1HG1 VAL 44 2.971 -15.252 9.273 329 HG12 VAL 44 2HG1 VAL 44 2.271 -15.148 10.888 330 HG13 VAL 44 3HG1 VAL 44 1.424 -14.443 9.510 331 HG21 VAL 44 3HG2 VAL 44 3.152 -17.673 9.443 332 HG22 VAL 44 1HG2 VAL 44 1.727 -18.675 9.714 333 HG23 VAL 44 2HG2 VAL 44 2.410 -17.736 11.041 334 H LEU 45 HN LEU 45 -1.423 -16.504 8.332 335 HA LEU 45 HA LEU 45 -1.819 -13.749 8.066 336 HB2 LEU 45 2HB LEU 45 -3.575 -15.987 7.055 337 HB3 LEU 45 1HB LEU 45 -3.589 -14.334 6.473 338 HG LEU 45 HG LEU 45 -1.282 -16.268 6.217 339 HD11 LEU 45 1HD1 LEU 45 -3.148 -16.861 4.785 340 HD12 LEU 45 2HD1 LEU 45 -1.809 -16.221 3.833 341 HD13 LEU 45 3HD1 LEU 45 -3.217 -15.211 4.164 342 HD21 LEU 45 3HD2 LEU 45 -0.526 -13.962 6.436 343 HD22 LEU 45 1HD2 LEU 45 -1.622 -13.472 5.142 344 HD23 LEU 45 2HD2 LEU 45 -0.280 -14.562 4.798 345 H THR 46 HN THR 46 -3.641 -16.187 9.821 346 HA THR 46 HA THR 46 -5.962 -14.653 10.318 347 HB THR 46 HB THR 46 -4.794 -16.811 12.088 348 HG1 THR 46 1HG THR 46 -5.419 -17.082 9.596 349 HG21 THR 46 3HG2 THR 46 -7.632 -15.850 11.687 350 HG22 THR 46 1HG2 THR 46 -6.633 -15.570 13.111 351 HG23 THR 46 2HG2 THR 46 -7.143 -17.208 12.703 352 H VAL 47 HN VAL 47 -2.942 -15.073 12.135 353 HA VAL 47 HA VAL 47 -3.659 -13.536 14.383 354 HB VAL 47 HB VAL 47 -0.891 -13.931 13.231 355 HG11 VAL 47 1HG1 VAL 47 -1.786 -13.180 16.010 356 HG12 VAL 47 2HG1 VAL 47 -0.928 -12.146 14.866 357 HG13 VAL 47 3HG1 VAL 47 -0.131 -13.567 15.545 358 HG21 VAL 47 3HG2 VAL 47 -1.974 -16.066 13.604 359 HG22 VAL 47 1HG2 VAL 47 -2.413 -15.583 15.242 360 HG23 VAL 47 2HG2 VAL 47 -0.718 -15.804 14.812 361 H PHE 48 HN PHE 48 -2.168 -12.680 11.308 362 HA PHE 48 HA PHE 48 -1.673 -9.954 11.938 363 HB2 PHE 48 2HB PHE 48 -0.568 -11.248 10.096 364 HB3 PHE 48 1HB PHE 48 -2.088 -11.202 9.211 365 HD1 PHE 48 2HD PHE 48 0.575 -9.073 10.646 366 HD2 PHE 48 1HD PHE 48 -2.643 -9.367 7.875 367 HE1 PHE 48 2HE PHE 48 1.231 -6.917 9.660 368 HE2 PHE 48 1HE PHE 48 -1.991 -7.215 6.883 369 HZ PHE 48 HZ PHE 48 -0.050 -5.988 7.776 370 H ARG 49 HN ARG 49 -4.426 -11.714 10.708 371 HA ARG 49 HA ARG 49 -5.906 -9.508 9.744 372 HB2 ARG 49 2HB ARG 49 -6.317 -12.382 10.252 373 HB3 ARG 49 1HB ARG 49 -7.765 -11.404 10.266 374 HG2 ARG 49 2HG ARG 49 -5.802 -11.254 8.014 375 HG3 ARG 49 1HG ARG 49 -7.061 -12.489 8.065 376 HD2 ARG 49 2HD ARG 49 -7.596 -9.529 8.258 377 HD3 ARG 49 1HD ARG 49 -7.644 -10.440 6.749 378 HE ARG 49 HE ARG 49 -9.326 -11.439 8.904 379 HH11 ARG 49 1HH1 ARG 49 -9.143 -9.426 6.025 380 HH12 ARG 49 2HH1 ARG 49 -10.842 -9.571 5.678 381 HH21 ARG 49 1HH2 ARG 49 -11.552 -11.603 8.439 382 HH22 ARG 49 2HH2 ARG 49 -12.208 -10.807 7.039 383 H PHE 50 HN PHE 50 -5.271 -10.624 12.909 384 HA PHE 50 HA PHE 50 -7.647 -9.603 14.140 385 HB2 PHE 50 2HB PHE 50 -5.001 -10.598 15.138 386 HB3 PHE 50 1HB PHE 50 -6.111 -9.782 16.221 387 HD1 PHE 50 1HD PHE 50 -8.588 -10.727 16.138 388 HD2 PHE 50 2HD PHE 50 -5.100 -12.871 14.989 389 HE1 PHE 50 1HE PHE 50 -9.772 -12.848 16.520 390 HE2 PHE 50 2HE PHE 50 -6.278 -14.998 15.361 391 HZ PHE 50 HZ PHE 50 -8.619 -14.990 16.126 392 H ALA 51 HN ALA 51 -4.682 -8.257 13.070 393 HA ALA 51 HA ALA 51 -4.839 -6.006 14.922 394 HB1 ALA 51 1HB ALA 51 -2.675 -7.107 14.672 395 HB2 ALA 51 2HB ALA 51 -2.603 -5.433 14.121 396 HB3 ALA 51 3HB ALA 51 -2.683 -6.746 12.947 397 H ARG 52 HN ARG 52 -5.521 -4.046 14.355 398 HA ARG 52 HA ARG 52 -6.458 -3.393 11.777 399 HB2 ARG 52 2HB ARG 52 -5.965 -1.929 14.318 400 HB3 ARG 52 1HB ARG 52 -6.126 -0.982 12.854 401 HG2 ARG 52 2HG ARG 52 -8.316 -2.133 12.457 402 HG3 ARG 52 1HG ARG 52 -8.142 -2.852 14.057 403 HD2 ARG 52 2HD ARG 52 -8.100 -0.654 15.080 404 HD3 ARG 52 1HD ARG 52 -8.167 0.111 13.491 405 HE ARG 52 HE ARG 52 -10.369 -1.675 13.998 406 HH11 ARG 52 1HH1 ARG 52 -9.175 1.594 14.451 407 HH12 ARG 52 2HH1 ARG 52 -10.765 2.286 14.608 408 HH21 ARG 52 1HH2 ARG 52 -12.455 -0.760 14.216 409 HH22 ARG 52 2HH2 ARG 52 -12.621 0.954 14.463 410 HA PRO 53 HA PRO 53 -2.964 -2.361 9.413 411 HB2 PRO 53 2HB PRO 53 -3.563 0.271 8.657 412 HB3 PRO 53 1HB PRO 53 -3.993 -1.203 7.792 413 HG2 PRO 53 2HG PRO 53 -5.634 0.462 9.627 414 HG3 PRO 53 1HG PRO 53 -6.133 -0.475 8.209 415 HD2 PRO 53 2HD PRO 53 -6.629 -1.311 10.716 416 HD3 PRO 53 1HD PRO 53 -6.250 -2.450 9.408 417 H SER 54 HN SER 54 -1.074 -2.046 10.228 418 HA SER 54 HA SER 54 -0.430 0.562 11.421 419 HB2 SER 54 2HB SER 54 -0.398 -1.215 13.143 420 HB3 SER 54 1HB SER 54 0.763 -2.108 12.175 421 HG SER 54 HG SER 54 2.070 -0.087 12.341 422 H TYR 55 HN TYR 55 -0.321 -1.079 8.809 423 HA TYR 55 HA TYR 55 2.502 -0.721 8.160 424 HB2 TYR 55 2HB TYR 55 1.769 -1.960 6.011 425 HB3 TYR 55 1HB TYR 55 1.892 -2.879 7.504 426 HD1 TYR 55 2HD TYR 55 -0.434 -1.448 5.038 427 HD2 TYR 55 1HD TYR 55 -0.058 -3.815 8.548 428 HE1 TYR 55 2HE TYR 55 -2.747 -2.241 4.745 429 HE2 TYR 55 1HE TYR 55 -2.362 -4.616 8.268 430 HH TYR 55 HH TYR 55 -4.409 -4.024 7.197 431 H GLU 56 HN GLU 56 3.172 0.588 6.526 432 HA GLU 56 HA GLU 56 1.167 2.187 5.118 433 HB2 GLU 56 2HB GLU 56 3.399 3.252 6.845 434 HB3 GLU 56 1HB GLU 56 2.674 4.216 5.566 435 HG2 GLU 56 2HG GLU 56 0.569 4.225 6.633 436 HG3 GLU 56 1HG GLU 56 1.060 2.972 7.771 437 H VAL 57 HN VAL 57 1.964 3.189 3.207 438 HA VAL 57 HA VAL 57 4.259 1.745 2.061 439 HB VAL 57 HB VAL 57 1.904 3.041 0.662 440 HG11 VAL 57 1HG1 VAL 57 3.910 3.090 -0.706 441 HG12 VAL 57 2HG1 VAL 57 2.746 1.934 -1.349 442 HG13 VAL 57 3HG1 VAL 57 4.148 1.362 -0.445 443 HG21 VAL 57 3HG2 VAL 57 2.543 0.129 1.120 444 HG22 VAL 57 1HG2 VAL 57 1.206 0.747 0.149 445 HG23 VAL 57 2HG2 VAL 57 1.245 1.043 1.888 446 H PHE 58 HN PHE 58 6.033 2.918 1.523 447 HA PHE 58 HA PHE 58 5.722 5.842 1.368 448 HB2 PHE 58 2HB PHE 58 7.940 4.355 2.779 449 HB3 PHE 58 1HB PHE 58 7.854 6.098 2.571 450 HD1 PHE 58 2HD PHE 58 5.742 7.251 3.549 451 HD2 PHE 58 1HD PHE 58 7.119 3.389 4.688 452 HE1 PHE 58 2HE PHE 58 4.512 7.444 5.668 453 HE2 PHE 58 1HE PHE 58 5.892 3.574 6.810 454 HZ PHE 58 HZ PHE 58 4.589 5.602 7.301 455 H VAL 59 HN VAL 59 7.024 6.936 -0.019 456 HA VAL 59 HA VAL 59 9.297 5.533 -1.237 457 HB VAL 59 HB VAL 59 8.954 6.862 -3.324 458 HG11 VAL 59 1HG1 VAL 59 8.275 4.528 -3.235 459 HG12 VAL 59 2HG1 VAL 59 7.159 5.458 -4.235 460 HG13 VAL 59 3HG1 VAL 59 6.699 4.994 -2.595 461 HG21 VAL 59 3HG2 VAL 59 6.254 7.470 -2.120 462 HG22 VAL 59 1HG2 VAL 59 6.753 7.837 -3.772 463 HG23 VAL 59 2HG2 VAL 59 7.546 8.635 -2.413 464 H ASP 60 HN ASP 60 11.173 6.671 -1.125 465 HA ASP 60 HA ASP 60 10.990 9.398 -0.024 466 HB2 ASP 60 2HB ASP 60 12.091 7.678 1.450 467 HB3 ASP 60 1HB ASP 60 13.334 7.499 0.217 468 H LEU 61 HN LEU 61 11.483 10.916 -1.410 469 HA LEU 61 HA LEU 61 13.621 10.420 -3.346 470 HB2 LEU 61 2HB LEU 61 10.861 11.470 -3.931 471 HB3 LEU 61 1HB LEU 61 12.218 11.753 -5.010 472 HG LEU 61 HG LEU 61 11.267 9.008 -4.185 473 HD11 LEU 61 1HD1 LEU 61 9.548 10.135 -5.483 474 HD12 LEU 61 2HD1 LEU 61 10.311 8.847 -6.418 475 HD13 LEU 61 3HD1 LEU 61 10.737 10.533 -6.725 476 HD21 LEU 61 3HD2 LEU 61 13.190 9.938 -6.310 477 HD22 LEU 61 1HD2 LEU 61 12.663 8.273 -6.066 478 HD23 LEU 61 2HD2 LEU 61 13.607 9.090 -4.822 479 H THR 62 HN THR 62 13.674 11.756 -0.859 480 HA THR 62 HA THR 62 13.612 14.579 -1.219 481 HB THR 62 HB THR 62 15.093 14.583 0.846 482 HG1 THR 62 1HG THR 62 14.552 11.767 0.771 483 HG21 THR 62 3HG2 THR 62 13.294 13.818 2.328 484 HG22 THR 62 1HG2 THR 62 12.509 13.023 0.964 485 HG23 THR 62 2HG2 THR 62 12.664 14.780 0.991 486 H GLU 63 HN GLU 63 15.648 12.197 -2.384 487 HA GLU 63 HA GLU 63 17.929 14.009 -2.703 488 HB2 GLU 63 2HB GLU 63 17.724 11.038 -3.194 489 HB3 GLU 63 1HB GLU 63 19.179 11.994 -3.323 490 HG2 GLU 63 2HG GLU 63 19.086 12.480 -0.980 491 HG3 GLU 63 1HG GLU 63 17.588 11.584 -0.837 492 H ALA 64 HN ALA 64 15.187 13.481 -4.247 493 HA ALA 64 HA ALA 64 16.336 13.249 -6.939 494 HB1 ALA 64 1HB ALA 64 14.538 11.667 -6.367 495 HB2 ALA 64 2HB ALA 64 14.090 12.728 -7.702 496 HB3 ALA 64 3HB ALA 64 13.450 13.026 -6.085 497 H GLY 65 HN GLY 65 15.600 14.692 -8.600 498 HA2 GLY 65 2HA GLY 65 14.971 17.357 -7.539 499 HA3 GLY 65 1HA GLY 65 15.740 17.024 -9.085 500 H GLU 66 HN GLU 66 14.428 17.800 -10.595 501 HA GLU 66 HA GLU 66 11.580 17.907 -10.178 502 HB2 GLU 66 2HB GLU 66 11.527 19.124 -12.284 503 HB3 GLU 66 1HB GLU 66 12.748 19.787 -11.213 504 HG2 GLU 66 2HG GLU 66 13.493 17.774 -13.295 505 HG3 GLU 66 1HG GLU 66 13.277 19.467 -13.724 506 H GLY 67 HN GLY 67 10.045 17.172 -11.784 507 HA2 GLY 67 2HA GLY 67 9.296 15.816 -13.528 508 HA3 GLY 67 1HA GLY 67 10.924 15.178 -13.701 509 H SER 68 HN SER 68 8.746 13.523 -13.809 510 HA SER 68 HA SER 68 8.201 12.316 -11.291 511 HB2 SER 68 2HB SER 68 6.703 12.084 -13.232 512 HB3 SER 68 1HB SER 68 7.929 11.130 -14.062 513 HG SER 68 HG SER 68 6.185 9.998 -12.841 514 H HIS 69 HN HIS 69 9.081 10.588 -10.337 515 HA HIS 69 HA HIS 69 11.498 9.431 -11.544 516 HB2 HIS 69 2HB HIS 69 11.183 10.614 -8.797 517 HB3 HIS 69 1HB HIS 69 12.359 9.339 -9.089 518 HD1 HIS 69 1HD HIS 69 11.663 12.947 -9.858 519 HD2 HIS 69 2HD HIS 69 14.603 10.091 -10.561 520 HE1 HIS 69 1HE HIS 69 13.662 14.221 -10.693 521 HE2 HIS 69 2HE HIS 69 15.347 12.452 -11.311 522 H THR 70 HN THR 70 11.767 7.275 -11.245 523 HA THR 70 HA THR 70 9.596 5.907 -9.800 524 HB THR 70 HB THR 70 11.193 4.822 -12.130 525 HG1 THR 70 1HG THR 70 8.672 6.137 -12.002 526 HG21 THR 70 3HG2 THR 70 8.641 3.865 -10.826 527 HG22 THR 70 1HG2 THR 70 10.229 3.112 -10.659 528 HG23 THR 70 2HG2 THR 70 9.425 3.134 -12.228 529 H VAL 71 HN VAL 71 10.230 4.971 -8.002 530 HA VAL 71 HA VAL 71 12.826 3.586 -7.940 531 HB VAL 71 HB VAL 71 13.063 4.203 -5.533 532 HG11 VAL 71 1HG1 VAL 71 14.366 5.382 -7.192 533 HG12 VAL 71 2HG1 VAL 71 13.858 6.503 -5.927 534 HG13 VAL 71 3HG1 VAL 71 13.032 6.498 -7.486 535 HG21 VAL 71 3HG2 VAL 71 10.739 4.768 -5.067 536 HG22 VAL 71 1HG2 VAL 71 10.856 6.164 -6.139 537 HG23 VAL 71 2HG2 VAL 71 11.807 6.111 -4.655 538 H ASP 72 HN ASP 72 12.867 1.945 -6.097 539 HA ASP 72 HA ASP 72 10.442 0.415 -6.222 540 HB2 ASP 72 2HB ASP 72 11.604 -1.301 -5.023 541 HB3 ASP 72 1HB ASP 72 12.738 -0.625 -6.183 542 H VAL 73 HN VAL 73 8.961 0.058 -4.645 543 HA VAL 73 HA VAL 73 8.611 2.180 -2.773 544 HB VAL 73 HB VAL 73 7.065 -0.390 -3.127 545 HG11 VAL 73 1HG1 VAL 73 6.739 0.538 -0.898 546 HG12 VAL 73 2HG1 VAL 73 5.282 0.712 -1.873 547 HG13 VAL 73 3HG1 VAL 73 6.331 2.103 -1.598 548 HG21 VAL 73 3HG2 VAL 73 7.067 1.074 -5.100 549 HG22 VAL 73 1HG2 VAL 73 6.461 2.398 -4.105 550 HG23 VAL 73 2HG2 VAL 73 5.470 0.959 -4.358 551 H GLU 74 HN GLU 74 9.091 2.274 -0.661 552 HA GLU 74 HA GLU 74 10.428 0.000 0.567 553 HB2 GLU 74 2HB GLU 74 10.661 2.804 0.795 554 HB3 GLU 74 1HB GLU 74 10.050 2.242 2.343 555 HG2 GLU 74 2HG GLU 74 12.497 1.139 0.981 556 HG3 GLU 74 1HG GLU 74 12.519 2.388 2.223 557 H HIS 75 HN HIS 75 9.706 -0.946 2.537 558 HA HIS 75 HA HIS 75 6.789 -0.636 2.894 559 HB2 HIS 75 2HB HIS 75 8.314 -3.248 3.002 560 HB3 HIS 75 1HB HIS 75 6.572 -3.041 3.138 561 HD1 HIS 75 1HD HIS 75 5.259 -2.588 0.926 562 HD2 HIS 75 2HD HIS 75 9.333 -3.216 0.413 563 HE1 HIS 75 1HE HIS 75 5.579 -2.955 -1.540 564 HE2 HIS 75 2HE HIS 75 8.076 -3.154 -1.847 565 H ARG 76 HN ARG 76 5.958 -0.937 4.947 566 HA ARG 76 HA ARG 76 7.582 -1.955 7.085 567 HB2 ARG 76 2HB ARG 76 8.256 0.461 6.979 568 HB3 ARG 76 1HB ARG 76 6.580 0.895 7.293 569 HG2 ARG 76 2HG ARG 76 6.680 -0.289 9.431 570 HG3 ARG 76 1HG ARG 76 8.364 -0.704 9.116 571 HD2 ARG 76 2HD ARG 76 8.870 1.733 9.004 572 HD3 ARG 76 1HD ARG 76 7.207 2.051 9.500 573 HE ARG 76 HE ARG 76 8.604 0.259 11.265 574 HH11 ARG 76 1HH1 ARG 76 7.961 3.621 10.521 575 HH12 ARG 76 2HH1 ARG 76 8.358 4.181 12.122 576 HH21 ARG 76 1HH2 ARG 76 9.150 0.999 13.366 577 HH22 ARG 76 2HH2 ARG 76 9.021 2.692 13.734 578 H GLY 77 HN GLY 77 6.317 -2.679 8.803 579 HA2 GLY 77 2HA GLY 77 4.197 -2.326 10.063 580 HA3 GLY 77 1HA GLY 77 3.410 -2.246 8.494 581 H PHE 78 HN PHE 78 4.156 -4.292 7.093 582 HA PHE 78 HA PHE 78 3.367 -6.600 8.688 583 HB2 PHE 78 2HB PHE 78 3.095 -7.716 6.451 584 HB3 PHE 78 1HB PHE 78 2.060 -6.317 6.701 585 HD1 PHE 78 1HD PHE 78 2.474 -4.234 5.486 586 HD2 PHE 78 2HD PHE 78 4.811 -7.722 4.771 587 HE1 PHE 78 1HE PHE 78 3.286 -3.255 3.379 588 HE2 PHE 78 2HE PHE 78 5.628 -6.748 2.665 589 HZ PHE 78 HZ PHE 78 4.867 -4.515 1.969 590 HA PRO 79 HA PRO 79 7.409 -8.352 8.802 591 HB2 PRO 79 2HB PRO 79 6.231 -11.030 8.591 592 HB3 PRO 79 1HB PRO 79 7.065 -10.279 9.953 593 HG2 PRO 79 2HG PRO 79 4.413 -10.756 9.986 594 HG3 PRO 79 1HG PRO 79 5.136 -9.354 10.800 595 HD2 PRO 79 2HD PRO 79 3.718 -9.489 8.159 596 HD3 PRO 79 1HD PRO 79 3.593 -8.269 9.447 597 H GLY 80 HN GLY 80 8.987 -9.146 7.465 598 HA2 GLY 80 2HA GLY 80 8.259 -9.459 4.672 599 HA3 GLY 80 1HA GLY 80 9.887 -9.354 5.326 600 H ASP 81 HN ASP 81 8.046 -11.548 7.055 601 HA ASP 81 HA ASP 81 9.502 -13.803 6.138 602 HB2 ASP 81 2HB ASP 81 7.291 -13.351 8.099 603 HB3 ASP 81 1HB ASP 81 7.730 -14.983 7.640 604 H LEU 82 HN LEU 82 6.368 -12.462 5.495 605 HA LEU 82 HA LEU 82 5.332 -14.798 4.181 606 HB2 LEU 82 2HB LEU 82 4.358 -11.939 4.152 607 HB3 LEU 82 1HB LEU 82 3.472 -13.321 3.535 608 HG LEU 82 HG LEU 82 4.248 -12.908 6.426 609 HD11 LEU 82 1HD1 LEU 82 1.843 -12.532 6.770 610 HD12 LEU 82 2HD1 LEU 82 1.600 -12.590 5.023 611 HD13 LEU 82 3HD1 LEU 82 2.573 -11.302 5.736 612 HD21 LEU 82 3HD2 LEU 82 4.102 -15.270 5.804 613 HD22 LEU 82 1HD2 LEU 82 2.498 -14.995 5.126 614 HD23 LEU 82 2HD2 LEU 82 2.766 -14.803 6.858 615 H ALA 83 HN ALA 83 4.769 -14.867 1.906 616 HA ALA 83 HA ALA 83 6.868 -13.786 0.239 617 HB1 ALA 83 1HB ALA 83 5.790 -15.042 -1.571 618 HB2 ALA 83 2HB ALA 83 4.443 -15.428 -0.499 619 HB3 ALA 83 3HB ALA 83 6.053 -16.056 -0.153 620 H VAL 84 HN VAL 84 6.784 -11.856 -0.669 621 HA VAL 84 HA VAL 84 4.262 -10.390 -0.502 622 HB VAL 84 HB VAL 84 7.018 -9.332 -1.135 623 HG11 VAL 84 1HG1 VAL 84 4.492 -7.915 -0.306 624 HG12 VAL 84 2HG1 VAL 84 5.231 -7.876 -1.906 625 HG13 VAL 84 3HG1 VAL 84 6.068 -7.156 -0.530 626 HG21 VAL 84 3HG2 VAL 84 7.015 -10.319 1.079 627 HG22 VAL 84 1HG2 VAL 84 5.549 -9.429 1.499 628 HG23 VAL 84 2HG2 VAL 84 7.055 -8.560 1.202 629 H THR 85 HN THR 85 3.013 -10.213 -2.221 630 HA THR 85 HA THR 85 4.256 -10.174 -4.896 631 HB THR 85 HB THR 85 1.347 -10.726 -4.346 632 HG1 THR 85 1HG THR 85 2.770 -12.284 -3.279 633 HG21 THR 85 3HG2 THR 85 1.472 -11.833 -6.545 634 HG22 THR 85 1HG2 THR 85 3.165 -11.358 -6.667 635 HG23 THR 85 2HG2 THR 85 1.903 -10.125 -6.631 636 H VAL 86 HN VAL 86 3.894 -8.390 -6.124 637 HA VAL 86 HA VAL 86 2.114 -6.326 -5.056 638 HB VAL 86 HB VAL 86 4.951 -5.731 -5.883 639 HG11 VAL 86 1HG1 VAL 86 3.430 -3.869 -6.199 640 HG12 VAL 86 2HG1 VAL 86 4.529 -3.540 -4.858 641 HG13 VAL 86 3HG1 VAL 86 2.865 -4.027 -4.536 642 HG21 VAL 86 3HG2 VAL 86 3.828 -5.921 -3.096 643 HG22 VAL 86 1HG2 VAL 86 5.438 -5.340 -3.518 644 HG23 VAL 86 2HG2 VAL 86 5.000 -7.020 -3.824 645 H GLU 87 HN GLU 87 1.212 -5.007 -6.563 646 HA GLU 87 HA GLU 87 2.029 -5.385 -9.371 647 HB2 GLU 87 2HB GLU 87 -0.483 -5.497 -8.396 648 HB3 GLU 87 1HB GLU 87 -0.362 -3.753 -8.606 649 HG2 GLU 87 2HG GLU 87 -0.067 -3.935 -10.916 650 HG3 GLU 87 1HG GLU 87 0.316 -5.653 -10.819 651 HA PRO 88 HA PRO 88 4.627 -2.978 -10.505 652 HB2 PRO 88 2HB PRO 88 3.556 -0.259 -9.984 653 HB3 PRO 88 1HB PRO 88 4.488 -0.856 -11.357 654 HG2 PRO 88 2HG PRO 88 1.630 -0.696 -11.108 655 HG3 PRO 88 1HG PRO 88 2.569 -1.319 -12.476 656 HD2 PRO 88 2HD PRO 88 0.936 -2.884 -10.911 657 HD3 PRO 88 1HD PRO 88 2.364 -3.511 -11.768 658 H ARG 89 HN ARG 89 6.357 -2.862 -9.416 659 HA ARG 89 HA ARG 89 6.151 -2.656 -6.511 660 HB2 ARG 89 2HB ARG 89 8.537 -3.577 -8.080 661 HB3 ARG 89 1HB ARG 89 8.087 -3.984 -6.428 662 HG2 ARG 89 2HG ARG 89 6.150 -5.213 -7.277 663 HG3 ARG 89 1HG ARG 89 6.656 -4.854 -8.925 664 HD2 ARG 89 2HD ARG 89 8.864 -5.931 -8.285 665 HD3 ARG 89 1HD ARG 89 8.015 -6.569 -6.881 666 HE ARG 89 HE ARG 89 6.498 -7.160 -9.163 667 HH11 ARG 89 1HH1 ARG 89 9.578 -8.057 -7.748 668 HH12 ARG 89 2HH1 ARG 89 9.567 -9.650 -8.437 669 HH21 ARG 89 1HH2 ARG 89 6.526 -9.232 -10.104 670 HH22 ARG 89 2HH2 ARG 89 7.862 -10.302 -9.806 671 H MET 90 HN MET 90 7.507 -1.138 -9.238 672 HA MET 90 HA MET 90 8.874 0.826 -7.542 673 HB2 MET 90 2HB MET 90 9.109 0.321 -10.519 674 HB3 MET 90 1HB MET 90 9.944 1.601 -9.650 675 HG2 MET 90 2HG MET 90 11.103 -0.105 -8.304 676 HG3 MET 90 1HG MET 90 10.306 -1.361 -9.246 677 HE1 MET 90 3HE MET 90 13.354 1.628 -10.995 678 HE2 MET 90 1HE MET 90 12.861 1.609 -9.303 679 HE3 MET 90 2HE MET 90 11.710 2.087 -10.552 680 H ALA 91 HN ALA 91 8.205 2.945 -7.582 681 HA ALA 91 HA ALA 91 5.619 3.337 -8.938 682 HB1 ALA 91 1HB ALA 91 6.443 4.306 -6.202 683 HB2 ALA 91 2HB ALA 91 5.301 3.008 -6.552 684 HB3 ALA 91 3HB ALA 91 4.911 4.669 -6.999 685 H ARG 92 HN ARG 92 5.103 5.379 -9.660 686 HA ARG 92 HA ARG 92 7.416 7.151 -10.042 687 HB2 ARG 92 2HB ARG 92 6.179 7.989 -12.054 688 HB3 ARG 92 1HB ARG 92 6.651 6.299 -12.156 689 HG2 ARG 92 2HG ARG 92 4.390 5.615 -11.587 690 HG3 ARG 92 1HG ARG 92 3.906 7.303 -11.426 691 HD2 ARG 92 2HD ARG 92 5.044 6.161 -13.965 692 HD3 ARG 92 1HD ARG 92 3.320 6.159 -13.607 693 HE ARG 92 HE ARG 92 3.765 8.723 -13.331 694 HH11 ARG 92 1HH1 ARG 92 5.223 6.582 -15.696 695 HH12 ARG 92 2HH1 ARG 92 5.300 7.802 -16.935 696 HH21 ARG 92 1HH2 ARG 92 3.874 10.332 -14.959 697 HH22 ARG 92 2HH2 ARG 92 4.553 9.925 -16.511 698 H VAL 93 HN VAL 93 7.372 9.021 -9.058 699 HA VAL 93 HA VAL 93 4.829 10.428 -8.756 700 HB VAL 93 HB VAL 93 5.160 9.511 -6.558 701 HG11 VAL 93 1HG1 VAL 93 7.177 9.896 -5.246 702 HG12 VAL 93 2HG1 VAL 93 7.927 10.686 -6.632 703 HG13 VAL 93 3HG1 VAL 93 7.518 8.971 -6.707 704 HG21 VAL 93 3HG2 VAL 93 5.411 11.554 -5.198 705 HG22 VAL 93 1HG2 VAL 93 4.343 11.780 -6.583 706 HG23 VAL 93 2HG2 VAL 93 5.990 12.406 -6.632 707 H GLN 94 HN GLN 94 4.980 12.616 -9.058 708 HA GLN 94 HA GLN 94 7.570 13.459 -10.162 709 HB2 GLN 94 2HB GLN 94 5.800 13.367 -11.814 710 HB3 GLN 94 1HB GLN 94 4.772 14.380 -10.812 711 HG2 GLN 94 2HG GLN 94 6.213 16.264 -11.139 712 HG3 GLN 94 1HG GLN 94 7.394 15.268 -11.984 713 HE21 GLN 94 1HE2 GLN 94 7.288 16.559 -13.793 714 HE22 GLN 94 2HE2 GLN 94 5.937 16.536 -14.862 715 H LEU 95 HN LEU 95 8.668 14.843 -9.026 716 HA LEU 95 HA LEU 95 7.257 16.815 -7.369 717 HB2 LEU 95 2HB LEU 95 10.160 15.966 -7.343 718 HB3 LEU 95 1HB LEU 95 9.459 17.184 -6.297 719 HG LEU 95 HG LEU 95 8.721 14.255 -6.304 720 HD11 LEU 95 1HD1 LEU 95 10.357 15.877 -4.358 721 HD12 LEU 95 2HD1 LEU 95 10.951 14.606 -5.426 722 HD13 LEU 95 3HD1 LEU 95 9.838 14.207 -4.119 723 HD21 LEU 95 3HD2 LEU 95 7.457 14.786 -4.284 724 HD22 LEU 95 1HD2 LEU 95 6.844 15.683 -5.673 725 HD23 LEU 95 2HD2 LEU 95 7.853 16.493 -4.474 726 H GLU 96 HN GLU 96 7.290 18.910 -7.964 727 HA GLU 96 HA GLU 96 9.167 19.701 -10.081 728 HB2 GLU 96 2HB GLU 96 7.042 19.194 -11.151 729 HB3 GLU 96 1HB GLU 96 6.191 20.231 -10.017 730 HG2 GLU 96 2HG GLU 96 7.291 22.182 -10.927 731 HG3 GLU 96 1HG GLU 96 8.241 21.167 -12.010 732 H GLU 97 HN GLU 97 9.953 21.759 -9.942 733 HA GLU 97 HA GLU 97 9.543 23.199 -7.492 734 HB2 GLU 97 2HB GLU 97 11.728 23.165 -8.728 735 HB3 GLU 97 1HB GLU 97 10.973 24.124 -9.994 736 HG2 GLU 97 2HG GLU 97 10.550 25.914 -8.373 737 HG3 GLU 97 1HG GLU 97 11.345 24.954 -7.125 738 H ARG 98 HN ARG 98 7.312 23.539 -7.564 739 HA ARG 98 HA ARG 98 6.442 25.654 -9.397 740 HB2 ARG 98 2HB ARG 98 5.771 23.301 -10.154 741 HB3 ARG 98 1HB ARG 98 4.726 23.260 -8.744 742 HG2 ARG 98 2HG ARG 98 3.414 23.866 -10.642 743 HG3 ARG 98 1HG ARG 98 3.584 25.294 -9.616 744 HD2 ARG 98 2HD ARG 98 3.883 25.862 -11.970 745 HD3 ARG 98 1HD ARG 98 5.371 26.121 -11.061 746 HE ARG 98 HE ARG 98 5.130 23.546 -12.392 747 HH11 ARG 98 1HH1 ARG 98 6.377 26.821 -12.502 748 HH12 ARG 98 2HH1 ARG 98 7.548 26.474 -13.731 749 HH21 ARG 98 1HH2 ARG 98 6.673 23.089 -14.033 750 HH22 ARG 98 2HH2 ARG 98 7.719 24.361 -14.605 751 H GLN 99 HN GLN 99 4.629 26.851 -8.620 752 HA GLN 99 HA GLN 99 4.320 26.757 -5.734 753 HB2 GLN 99 2HB GLN 99 3.133 28.989 -6.299 754 HB3 GLN 99 1HB GLN 99 4.882 28.929 -6.335 755 HG2 GLN 99 2HG GLN 99 4.850 28.747 -8.743 756 HG3 GLN 99 1HG GLN 99 3.091 28.654 -8.741 757 HE21 GLN 99 1HE2 GLN 99 2.841 30.677 -6.654 758 HE22 GLN 99 2HE2 GLN 99 3.153 32.196 -7.424 759 H THR 100 HN THR 100 2.868 24.940 -5.707 760 HA THR 100 HA THR 100 0.298 25.359 -7.036 761 HB THR 100 HB THR 100 1.094 22.914 -5.475 762 HG1 THR 100 1HG THR 100 2.666 23.038 -7.023 763 HG21 THR 100 3HG2 THR 100 -0.521 21.814 -6.962 764 HG22 THR 100 1HG2 THR 100 -0.837 23.356 -7.761 765 HG23 THR 100 2HG2 THR 100 -1.275 23.133 -6.067 766 H VAL 101 HN VAL 101 1.355 24.138 -3.960 767 HA VAL 101 HA VAL 101 0.724 24.330 -1.828 768 HB VAL 101 HB VAL 101 0.315 26.423 -0.874 769 HG11 VAL 101 1HG1 VAL 101 1.934 27.905 -1.983 770 HG12 VAL 101 2HG1 VAL 101 1.923 26.835 -3.386 771 HG13 VAL 101 3HG1 VAL 101 2.516 26.248 -1.829 772 HG21 VAL 101 3HG2 VAL 101 -1.633 27.123 -2.138 773 HG22 VAL 101 1HG2 VAL 101 -0.629 27.419 -3.559 774 HG23 VAL 101 2HG2 VAL 101 -0.423 28.406 -2.111 775 H SER 102 HN SER 102 -1.773 24.690 -4.113 776 HA SER 102 HA SER 102 -3.721 23.946 -2.040 777 HB2 SER 102 2HB SER 102 -4.182 26.153 -3.130 778 HB3 SER 102 1HB SER 102 -4.317 25.317 -4.676 779 HG SER 102 HG SER 102 -5.866 24.392 -2.531 780 H VAL 103 HN VAL 103 -3.769 21.784 -2.126 781 HA VAL 103 HA VAL 103 -4.342 20.546 -4.720 782 HB VAL 103 HB VAL 103 -2.974 18.534 -3.871 783 HG11 VAL 103 1HG1 VAL 103 -2.313 19.882 -5.780 784 HG12 VAL 103 2HG1 VAL 103 -0.902 19.455 -4.811 785 HG13 VAL 103 3HG1 VAL 103 -1.588 21.078 -4.707 786 HG21 VAL 103 3HG2 VAL 103 -1.752 20.720 -2.182 787 HG22 VAL 103 1HG2 VAL 103 -1.086 19.103 -2.407 788 HG23 VAL 103 2HG2 VAL 103 -2.630 19.314 -1.580 789 HA PRO 104 HA PRO 104 -7.592 19.017 -1.884 790 HB2 PRO 104 2HB PRO 104 -9.073 18.758 -4.402 791 HB3 PRO 104 1HB PRO 104 -9.498 19.662 -2.947 792 HG2 PRO 104 2HG PRO 104 -8.791 20.887 -5.244 793 HG3 PRO 104 1HG PRO 104 -8.405 21.565 -3.652 794 HD2 PRO 104 2HD PRO 104 -6.642 20.049 -5.542 795 HD3 PRO 104 1HD PRO 104 -6.273 21.488 -4.566 796 H VAL 105 HN VAL 105 -7.974 16.878 -1.464 797 HA VAL 105 HA VAL 105 -7.499 14.946 -3.605 798 HB VAL 105 HB VAL 105 -5.344 15.086 -2.550 799 HG11 VAL 105 1HG1 VAL 105 -4.990 14.571 -0.186 800 HG12 VAL 105 2HG1 VAL 105 -6.736 14.496 0.052 801 HG13 VAL 105 3HG1 VAL 105 -5.973 16.018 -0.407 802 HG21 VAL 105 3HG2 VAL 105 -6.773 12.578 -1.684 803 HG22 VAL 105 1HG2 VAL 105 -5.029 12.767 -1.859 804 HG23 VAL 105 2HG2 VAL 105 -6.075 12.880 -3.277 805 H THR 106 HN THR 106 -9.290 13.838 -3.735 806 HA THR 106 HA THR 106 -10.064 12.007 -1.773 807 HB THR 106 HB THR 106 -11.028 14.007 -0.643 808 HG1 THR 106 1HG THR 106 -13.127 13.048 -0.363 809 HG21 THR 106 3HG2 THR 106 -13.009 15.093 -1.605 810 HG22 THR 106 1HG2 THR 106 -12.798 14.162 -3.086 811 HG23 THR 106 2HG2 THR 106 -11.580 15.344 -2.608 812 H VAL 107 HN VAL 107 -12.438 11.159 -2.441 813 HA VAL 107 HA VAL 107 -12.200 10.641 -5.309 814 HB VAL 107 HB VAL 107 -12.352 8.753 -3.681 815 HG11 VAL 107 1HG1 VAL 107 -13.886 9.692 -2.076 816 HG12 VAL 107 2HG1 VAL 107 -14.544 8.186 -2.720 817 HG13 VAL 107 3HG1 VAL 107 -15.168 9.734 -3.287 818 HG21 VAL 107 3HG2 VAL 107 -14.571 8.909 -5.712 819 HG22 VAL 107 1HG2 VAL 107 -13.973 7.426 -4.967 820 HG23 VAL 107 2HG2 VAL 107 -12.914 8.381 -6.006 821 H GLU 108 HN GLU 108 -13.217 13.163 -4.239 822 HA GLU 108 HA GLU 108 -15.767 13.202 -5.672 823 HB2 GLU 108 2HB GLU 108 -16.316 13.149 -3.285 824 HB3 GLU 108 1HB GLU 108 -15.263 14.527 -2.997 825 HG2 GLU 108 2HG GLU 108 -17.576 15.213 -3.039 826 HG3 GLU 108 1HG GLU 108 -16.699 15.918 -4.394 827 H MET 109 HN MET 109 -15.906 14.810 -7.088 828 HA MET 109 HA MET 109 -14.005 17.046 -6.856 829 HB2 MET 109 2HB MET 109 -13.397 15.510 -8.704 830 HB3 MET 109 1HB MET 109 -14.988 15.756 -9.412 831 HG2 MET 109 2HG MET 109 -14.477 18.146 -9.683 832 HG3 MET 109 1HG MET 109 -12.866 17.857 -9.026 833 HE1 MET 109 3HE MET 109 -14.989 15.573 -11.450 834 HE2 MET 109 1HE MET 109 -14.408 16.130 -13.020 835 HE3 MET 109 2HE MET 109 -15.336 17.216 -11.989 836 H ILE 110 HN ILE 110 -15.396 18.498 -5.941 837 HA ILE 110 HA ILE 110 -17.503 19.504 -7.640 838 HB ILE 110 HB ILE 110 -18.665 17.747 -6.403 839 HG12 ILE 110 2HG1 ILE 110 -20.465 19.144 -5.408 840 HG13 ILE 110 1HG1 ILE 110 -19.414 20.546 -5.543 841 HG21 ILE 110 1HG2 ILE 110 -18.979 17.910 -3.983 842 HG22 ILE 110 2HG2 ILE 110 -17.836 19.252 -3.931 843 HG23 ILE 110 3HG2 ILE 110 -17.291 17.644 -4.417 844 HD11 ILE 110 3HD1 ILE 110 -21.002 20.515 -7.363 845 HD12 ILE 110 1HD1 ILE 110 -20.482 18.894 -7.819 846 HD13 ILE 110 2HD1 ILE 110 -19.374 20.256 -7.988 847 H ASN 111 HN ASN 111 -17.717 21.626 -7.461 848 HA ASN 111 HA ASN 111 -17.148 22.970 -4.933 849 HB2 ASN 111 2HB ASN 111 -15.095 23.174 -6.372 850 HB3 ASN 111 1HB ASN 111 -16.077 23.977 -7.589 851 HD21 ASN 111 1HD2 ASN 111 -13.758 24.982 -6.210 852 HD22 ASN 111 2HD2 ASN 111 -14.259 26.419 -5.386 853 H LEU 112 HN LEU 112 -19.352 23.203 -4.687 854 HA LEU 112 HA LEU 112 -20.894 24.261 -6.920 855 HB2 LEU 112 2HB LEU 112 -21.711 22.328 -5.573 856 HB3 LEU 112 1HB LEU 112 -21.841 23.393 -4.188 857 HG LEU 112 HG LEU 112 -23.546 24.712 -5.320 858 HD11 LEU 112 1HD1 LEU 112 -23.212 22.752 -7.591 859 HD12 LEU 112 2HD1 LEU 112 -22.785 24.463 -7.616 860 HD13 LEU 112 3HD1 LEU 112 -24.475 23.979 -7.466 861 HD21 LEU 112 3HD2 LEU 112 -25.316 23.010 -5.386 862 HD22 LEU 112 1HD2 LEU 112 -24.257 22.819 -3.988 863 HD23 LEU 112 2HD2 LEU 112 -24.083 21.747 -5.377 864 H GLU 113 HN GLU 113 -21.168 26.342 -7.164 865 HA GLU 113 HA GLU 113 -20.368 28.226 -5.180 866 HB2 GLU 113 2HB GLU 113 -21.141 29.912 -6.849 867 HB3 GLU 113 1HB GLU 113 -19.989 28.748 -7.489 868 HG2 GLU 113 2HG GLU 113 -21.823 27.499 -8.514 869 HG3 GLU 113 1HG GLU 113 -22.975 28.671 -7.876 870 H HIS 114 HN HIS 114 -21.617 28.214 -3.391 871 HA HIS 114 HA HIS 114 -24.294 29.327 -3.736 872 HB2 HIS 114 2HB HIS 114 -23.627 26.787 -2.312 873 HB3 HIS 114 1HB HIS 114 -24.876 27.821 -1.634 874 HD1 HIS 114 1HD HIS 114 -25.301 24.935 -2.898 875 HD2 HIS 114 2HD HIS 114 -26.103 28.589 -4.724 876 HE1 HIS 114 1HE HIS 114 -27.042 24.456 -4.654 877 HE2 HIS 114 2HE HIS 114 -27.348 26.638 -5.884 878 H HIS 115 HN HIS 115 -21.756 30.479 -3.061 879 HA HIS 115 HA HIS 115 -21.576 30.933 -0.277 880 HB2 HIS 115 2HB HIS 115 -20.188 32.922 -0.884 881 HB3 HIS 115 1HB HIS 115 -19.642 31.421 -1.609 882 HD1 HIS 115 1HD HIS 115 -19.438 31.357 -4.129 883 HD2 HIS 115 2HD HIS 115 -21.378 34.772 -2.747 884 HE1 HIS 115 1HE HIS 115 -19.623 32.887 -6.115 885 HE2 HIS 115 2HE HIS 115 -20.624 35.014 -5.213 886 H HIS 116 HN HIS 116 -22.877 31.989 0.989 887 HA HIS 116 HA HIS 116 -24.744 33.920 -0.220 888 HB2 HIS 116 2HB HIS 116 -26.522 33.055 1.261 889 HB3 HIS 116 1HB HIS 116 -25.941 31.827 0.144 890 HD1 HIS 116 1HD HIS 116 -26.488 32.494 3.702 891 HD2 HIS 116 2HD HIS 116 -24.226 29.847 1.422 892 HE1 HIS 116 1HE HIS 116 -25.798 30.655 5.276 893 HE2 HIS 116 2HE HIS 116 -24.269 29.176 3.918 894 H HIS 117 HN HIS 117 -25.128 35.743 0.891 895 HA HIS 117 HA HIS 117 -23.372 36.268 3.125 896 HB2 HIS 117 2HB HIS 117 -24.175 38.612 2.930 897 HB3 HIS 117 1HB HIS 117 -23.499 37.980 1.436 898 HD1 HIS 117 1HD HIS 117 -25.206 37.482 -0.517 899 HD2 HIS 117 2HD HIS 117 -26.807 39.427 2.801 900 HE1 HIS 117 1HE HIS 117 -27.411 38.431 -1.275 901 HE2 HIS 117 2HE HIS 117 -28.326 39.673 0.723 902 H HIS 118 HN HIS 118 -23.963 35.600 5.036 903 HA HIS 118 HA HIS 118 -26.775 35.527 5.791 904 HB2 HIS 118 2HB HIS 118 -25.368 33.581 6.319 905 HB3 HIS 118 1HB HIS 118 -24.293 34.601 7.266 906 HD1 HIS 118 1HD HIS 118 -24.853 34.916 9.678 907 HD2 HIS 118 2HD HIS 118 -28.000 33.264 7.510 908 HE1 HIS 118 1HE HIS 118 -26.587 34.259 11.381 909 HE2 HIS 118 2HE HIS 118 -28.358 33.050 10.063 910 H HIS 119 HN HIS 119 -27.703 36.890 7.258 911 HA HIS 119 HA HIS 119 -25.925 38.860 8.523 912 HB2 HIS 119 2HB HIS 119 -27.496 40.619 8.171 913 HB3 HIS 119 1HB HIS 119 -27.277 39.814 6.627 914 HD1 HIS 119 1HD HIS 119 -29.309 37.946 6.134 915 HD2 HIS 119 2HD HIS 119 -30.072 41.051 8.797 916 HE1 HIS 119 1HE HIS 119 -31.812 38.119 6.279 917 HE2 HIS 119 2HE HIS 119 -32.257 40.056 7.830 Start of MODEL 10 1 H1 MET 1 H1 MET 1 2.002 -32.708 -6.098 2 H2 MET 1 H2 MET 1 1.802 -31.043 -5.848 3 H3 MET 1 H3 MET 1 1.033 -31.800 -7.158 4 HA MET 1 HA MET 1 -0.269 -33.145 -5.596 5 HB2 MET 1 2HB MET 1 1.019 -31.283 -3.588 6 HB3 MET 1 1HB MET 1 -0.357 -32.323 -3.245 7 HG2 MET 1 2HG MET 1 0.975 -34.291 -3.643 8 HG3 MET 1 1HG MET 1 2.350 -33.298 -4.129 9 HE1 MET 1 2HE MET 1 2.525 -35.608 -1.910 10 HE2 MET 1 3HE MET 1 3.537 -34.803 -0.708 11 HE3 MET 1 1HE MET 1 3.895 -34.624 -2.425 12 HA PRO 2 HA PRO 2 -2.973 -29.775 -6.734 13 HB2 PRO 2 2HB PRO 2 -5.195 -31.570 -6.277 14 HB3 PRO 2 1HB PRO 2 -4.542 -30.997 -7.811 15 HG2 PRO 2 2HG PRO 2 -4.367 -33.586 -6.979 16 HG3 PRO 2 1HG PRO 2 -3.194 -32.828 -8.072 17 HD2 PRO 2 2HD PRO 2 -3.000 -33.306 -5.116 18 HD3 PRO 2 1HD PRO 2 -1.764 -33.528 -6.375 19 H THR 3 HN THR 3 -2.397 -30.854 -3.757 20 HA THR 3 HA THR 3 -4.721 -29.912 -2.353 21 HB THR 3 HB THR 3 -3.240 -30.148 -0.334 22 HG1 THR 3 1HG THR 3 -1.271 -29.781 -1.677 23 HG21 THR 3 3HG2 THR 3 -3.337 -32.540 -2.180 24 HG22 THR 3 1HG2 THR 3 -4.621 -32.022 -1.087 25 HG23 THR 3 2HG2 THR 3 -3.085 -32.594 -0.435 26 H PHE 4 HN PHE 4 -4.662 -28.054 -0.877 27 HA PHE 4 HA PHE 4 -3.610 -25.731 -2.034 28 HB2 PHE 4 2HB PHE 4 -4.821 -26.329 0.621 29 HB3 PHE 4 1HB PHE 4 -4.210 -24.735 0.250 30 HD1 PHE 4 2HD PHE 4 -6.693 -27.287 -0.724 31 HD2 PHE 4 1HD PHE 4 -5.434 -23.235 -1.090 32 HE1 PHE 4 2HE PHE 4 -8.827 -26.722 -1.812 33 HE2 PHE 4 1HE PHE 4 -7.564 -22.666 -2.176 34 HZ PHE 4 HZ PHE 4 -9.264 -24.408 -2.538 35 H ASP 5 HN ASP 5 -1.879 -24.456 -1.483 36 HA ASP 5 HA ASP 5 0.042 -25.487 0.442 37 HB2 ASP 5 2HB ASP 5 0.736 -26.527 -1.662 38 HB3 ASP 5 1HB ASP 5 0.714 -24.959 -2.466 39 H HIS 6 HN HIS 6 -0.131 -23.806 1.708 40 HA HIS 6 HA HIS 6 0.328 -21.752 2.580 41 HB2 HIS 6 2HB HIS 6 1.260 -20.955 -0.195 42 HB3 HIS 6 1HB HIS 6 1.461 -20.006 1.270 43 HD1 HIS 6 1HD HIS 6 4.026 -20.288 0.194 44 HD2 HIS 6 2HD HIS 6 2.344 -23.520 2.195 45 HE1 HIS 6 1HE HIS 6 5.950 -21.803 0.780 46 HE2 HIS 6 2HE HIS 6 4.866 -23.857 1.766 47 H GLY 7 HN GLY 7 -0.921 -19.961 2.921 48 HA2 GLY 7 2HA GLY 7 -3.309 -19.798 1.231 49 HA3 GLY 7 1HA GLY 7 -3.153 -19.164 2.865 50 H ASN 8 HN ASN 8 -4.245 -17.483 1.196 51 HA ASN 8 HA ASN 8 -2.149 -15.480 0.796 52 HB2 ASN 8 2HB ASN 8 -3.854 -14.936 -1.305 53 HB3 ASN 8 1HB ASN 8 -2.275 -15.695 -1.440 54 HD21 ASN 8 1HD2 ASN 8 -2.130 -17.826 -1.977 55 HD22 ASN 8 2HD2 ASN 8 -3.498 -18.797 -2.395 56 H LEU 9 HN LEU 9 -2.750 -13.435 1.263 57 HA LEU 9 HA LEU 9 -5.575 -12.966 1.929 58 HB2 LEU 9 2HB LEU 9 -4.286 -13.463 3.986 59 HB3 LEU 9 1HB LEU 9 -3.215 -12.124 3.617 60 HG LEU 9 HG LEU 9 -5.151 -10.574 3.802 61 HD11 LEU 9 1HD1 LEU 9 -6.606 -13.020 4.807 62 HD12 LEU 9 2HD1 LEU 9 -6.927 -12.184 3.287 63 HD13 LEU 9 3HD1 LEU 9 -7.219 -11.366 4.823 64 HD21 LEU 9 3HD2 LEU 9 -3.647 -10.931 5.692 65 HD22 LEU 9 1HD2 LEU 9 -4.635 -12.290 6.227 66 HD23 LEU 9 2HD2 LEU 9 -5.302 -10.658 6.239 67 H SER 10 HN SER 10 -6.340 -11.136 1.116 68 HA SER 10 HA SER 10 -4.529 -9.466 -0.418 69 HB2 SER 10 2HB SER 10 -7.550 -9.381 -0.231 70 HB3 SER 10 1HB SER 10 -6.547 -8.553 -1.424 71 HG SER 10 HG SER 10 -5.759 -10.852 -1.846 72 H LEU 11 HN LEU 11 -3.621 -7.755 0.545 73 HA LEU 11 HA LEU 11 -4.950 -6.282 2.643 74 HB2 LEU 11 2HB LEU 11 -2.493 -5.635 0.996 75 HB3 LEU 11 1HB LEU 11 -3.077 -4.654 2.327 76 HG LEU 11 HG LEU 11 -2.117 -7.510 2.579 77 HD11 LEU 11 1HD1 LEU 11 -0.294 -5.999 2.010 78 HD12 LEU 11 2HD1 LEU 11 -0.169 -6.527 3.688 79 HD13 LEU 11 3HD1 LEU 11 -0.772 -4.913 3.316 80 HD21 LEU 11 3HD2 LEU 11 -2.879 -5.462 4.661 81 HD22 LEU 11 1HD2 LEU 11 -2.151 -7.031 4.993 82 HD23 LEU 11 2HD2 LEU 11 -3.760 -6.942 4.276 83 H GLY 12 HN GLY 12 -4.793 -6.326 -0.772 84 HA2 GLY 12 2HA GLY 12 -6.299 -5.349 -2.246 85 HA3 GLY 12 1HA GLY 12 -6.905 -4.350 -0.930 86 H GLU 13 HN GLU 13 -6.851 -2.571 -2.429 87 HA GLU 13 HA GLU 13 -4.209 -1.625 -3.163 88 HB2 GLU 13 2HB GLU 13 -5.417 0.275 -4.208 89 HB3 GLU 13 1HB GLU 13 -5.934 -1.293 -4.809 90 HG2 GLU 13 2HG GLU 13 -7.860 -1.143 -3.195 91 HG3 GLU 13 1HG GLU 13 -7.390 0.535 -2.924 92 H LEU 14 HN LEU 14 -3.010 -0.530 -1.836 93 HA LEU 14 HA LEU 14 -4.271 0.840 0.441 94 HB2 LEU 14 2HB LEU 14 -1.461 -0.220 0.121 95 HB3 LEU 14 1HB LEU 14 -2.060 0.626 1.534 96 HG LEU 14 HG LEU 14 -3.113 -2.023 0.537 97 HD11 LEU 14 1HD1 LEU 14 -1.967 -2.979 2.460 98 HD12 LEU 14 2HD1 LEU 14 -1.309 -1.394 2.868 99 HD13 LEU 14 3HD1 LEU 14 -0.822 -2.193 1.374 100 HD21 LEU 14 3HD2 LEU 14 -3.655 -0.496 3.083 101 HD22 LEU 14 1HD2 LEU 14 -4.283 -2.093 2.677 102 HD23 LEU 14 2HD2 LEU 14 -4.779 -0.686 1.735 103 H GLU 15 HN GLU 15 -3.518 2.895 1.056 104 HA GLU 15 HA GLU 15 -2.732 4.543 -1.172 105 HB2 GLU 15 2HB GLU 15 -3.260 5.219 1.726 106 HB3 GLU 15 1HB GLU 15 -2.933 6.406 0.472 107 HG2 GLU 15 2HG GLU 15 -4.938 5.724 -0.719 108 HG3 GLU 15 1HG GLU 15 -5.260 4.498 0.504 109 H LEU 16 HN LEU 16 -0.800 5.370 -1.600 110 HA LEU 16 HA LEU 16 1.432 4.428 0.028 111 HB2 LEU 16 2HB LEU 16 1.372 3.972 -2.411 112 HB3 LEU 16 1HB LEU 16 1.407 5.697 -2.715 113 HG LEU 16 HG LEU 16 3.633 4.470 -1.136 114 HD11 LEU 16 1HD1 LEU 16 3.352 3.009 -3.084 115 HD12 LEU 16 2HD1 LEU 16 4.829 3.967 -3.196 116 HD13 LEU 16 3HD1 LEU 16 3.410 4.416 -4.144 117 HD21 LEU 16 3HD2 LEU 16 3.494 6.909 -1.411 118 HD22 LEU 16 1HD2 LEU 16 3.505 6.705 -3.161 119 HD23 LEU 16 2HD2 LEU 16 4.917 6.238 -2.211 120 H THR 17 HN THR 17 2.747 5.731 1.133 121 HA THR 17 HA THR 17 2.124 8.598 1.157 122 HB THR 17 HB THR 17 3.732 7.017 3.178 123 HG1 THR 17 1HG THR 17 1.170 6.829 2.731 124 HG21 THR 17 3HG2 THR 17 2.444 9.748 3.322 125 HG22 THR 17 1HG2 THR 17 4.171 9.430 3.183 126 HG23 THR 17 2HG2 THR 17 3.298 8.942 4.637 127 H VAL 18 HN VAL 18 3.573 10.038 0.420 128 HA VAL 18 HA VAL 18 6.181 9.006 -0.461 129 HB VAL 18 HB VAL 18 4.710 11.486 -1.379 130 HG11 VAL 18 1HG1 VAL 18 7.135 11.750 -1.514 131 HG12 VAL 18 2HG1 VAL 18 6.422 11.627 -3.122 132 HG13 VAL 18 3HG1 VAL 18 7.258 10.240 -2.422 133 HG21 VAL 18 3HG2 VAL 18 3.609 9.452 -2.130 134 HG22 VAL 18 1HG2 VAL 18 5.136 8.848 -2.775 135 HG23 VAL 18 2HG2 VAL 18 4.383 10.278 -3.484 136 H LEU 19 HN LEU 19 7.925 9.624 0.601 137 HA LEU 19 HA LEU 19 7.737 11.912 2.424 138 HB2 LEU 19 2HB LEU 19 9.853 9.763 2.212 139 HB3 LEU 19 1HB LEU 19 9.778 11.012 3.443 140 HG LEU 19 HG LEU 19 7.736 8.824 3.055 141 HD11 LEU 19 1HD1 LEU 19 8.616 7.914 5.137 142 HD12 LEU 19 2HD1 LEU 19 9.861 9.164 5.163 143 HD13 LEU 19 3HD1 LEU 19 9.850 7.955 3.878 144 HD21 LEU 19 3HD2 LEU 19 7.992 10.931 5.199 145 HD22 LEU 19 1HD2 LEU 19 6.831 9.604 5.197 146 HD23 LEU 19 2HD2 LEU 19 6.745 10.854 3.956 147 H TYR 20 HN TYR 20 8.545 13.773 1.798 148 HA TYR 20 HA TYR 20 10.829 13.932 0.012 149 HB2 TYR 20 2HB TYR 20 9.665 15.206 -1.711 150 HB3 TYR 20 1HB TYR 20 8.895 13.636 -1.527 151 HD1 TYR 20 1HD TYR 20 6.866 13.639 0.215 152 HD2 TYR 20 2HD TYR 20 8.301 17.063 -1.863 153 HE1 TYR 20 1HE TYR 20 4.703 14.746 0.559 154 HE2 TYR 20 2HE TYR 20 6.135 18.183 -1.521 155 HH TYR 20 HH TYR 20 3.891 17.190 0.693 156 H ASP 21 HN ASP 21 11.061 16.431 -0.580 157 HA ASP 21 HA ASP 21 10.812 17.876 1.957 158 HB2 ASP 21 2HB ASP 21 13.042 17.707 0.742 159 HB3 ASP 21 1HB ASP 21 12.351 18.742 -0.502 160 H GLU 22 HN GLU 22 8.923 18.909 2.122 161 HA GLU 22 HA GLU 22 7.347 19.621 -0.147 162 HB2 GLU 22 2HB GLU 22 6.993 20.490 2.723 163 HB3 GLU 22 1HB GLU 22 5.781 20.564 1.454 164 HG2 GLU 22 2HG GLU 22 5.950 18.059 1.294 165 HG3 GLU 22 1HG GLU 22 6.927 18.116 2.763 166 H GLU 23 HN GLU 23 9.620 21.295 1.861 167 HA GLU 23 HA GLU 23 8.857 23.931 1.169 168 HB2 GLU 23 2HB GLU 23 11.362 22.746 2.355 169 HB3 GLU 23 1HB GLU 23 11.127 24.471 2.128 170 HG2 GLU 23 2HG GLU 23 10.665 23.754 4.409 171 HG3 GLU 23 1HG GLU 23 9.259 24.465 3.634 172 H ARG 24 HN ARG 24 10.144 21.576 -0.744 173 HA ARG 24 HA ARG 24 11.739 23.469 -2.320 174 HB2 ARG 24 2HB ARG 24 11.748 20.467 -2.180 175 HB3 ARG 24 1HB ARG 24 12.544 21.348 -3.473 176 HG2 ARG 24 2HG ARG 24 13.147 21.622 -0.540 177 HG3 ARG 24 1HG ARG 24 14.095 20.698 -1.706 178 HD2 ARG 24 2HD ARG 24 14.515 22.761 -2.972 179 HD3 ARG 24 1HD ARG 24 13.601 23.674 -1.772 180 HE ARG 24 HE ARG 24 15.332 22.861 -0.144 181 HH11 ARG 24 1HH1 ARG 24 16.030 23.302 -3.556 182 HH12 ARG 24 2HH1 ARG 24 17.735 23.515 -3.302 183 HH21 ARG 24 1HH2 ARG 24 17.565 23.168 0.189 184 HH22 ARG 24 2HH2 ARG 24 18.620 23.413 -1.181 185 H TYR 25 HN TYR 25 9.747 20.582 -3.093 186 HA TYR 25 HA TYR 25 8.804 22.070 -5.456 187 HB2 TYR 25 2HB TYR 25 9.442 19.118 -5.422 188 HB3 TYR 25 1HB TYR 25 9.075 20.121 -6.820 189 HD1 TYR 25 2HD TYR 25 10.758 21.953 -7.452 190 HD2 TYR 25 1HD TYR 25 11.658 18.829 -4.701 191 HE1 TYR 25 2HE TYR 25 13.159 22.378 -7.756 192 HE2 TYR 25 1HE TYR 25 14.060 19.254 -5.002 193 HH TYR 25 HH TYR 25 15.572 20.245 -6.628 194 H ASP 26 HN ASP 26 6.846 21.103 -6.453 195 HA ASP 26 HA ASP 26 5.059 20.008 -4.381 196 HB2 ASP 26 2HB ASP 26 4.554 21.847 -6.691 197 HB3 ASP 26 1HB ASP 26 3.257 20.803 -6.126 198 H ILE 27 HN ILE 27 3.373 18.551 -5.156 199 HA ILE 27 HA ILE 27 4.571 16.562 -6.915 200 HB ILE 27 HB ILE 27 2.046 16.383 -5.262 201 HG12 ILE 27 2HG1 ILE 27 4.830 15.341 -4.669 202 HG13 ILE 27 1HG1 ILE 27 4.076 16.726 -3.885 203 HG21 ILE 27 1HG2 ILE 27 2.252 13.970 -5.599 204 HG22 ILE 27 2HG2 ILE 27 3.666 14.231 -6.619 205 HG23 ILE 27 3HG2 ILE 27 2.086 14.819 -7.136 206 HD11 ILE 27 3HD1 ILE 27 3.092 13.886 -3.753 207 HD12 ILE 27 1HD1 ILE 27 2.366 15.275 -2.943 208 HD13 ILE 27 2HD1 ILE 27 3.983 14.735 -2.490 209 H VAL 28 HN VAL 28 4.146 16.627 -9.000 210 HA VAL 28 HA VAL 28 1.706 17.861 -9.995 211 HB VAL 28 HB VAL 28 3.943 16.550 -11.558 212 HG11 VAL 28 1HG1 VAL 28 1.837 16.729 -12.794 213 HG12 VAL 28 2HG1 VAL 28 3.077 17.793 -13.458 214 HG13 VAL 28 3HG1 VAL 28 1.788 18.461 -12.455 215 HG21 VAL 28 3HG2 VAL 28 4.750 18.841 -11.955 216 HG22 VAL 28 1HG2 VAL 28 4.807 18.403 -10.249 217 HG23 VAL 28 2HG2 VAL 28 3.523 19.453 -10.847 218 H GLU 29 HN GLU 29 3.294 14.697 -10.021 219 HA GLU 29 HA GLU 29 0.662 13.445 -10.150 220 HB2 GLU 29 2HB GLU 29 1.463 13.484 -12.479 221 HB3 GLU 29 1HB GLU 29 2.952 12.691 -11.983 222 HG2 GLU 29 2HG GLU 29 1.707 10.711 -11.330 223 HG3 GLU 29 1HG GLU 29 0.195 11.506 -11.764 224 H GLN 30 HN GLN 30 0.685 11.267 -9.333 225 HA GLN 30 HA GLN 30 3.083 10.437 -7.899 226 HB2 GLN 30 2HB GLN 30 1.931 12.075 -6.424 227 HB3 GLN 30 1HB GLN 30 0.471 11.100 -6.508 228 HG2 GLN 30 2HG GLN 30 1.858 9.222 -5.501 229 HG3 GLN 30 1HG GLN 30 3.070 10.459 -5.155 230 HE21 GLN 30 1HE2 GLN 30 2.562 12.110 -3.683 231 HE22 GLN 30 2HE2 GLN 30 1.280 11.937 -2.540 232 H THR 31 HN THR 31 2.930 8.233 -7.156 233 HA THR 31 HA THR 31 0.776 6.652 -8.310 234 HB THR 31 HB THR 31 3.061 5.694 -6.570 235 HG1 THR 31 1HG THR 31 3.303 6.827 -8.896 236 HG21 THR 31 3HG2 THR 31 2.652 3.542 -7.645 237 HG22 THR 31 1HG2 THR 31 1.350 4.249 -8.603 238 HG23 THR 31 2HG2 THR 31 1.186 4.118 -6.853 239 H GLU 32 HN GLU 32 -1.093 6.859 -7.187 240 HA GLU 32 HA GLU 32 -1.053 7.746 -4.470 241 HB2 GLU 32 2HB GLU 32 -3.525 6.843 -5.917 242 HB3 GLU 32 1HB GLU 32 -3.363 8.083 -4.682 243 HG2 GLU 32 2HG GLU 32 -3.510 9.476 -6.427 244 HG3 GLU 32 1HG GLU 32 -1.793 9.121 -6.606 245 H THR 33 HN THR 33 -2.253 4.777 -6.035 246 HA THR 33 HA THR 33 -2.200 3.517 -3.382 247 HB THR 33 HB THR 33 -4.194 2.144 -4.201 248 HG1 THR 33 1HG THR 33 -4.955 4.307 -5.783 249 HG21 THR 33 3HG2 THR 33 -4.380 3.843 -2.445 250 HG22 THR 33 1HG2 THR 33 -5.812 3.830 -3.474 251 HG23 THR 33 2HG2 THR 33 -4.597 5.091 -3.673 252 H VAL 34 HN VAL 34 -1.749 1.316 -3.320 253 HA VAL 34 HA VAL 34 -0.811 0.120 -5.840 254 HB VAL 34 HB VAL 34 0.976 -1.025 -4.509 255 HG11 VAL 34 1HG1 VAL 34 1.529 0.840 -5.905 256 HG12 VAL 34 2HG1 VAL 34 2.451 0.952 -4.404 257 HG13 VAL 34 3HG1 VAL 34 1.037 1.979 -4.651 258 HG21 VAL 34 3HG2 VAL 34 -0.029 -0.727 -2.284 259 HG22 VAL 34 1HG2 VAL 34 0.246 1.010 -2.399 260 HG23 VAL 34 2HG2 VAL 34 1.616 -0.099 -2.349 261 H GLN 35 HN GLN 35 -1.091 -2.098 -6.046 262 HA GLN 35 HA GLN 35 -3.075 -3.252 -4.250 263 HB2 GLN 35 2HB GLN 35 -2.009 -4.142 -6.935 264 HB3 GLN 35 1HB GLN 35 -3.169 -5.068 -5.989 265 HG2 GLN 35 2HG GLN 35 -4.805 -3.358 -6.163 266 HG3 GLN 35 1HG GLN 35 -3.640 -2.238 -6.865 267 HE21 GLN 35 1HE2 GLN 35 -3.040 -2.477 -9.014 268 HE22 GLN 35 2HE2 GLN 35 -3.932 -3.465 -10.116 269 H VAL 36 HN VAL 36 -2.514 -4.533 -2.672 270 HA VAL 36 HA VAL 36 0.046 -5.993 -2.846 271 HB VAL 36 HB VAL 36 -1.160 -4.908 -0.302 272 HG11 VAL 36 1HG1 VAL 36 0.241 -6.863 0.012 273 HG12 VAL 36 2HG1 VAL 36 1.037 -5.425 0.654 274 HG13 VAL 36 3HG1 VAL 36 1.545 -6.096 -0.896 275 HG21 VAL 36 3HG2 VAL 36 -0.475 -3.044 -1.701 276 HG22 VAL 36 1HG2 VAL 36 1.111 -3.781 -1.931 277 HG23 VAL 36 2HG2 VAL 36 0.621 -3.224 -0.331 278 H ASP 37 HN ASP 37 -0.195 -8.090 -2.808 279 HA ASP 37 HA ASP 37 -2.262 -9.296 -1.085 280 HB2 ASP 37 2HB ASP 37 -2.929 -9.358 -3.533 281 HB3 ASP 37 1HB ASP 37 -1.505 -10.349 -3.824 282 H LEU 38 HN LEU 38 -1.412 -10.907 0.201 283 HA LEU 38 HA LEU 38 1.334 -11.709 -0.436 284 HB2 LEU 38 2HB LEU 38 1.590 -11.759 2.167 285 HB3 LEU 38 1HB LEU 38 1.854 -10.293 1.248 286 HG LEU 38 HG LEU 38 -0.563 -9.686 1.809 287 HD11 LEU 38 1HD1 LEU 38 -0.135 -11.857 3.853 288 HD12 LEU 38 2HD1 LEU 38 -1.317 -11.876 2.543 289 HD13 LEU 38 3HD1 LEU 38 -1.461 -10.693 3.844 290 HD21 LEU 38 3HD2 LEU 38 1.473 -9.885 4.017 291 HD22 LEU 38 1HD2 LEU 38 0.093 -8.786 3.971 292 HD23 LEU 38 2HD2 LEU 38 1.393 -8.620 2.790 293 H GLU 39 HN GLU 39 1.992 -13.733 0.069 294 HA GLU 39 HA GLU 39 -0.115 -15.588 0.958 295 HB2 GLU 39 2HB GLU 39 2.045 -16.069 -1.099 296 HB3 GLU 39 1HB GLU 39 0.932 -17.291 -0.502 297 HG2 GLU 39 2HG GLU 39 -0.942 -16.049 -1.407 298 HG3 GLU 39 1HG GLU 39 0.160 -14.801 -1.968 299 H GLY 40 HN GLY 40 0.767 -17.647 1.741 300 HA2 GLY 40 2HA GLY 40 3.116 -18.503 2.526 301 HA3 GLY 40 1HA GLY 40 2.988 -17.105 3.583 302 HA PRO 41 HA PRO 41 1.305 -20.690 6.008 303 HB2 PRO 41 2HB PRO 41 2.218 -18.812 8.124 304 HB3 PRO 41 1HB PRO 41 2.446 -20.559 7.997 305 HG2 PRO 41 2HG PRO 41 4.461 -18.890 7.523 306 HG3 PRO 41 1HG PRO 41 4.242 -20.353 6.541 307 HD2 PRO 41 2HD PRO 41 3.603 -17.507 5.881 308 HD3 PRO 41 1HD PRO 41 4.262 -18.785 4.839 309 H ARG 42 HN ARG 42 -0.821 -20.637 6.134 310 HA ARG 42 HA ARG 42 -2.509 -18.453 6.216 311 HB2 ARG 42 2HB ARG 42 -2.862 -21.291 7.118 312 HB3 ARG 42 1HB ARG 42 -4.166 -20.128 7.275 313 HG2 ARG 42 2HG ARG 42 -4.188 -19.772 4.882 314 HG3 ARG 42 1HG ARG 42 -2.806 -20.853 4.685 315 HD2 ARG 42 2HD ARG 42 -4.069 -22.743 5.353 316 HD3 ARG 42 1HD ARG 42 -5.384 -21.739 5.957 317 HE ARG 42 HE ARG 42 -5.395 -21.102 3.366 318 HH11 ARG 42 1HH1 ARG 42 -5.163 -24.230 4.915 319 HH12 ARG 42 2HH1 ARG 42 -6.080 -25.054 3.692 320 HH21 ARG 42 1HH2 ARG 42 -6.623 -22.171 1.753 321 HH22 ARG 42 2HH2 ARG 42 -6.943 -23.879 1.906 322 H GLY 43 HN GLY 43 -0.903 -20.036 8.887 323 HA2 GLY 43 2HA GLY 43 -2.461 -19.071 11.003 324 HA3 GLY 43 1HA GLY 43 -0.769 -19.528 11.115 325 H VAL 44 HN VAL 44 0.508 -17.685 9.590 326 HA VAL 44 HA VAL 44 0.595 -15.440 11.289 327 HB VAL 44 HB VAL 44 1.679 -15.636 8.471 328 HG11 VAL 44 1HG1 VAL 44 2.413 -13.819 10.762 329 HG12 VAL 44 2HG1 VAL 44 1.602 -13.349 9.267 330 HG13 VAL 44 3HG1 VAL 44 3.270 -13.919 9.225 331 HG21 VAL 44 3HG2 VAL 44 3.822 -16.224 9.556 332 HG22 VAL 44 1HG2 VAL 44 2.567 -17.445 9.793 333 HG23 VAL 44 2HG2 VAL 44 2.974 -16.334 11.101 334 H LEU 45 HN LEU 45 -0.855 -15.982 8.132 335 HA LEU 45 HA LEU 45 -1.631 -13.362 7.543 336 HB2 LEU 45 2HB LEU 45 -3.069 -15.906 6.781 337 HB3 LEU 45 1HB LEU 45 -3.217 -14.353 5.981 338 HG LEU 45 HG LEU 45 -0.731 -16.063 6.058 339 HD11 LEU 45 1HD1 LEU 45 -2.681 -15.480 3.836 340 HD12 LEU 45 2HD1 LEU 45 -2.460 -17.025 4.661 341 HD13 LEU 45 3HD1 LEU 45 -1.164 -16.363 3.665 342 HD21 LEU 45 3HD2 LEU 45 -0.203 -13.693 5.993 343 HD22 LEU 45 1HD2 LEU 45 -1.296 -13.473 4.627 344 HD23 LEU 45 2HD2 LEU 45 0.156 -14.458 4.444 345 H THR 46 HN THR 46 -3.424 -15.956 9.180 346 HA THR 46 HA THR 46 -5.826 -14.461 9.419 347 HB THR 46 HB THR 46 -4.994 -16.840 11.095 348 HG1 THR 46 1HG THR 46 -4.807 -17.537 9.006 349 HG21 THR 46 3HG2 THR 46 -7.717 -15.838 10.253 350 HG22 THR 46 1HG2 THR 46 -7.014 -15.671 11.862 351 HG23 THR 46 2HG2 THR 46 -7.394 -17.273 11.227 352 H VAL 47 HN VAL 47 -3.155 -15.120 11.691 353 HA VAL 47 HA VAL 47 -4.309 -13.868 13.932 354 HB VAL 47 HB VAL 47 -1.388 -14.216 13.227 355 HG11 VAL 47 1HG1 VAL 47 -0.948 -13.894 15.620 356 HG12 VAL 47 2HG1 VAL 47 -2.647 -13.495 15.869 357 HG13 VAL 47 3HG1 VAL 47 -1.634 -12.451 14.875 358 HG21 VAL 47 3HG2 VAL 47 -1.482 -16.112 14.765 359 HG22 VAL 47 1HG2 VAL 47 -2.606 -16.319 13.422 360 HG23 VAL 47 2HG2 VAL 47 -3.205 -15.833 15.009 361 H PHE 48 HN PHE 48 -2.217 -12.623 11.369 362 HA PHE 48 HA PHE 48 -1.945 -9.999 12.372 363 HB2 PHE 48 2HB PHE 48 -0.462 -10.966 10.664 364 HB3 PHE 48 1HB PHE 48 -1.798 -11.010 9.522 365 HD1 PHE 48 1HD PHE 48 0.338 -8.722 11.500 366 HD2 PHE 48 2HD PHE 48 -2.298 -9.155 8.189 367 HE1 PHE 48 1HE PHE 48 0.941 -6.463 10.730 368 HE2 PHE 48 2HE PHE 48 -1.699 -6.899 7.412 369 HZ PHE 48 HZ PHE 48 -0.078 -5.550 8.681 370 H ARG 49 HN ARG 49 -4.360 -11.570 10.396 371 HA ARG 49 HA ARG 49 -5.711 -9.366 9.366 372 HB2 ARG 49 2HB ARG 49 -5.886 -11.931 8.895 373 HB3 ARG 49 1HB ARG 49 -7.113 -11.898 10.152 374 HG2 ARG 49 2HG ARG 49 -7.591 -9.801 8.290 375 HG3 ARG 49 1HG ARG 49 -7.396 -11.321 7.430 376 HD2 ARG 49 2HD ARG 49 -9.729 -11.002 7.972 377 HD3 ARG 49 1HD ARG 49 -9.082 -12.342 8.918 378 HE ARG 49 HE ARG 49 -8.908 -9.919 10.381 379 HH11 ARG 49 1HH1 ARG 49 -11.220 -12.328 9.305 380 HH12 ARG 49 2HH1 ARG 49 -12.327 -12.026 10.614 381 HH21 ARG 49 1HH2 ARG 49 -10.353 -9.552 12.124 382 HH22 ARG 49 2HH2 ARG 49 -11.819 -10.481 12.235 383 H PHE 50 HN PHE 50 -5.606 -10.560 12.585 384 HA PHE 50 HA PHE 50 -8.209 -9.602 13.351 385 HB2 PHE 50 2HB PHE 50 -5.890 -10.799 14.837 386 HB3 PHE 50 1HB PHE 50 -7.318 -10.199 15.655 387 HD1 PHE 50 2HD PHE 50 -9.569 -11.087 14.270 388 HD2 PHE 50 1HD PHE 50 -5.821 -13.063 14.682 389 HE1 PHE 50 2HE PHE 50 -10.667 -13.254 13.871 390 HE2 PHE 50 1HE PHE 50 -6.911 -15.228 14.284 391 HZ PHE 50 HZ PHE 50 -9.338 -15.327 13.876 392 H ALA 51 HN ALA 51 -5.051 -8.305 13.174 393 HA ALA 51 HA ALA 51 -5.588 -6.231 15.142 394 HB1 ALA 51 1HB ALA 51 -3.115 -6.745 13.494 395 HB2 ALA 51 2HB ALA 51 -3.384 -7.284 15.151 396 HB3 ALA 51 3HB ALA 51 -3.270 -5.561 14.793 397 H ARG 52 HN ARG 52 -5.390 -3.994 14.623 398 HA ARG 52 HA ARG 52 -6.475 -3.304 12.058 399 HB2 ARG 52 2HB ARG 52 -5.703 -1.699 14.479 400 HB3 ARG 52 1HB ARG 52 -6.331 -0.980 13.015 401 HG2 ARG 52 2HG ARG 52 -8.330 -2.541 13.309 402 HG3 ARG 52 1HG ARG 52 -7.715 -2.797 14.945 403 HD2 ARG 52 2HD ARG 52 -8.510 -0.164 13.712 404 HD3 ARG 52 1HD ARG 52 -9.400 -1.054 14.945 405 HE ARG 52 HE ARG 52 -7.158 -0.699 16.245 406 HH11 ARG 52 1HH1 ARG 52 -8.808 1.561 14.147 407 HH12 ARG 52 2HH1 ARG 52 -8.225 2.966 14.976 408 HH21 ARG 52 1HH2 ARG 52 -6.361 1.149 17.338 409 HH22 ARG 52 2HH2 ARG 52 -6.839 2.730 16.804 410 HA PRO 53 HA PRO 53 -2.826 -2.447 9.920 411 HB2 PRO 53 2HB PRO 53 -3.774 0.084 8.854 412 HB3 PRO 53 1HB PRO 53 -3.522 -1.451 8.025 413 HG2 PRO 53 2HG PRO 53 -5.990 -0.419 8.494 414 HG3 PRO 53 1HG PRO 53 -5.669 -2.159 8.394 415 HD2 PRO 53 2HD PRO 53 -6.080 -0.441 10.801 416 HD3 PRO 53 1HD PRO 53 -6.610 -2.109 10.496 417 H SER 54 HN SER 54 -1.002 -1.862 10.836 418 HA SER 54 HA SER 54 -0.591 0.962 11.462 419 HB2 SER 54 2HB SER 54 0.631 -1.528 12.628 420 HB3 SER 54 1HB SER 54 1.271 0.074 12.895 421 HG SER 54 HG SER 54 -1.366 0.058 13.370 422 H TYR 55 HN TYR 55 -0.334 -1.073 9.116 423 HA TYR 55 HA TYR 55 2.475 -0.716 8.438 424 HB2 TYR 55 2HB TYR 55 1.920 -2.264 6.534 425 HB3 TYR 55 1HB TYR 55 1.708 -2.962 8.135 426 HD1 TYR 55 2HD TYR 55 0.000 -1.811 5.099 427 HD2 TYR 55 1HD TYR 55 -0.502 -3.519 8.966 428 HE1 TYR 55 2HE TYR 55 -2.303 -2.441 4.519 429 HE2 TYR 55 1HE TYR 55 -2.803 -4.154 8.390 430 HH TYR 55 HH TYR 55 -4.004 -4.087 5.239 431 H GLU 56 HN GLU 56 3.168 0.544 6.799 432 HA GLU 56 HA GLU 56 1.155 1.889 5.143 433 HB2 GLU 56 2HB GLU 56 3.433 3.285 6.559 434 HB3 GLU 56 1HB GLU 56 2.312 4.034 5.433 435 HG2 GLU 56 2HG GLU 56 0.464 3.546 6.980 436 HG3 GLU 56 1HG GLU 56 1.620 2.862 8.121 437 H VAL 57 HN VAL 57 1.963 2.694 3.152 438 HA VAL 57 HA VAL 57 4.387 1.311 2.228 439 HB VAL 57 HB VAL 57 2.195 2.583 0.572 440 HG11 VAL 57 1HG1 VAL 57 3.146 1.265 -1.259 441 HG12 VAL 57 2HG1 VAL 57 4.423 0.704 -0.180 442 HG13 VAL 57 3HG1 VAL 57 4.305 2.415 -0.594 443 HG21 VAL 57 3HG2 VAL 57 2.565 -0.331 1.261 444 HG22 VAL 57 1HG2 VAL 57 1.356 0.331 0.161 445 HG23 VAL 57 2HG2 VAL 57 1.295 0.726 1.880 446 H PHE 58 HN PHE 58 6.148 2.507 1.563 447 HA PHE 58 HA PHE 58 5.791 5.431 1.533 448 HB2 PHE 58 2HB PHE 58 7.968 3.898 2.968 449 HB3 PHE 58 1HB PHE 58 7.975 5.639 2.729 450 HD1 PHE 58 1HD PHE 58 5.996 6.952 3.703 451 HD2 PHE 58 2HD PHE 58 6.994 2.974 4.837 452 HE1 PHE 58 1HE PHE 58 4.770 7.250 5.815 453 HE2 PHE 58 2HE PHE 58 5.767 3.260 6.948 454 HZ PHE 58 HZ PHE 58 4.653 5.400 7.439 455 H VAL 59 HN VAL 59 7.129 6.599 0.231 456 HA VAL 59 HA VAL 59 9.326 5.215 -1.140 457 HB VAL 59 HB VAL 59 7.512 7.234 -2.461 458 HG11 VAL 59 1HG1 VAL 59 8.795 6.741 -4.482 459 HG12 VAL 59 2HG1 VAL 59 9.831 5.659 -3.553 460 HG13 VAL 59 3HG1 VAL 59 9.829 7.390 -3.207 461 HG21 VAL 59 3HG2 VAL 59 7.784 4.274 -2.935 462 HG22 VAL 59 1HG2 VAL 59 6.853 5.381 -3.942 463 HG23 VAL 59 2HG2 VAL 59 6.375 5.104 -2.267 464 H ASP 60 HN ASP 60 11.179 6.370 -1.168 465 HA ASP 60 HA ASP 60 11.159 8.875 0.355 466 HB2 ASP 60 2HB ASP 60 13.407 6.946 -0.252 467 HB3 ASP 60 1HB ASP 60 13.624 8.468 0.604 468 H LEU 61 HN LEU 61 11.107 10.642 -0.845 469 HA LEU 61 HA LEU 61 12.800 10.760 -3.250 470 HB2 LEU 61 2HB LEU 61 9.957 11.727 -2.954 471 HB3 LEU 61 1HB LEU 61 10.992 12.119 -4.314 472 HG LEU 61 HG LEU 61 10.178 9.311 -3.555 473 HD11 LEU 61 1HD1 LEU 61 8.241 10.587 -4.280 474 HD12 LEU 61 2HD1 LEU 61 8.707 9.406 -5.504 475 HD13 LEU 61 3HD1 LEU 61 9.109 11.111 -5.723 476 HD21 LEU 61 3HD2 LEU 61 11.580 10.429 -5.979 477 HD22 LEU 61 1HD2 LEU 61 11.037 8.761 -5.791 478 HD23 LEU 61 2HD2 LEU 61 12.291 9.404 -4.734 479 H THR 62 HN THR 62 13.077 11.735 -0.447 480 HA THR 62 HA THR 62 12.717 14.536 -0.354 481 HB THR 62 HB THR 62 14.900 13.096 1.142 482 HG1 THR 62 1HG THR 62 13.310 12.419 2.636 483 HG21 THR 62 3HG2 THR 62 14.246 14.649 2.931 484 HG22 THR 62 1HG2 THR 62 12.991 15.316 1.885 485 HG23 THR 62 2HG2 THR 62 14.692 15.511 1.457 486 H GLU 63 HN GLU 63 15.155 12.469 -1.696 487 HA GLU 63 HA GLU 63 17.018 14.679 -2.131 488 HB2 GLU 63 2HB GLU 63 17.271 11.718 -2.641 489 HB3 GLU 63 1HB GLU 63 18.536 12.885 -2.934 490 HG2 GLU 63 2HG GLU 63 18.772 13.329 -0.659 491 HG3 GLU 63 1HG GLU 63 17.282 12.494 -0.272 492 H ALA 64 HN ALA 64 14.349 13.748 -3.620 493 HA ALA 64 HA ALA 64 15.427 13.743 -6.348 494 HB1 ALA 64 1HB ALA 64 12.642 13.106 -5.373 495 HB2 ALA 64 2HB ALA 64 13.885 11.930 -5.799 496 HB3 ALA 64 3HB ALA 64 13.208 12.985 -7.038 497 H GLY 65 HN GLY 65 14.916 15.310 -7.822 498 HA2 GLY 65 2HA GLY 65 13.472 17.644 -6.745 499 HA3 GLY 65 1HA GLY 65 14.833 17.756 -7.851 500 H GLU 66 HN GLU 66 14.119 18.536 -9.697 501 HA GLU 66 HA GLU 66 11.423 18.365 -10.554 502 HB2 GLU 66 2HB GLU 66 13.917 19.215 -12.025 503 HB3 GLU 66 1HB GLU 66 12.281 19.419 -12.635 504 HG2 GLU 66 2HG GLU 66 11.743 20.900 -10.814 505 HG3 GLU 66 1HG GLU 66 13.326 20.623 -10.085 506 H GLY 67 HN GLY 67 10.696 17.529 -12.634 507 HA2 GLY 67 2HA GLY 67 10.750 16.051 -14.441 508 HA3 GLY 67 1HA GLY 67 12.272 15.406 -13.840 509 H SER 68 HN SER 68 10.481 13.630 -14.695 510 HA SER 68 HA SER 68 8.944 12.650 -12.449 511 HB2 SER 68 2HB SER 68 8.102 12.305 -14.729 512 HB3 SER 68 1HB SER 68 9.523 11.339 -15.110 513 HG SER 68 HG SER 68 8.198 9.793 -14.494 514 H HIS 69 HN HIS 69 9.481 11.048 -11.131 515 HA HIS 69 HA HIS 69 12.133 9.829 -11.479 516 HB2 HIS 69 2HB HIS 69 10.950 10.960 -8.937 517 HB3 HIS 69 1HB HIS 69 12.360 9.906 -8.966 518 HD1 HIS 69 1HD HIS 69 14.579 10.907 -9.840 519 HD2 HIS 69 2HD HIS 69 11.391 13.583 -9.830 520 HE1 HIS 69 1HE HIS 69 15.591 13.181 -10.239 521 HE2 HIS 69 2HE HIS 69 13.615 14.734 -10.468 522 H THR 70 HN THR 70 12.065 7.718 -11.542 523 HA THR 70 HA THR 70 9.763 6.348 -10.302 524 HB THR 70 HB THR 70 11.380 5.324 -12.639 525 HG1 THR 70 1HG THR 70 9.880 7.416 -12.722 526 HG21 THR 70 3HG2 THR 70 8.633 4.605 -11.606 527 HG22 THR 70 1HG2 THR 70 10.093 3.645 -11.386 528 HG23 THR 70 2HG2 THR 70 9.434 3.886 -13.004 529 H VAL 71 HN VAL 71 10.331 5.249 -8.558 530 HA VAL 71 HA VAL 71 12.940 3.901 -8.475 531 HB VAL 71 HB VAL 71 13.282 4.613 -6.133 532 HG11 VAL 71 1HG1 VAL 71 14.417 5.816 -7.923 533 HG12 VAL 71 2HG1 VAL 71 14.003 6.904 -6.597 534 HG13 VAL 71 3HG1 VAL 71 13.040 6.909 -8.076 535 HG21 VAL 71 3HG2 VAL 71 10.962 5.094 -5.555 536 HG22 VAL 71 1HG2 VAL 71 10.969 6.478 -6.648 537 HG23 VAL 71 2HG2 VAL 71 11.998 6.480 -5.217 538 H ASP 72 HN ASP 72 13.058 2.376 -6.564 539 HA ASP 72 HA ASP 72 10.826 0.632 -6.602 540 HB2 ASP 72 2HB ASP 72 13.276 0.702 -4.841 541 HB3 ASP 72 1HB ASP 72 12.052 -0.556 -4.728 542 H VAL 73 HN VAL 73 9.464 -0.000 -4.916 543 HA VAL 73 HA VAL 73 8.751 2.218 -3.142 544 HB VAL 73 HB VAL 73 7.127 -0.202 -3.959 545 HG11 VAL 73 1HG1 VAL 73 5.232 1.003 -2.975 546 HG12 VAL 73 2HG1 VAL 73 6.332 2.264 -2.415 547 HG13 VAL 73 3HG1 VAL 73 6.465 0.626 -1.772 548 HG21 VAL 73 3HG2 VAL 73 7.539 1.313 -5.825 549 HG22 VAL 73 1HG2 VAL 73 6.956 2.673 -4.863 550 HG23 VAL 73 2HG2 VAL 73 5.849 1.380 -5.325 551 H GLU 74 HN GLU 74 8.801 2.048 -0.965 552 HA GLU 74 HA GLU 74 9.773 -0.486 0.154 553 HB2 GLU 74 2HB GLU 74 10.017 2.369 1.071 554 HB3 GLU 74 1HB GLU 74 10.309 1.027 2.167 555 HG2 GLU 74 2HG GLU 74 11.773 1.510 -0.419 556 HG3 GLU 74 1HG GLU 74 12.375 1.904 1.192 557 H HIS 75 HN HIS 75 8.889 -1.271 2.128 558 HA HIS 75 HA HIS 75 6.243 -0.184 2.809 559 HB2 HIS 75 2HB HIS 75 5.436 -2.554 3.109 560 HB3 HIS 75 1HB HIS 75 5.717 -2.070 1.443 561 HD1 HIS 75 1HD HIS 75 6.994 -4.384 4.100 562 HD2 HIS 75 2HD HIS 75 7.774 -3.408 0.135 563 HE1 HIS 75 1HE HIS 75 8.497 -6.206 3.238 564 HE2 HIS 75 2HE HIS 75 9.089 -5.502 0.888 565 H ARG 76 HN ARG 76 5.583 -0.485 4.943 566 HA ARG 76 HA ARG 76 7.493 -1.688 6.802 567 HB2 ARG 76 2HB ARG 76 7.878 0.857 6.451 568 HB3 ARG 76 1HB ARG 76 6.385 1.056 7.354 569 HG2 ARG 76 2HG ARG 76 7.364 -0.079 9.266 570 HG3 ARG 76 1HG ARG 76 8.852 -0.353 8.356 571 HD2 ARG 76 2HD ARG 76 8.978 2.160 8.075 572 HD3 ARG 76 1HD ARG 76 7.692 2.265 9.275 573 HE ARG 76 HE ARG 76 9.569 0.745 10.515 574 HH11 ARG 76 1HH1 ARG 76 9.636 3.853 8.918 575 HH12 ARG 76 2HH1 ARG 76 10.922 4.488 9.899 576 HH21 ARG 76 1HH2 ARG 76 11.293 1.554 11.796 577 HH22 ARG 76 2HH2 ARG 76 11.907 3.158 11.498 578 H GLY 77 HN GLY 77 6.525 -2.276 8.814 579 HA2 GLY 77 2HA GLY 77 4.522 -2.271 10.236 580 HA3 GLY 77 1HA GLY 77 3.569 -2.200 8.757 581 H PHE 78 HN PHE 78 3.699 -4.067 7.289 582 HA PHE 78 HA PHE 78 4.019 -6.569 8.693 583 HB2 PHE 78 2HB PHE 78 3.371 -7.589 6.494 584 HB3 PHE 78 1HB PHE 78 2.190 -6.453 7.129 585 HD1 PHE 78 1HD PHE 78 1.822 -4.305 6.047 586 HD2 PHE 78 2HD PHE 78 4.601 -7.117 4.477 587 HE1 PHE 78 1HE PHE 78 1.853 -3.079 3.913 588 HE2 PHE 78 2HE PHE 78 4.640 -5.892 2.345 589 HZ PHE 78 HZ PHE 78 3.266 -3.873 2.059 590 HA PRO 79 HA PRO 79 8.214 -7.037 7.482 591 HB2 PRO 79 2HB PRO 79 8.635 -9.544 8.294 592 HB3 PRO 79 1HB PRO 79 8.255 -8.260 9.450 593 HG2 PRO 79 2HG PRO 79 6.492 -10.408 8.351 594 HG3 PRO 79 1HG PRO 79 6.557 -9.737 9.988 595 HD2 PRO 79 2HD PRO 79 4.715 -9.023 8.021 596 HD3 PRO 79 1HD PRO 79 5.091 -8.079 9.476 597 H GLY 80 HN GLY 80 9.648 -8.121 6.037 598 HA2 GLY 80 2HA GLY 80 8.368 -9.320 3.730 599 HA3 GLY 80 1HA GLY 80 10.082 -8.972 3.916 600 H ASP 81 HN ASP 81 8.059 -10.815 6.106 601 HA ASP 81 HA ASP 81 9.889 -13.049 6.028 602 HB2 ASP 81 2HB ASP 81 8.750 -12.168 8.133 603 HB3 ASP 81 1HB ASP 81 7.269 -12.871 7.505 604 H LEU 82 HN LEU 82 6.582 -12.315 5.182 605 HA LEU 82 HA LEU 82 6.131 -14.950 4.039 606 HB2 LEU 82 2HB LEU 82 4.295 -12.554 4.040 607 HB3 LEU 82 1HB LEU 82 3.856 -14.225 3.754 608 HG LEU 82 HG LEU 82 4.830 -13.117 6.386 609 HD11 LEU 82 1HD1 LEU 82 2.608 -12.289 5.759 610 HD12 LEU 82 2HD1 LEU 82 2.549 -13.378 7.143 611 HD13 LEU 82 3HD1 LEU 82 2.060 -13.953 5.550 612 HD21 LEU 82 3HD2 LEU 82 3.766 -15.839 5.647 613 HD22 LEU 82 1HD2 LEU 82 4.119 -15.286 7.284 614 HD23 LEU 82 2HD2 LEU 82 5.424 -15.452 6.109 615 H ALA 83 HN ALA 83 4.907 -14.815 1.811 616 HA ALA 83 HA ALA 83 6.636 -13.344 -0.001 617 HB1 ALA 83 1HB ALA 83 5.504 -14.584 -1.768 618 HB2 ALA 83 2HB ALA 83 4.359 -15.231 -0.594 619 HB3 ALA 83 3HB ALA 83 6.063 -15.675 -0.500 620 H VAL 84 HN VAL 84 6.141 -11.247 -0.075 621 HA VAL 84 HA VAL 84 3.314 -10.457 -0.102 622 HB VAL 84 HB VAL 84 5.762 -8.719 0.282 623 HG11 VAL 84 1HG1 VAL 84 4.145 -7.042 1.072 624 HG12 VAL 84 2HG1 VAL 84 2.827 -8.127 0.634 625 HG13 VAL 84 3HG1 VAL 84 3.886 -7.478 -0.618 626 HG21 VAL 84 3HG2 VAL 84 5.477 -10.315 2.121 627 HG22 VAL 84 1HG2 VAL 84 3.814 -9.766 2.337 628 HG23 VAL 84 2HG2 VAL 84 5.154 -8.659 2.642 629 H THR 85 HN THR 85 2.390 -9.863 -1.957 630 HA THR 85 HA THR 85 4.169 -9.212 -4.202 631 HB THR 85 HB THR 85 1.282 -9.949 -4.501 632 HG1 THR 85 1HG THR 85 2.000 -11.766 -3.514 633 HG21 THR 85 3HG2 THR 85 3.676 -10.269 -6.312 634 HG22 THR 85 1HG2 THR 85 2.458 -8.999 -6.430 635 HG23 THR 85 2HG2 THR 85 2.010 -10.682 -6.714 636 H VAL 86 HN VAL 86 4.170 -7.267 -4.906 637 HA VAL 86 HA VAL 86 1.903 -5.433 -4.426 638 HB VAL 86 HB VAL 86 4.308 -4.079 -5.308 639 HG11 VAL 86 1HG1 VAL 86 2.773 -3.931 -2.707 640 HG12 VAL 86 2HG1 VAL 86 2.455 -3.001 -4.171 641 HG13 VAL 86 3HG1 VAL 86 3.953 -2.751 -3.276 642 HG21 VAL 86 3HG2 VAL 86 4.685 -5.775 -2.837 643 HG22 VAL 86 1HG2 VAL 86 5.703 -4.404 -3.285 644 HG23 VAL 86 2HG2 VAL 86 5.618 -5.813 -4.338 645 H GLU 87 HN GLU 87 1.285 -4.149 -6.458 646 HA GLU 87 HA GLU 87 3.633 -4.216 -8.174 647 HB2 GLU 87 2HB GLU 87 1.920 -5.820 -9.075 648 HB3 GLU 87 1HB GLU 87 0.909 -4.416 -9.397 649 HG2 GLU 87 2HG GLU 87 2.544 -3.502 -10.894 650 HG3 GLU 87 1HG GLU 87 3.684 -4.785 -10.493 651 HA PRO 88 HA PRO 88 4.018 -1.133 -9.832 652 HB2 PRO 88 2HB PRO 88 5.197 0.779 -8.336 653 HB3 PRO 88 1HB PRO 88 3.490 0.849 -8.750 654 HG2 PRO 88 2HG PRO 88 4.698 0.424 -6.146 655 HG3 PRO 88 1HG PRO 88 2.987 0.667 -6.535 656 HD2 PRO 88 2HD PRO 88 4.486 -1.869 -6.134 657 HD3 PRO 88 1HD PRO 88 2.742 -1.551 -5.967 658 H ARG 89 HN ARG 89 6.038 -1.819 -10.509 659 HA ARG 89 HA ARG 89 7.613 -3.258 -8.539 660 HB2 ARG 89 2HB ARG 89 8.218 -2.644 -11.453 661 HB3 ARG 89 1HB ARG 89 9.232 -3.637 -10.415 662 HG2 ARG 89 2HG ARG 89 7.099 -5.022 -10.043 663 HG3 ARG 89 1HG ARG 89 6.514 -4.211 -11.496 664 HD2 ARG 89 2HD ARG 89 8.552 -4.939 -12.671 665 HD3 ARG 89 1HD ARG 89 9.029 -5.838 -11.238 666 HE ARG 89 HE ARG 89 6.423 -6.493 -12.361 667 HH11 ARG 89 1HH1 ARG 89 9.825 -7.314 -12.066 668 HH12 ARG 89 2HH1 ARG 89 9.610 -8.940 -12.657 669 HH21 ARG 89 1HH2 ARG 89 6.137 -8.627 -13.099 670 HH22 ARG 89 2HH2 ARG 89 7.508 -9.685 -13.238 671 H MET 90 HN MET 90 7.764 -0.381 -10.461 672 HA MET 90 HA MET 90 9.188 0.931 -8.278 673 HB2 MET 90 2HB MET 90 9.760 1.262 -11.235 674 HB3 MET 90 1HB MET 90 10.275 2.424 -10.020 675 HG2 MET 90 2HG MET 90 11.591 0.663 -8.922 676 HG3 MET 90 1HG MET 90 11.104 -0.465 -10.188 677 HE1 MET 90 3HE MET 90 14.911 0.248 -10.888 678 HE2 MET 90 1HE MET 90 13.708 -0.994 -10.551 679 HE3 MET 90 2HE MET 90 14.119 0.191 -9.312 680 H ALA 91 HN ALA 91 8.588 3.244 -8.179 681 HA ALA 91 HA ALA 91 5.920 3.640 -9.383 682 HB1 ALA 91 1HB ALA 91 5.775 3.231 -6.978 683 HB2 ALA 91 2HB ALA 91 5.296 4.882 -7.373 684 HB3 ALA 91 3HB ALA 91 6.886 4.566 -6.678 685 H ARG 92 HN ARG 92 5.398 5.678 -10.130 686 HA ARG 92 HA ARG 92 7.748 7.375 -10.559 687 HB2 ARG 92 2HB ARG 92 6.856 8.035 -12.647 688 HB3 ARG 92 1HB ARG 92 6.647 6.295 -12.566 689 HG2 ARG 92 2HG ARG 92 4.292 6.610 -11.978 690 HG3 ARG 92 1HG ARG 92 4.510 8.359 -12.063 691 HD2 ARG 92 2HD ARG 92 5.375 7.863 -14.463 692 HD3 ARG 92 1HD ARG 92 4.517 6.336 -14.268 693 HE ARG 92 HE ARG 92 3.116 8.894 -13.838 694 HH11 ARG 92 1HH1 ARG 92 3.458 5.875 -15.603 695 HH12 ARG 92 2HH1 ARG 92 1.995 6.112 -16.521 696 HH21 ARG 92 1HH2 ARG 92 1.201 9.183 -14.998 697 HH22 ARG 92 2HH2 ARG 92 0.689 7.981 -16.153 698 H VAL 93 HN VAL 93 7.795 9.259 -9.641 699 HA VAL 93 HA VAL 93 5.296 10.750 -9.240 700 HB VAL 93 HB VAL 93 7.546 10.574 -7.215 701 HG11 VAL 93 1HG1 VAL 93 4.981 12.159 -7.130 702 HG12 VAL 93 2HG1 VAL 93 6.603 12.819 -7.326 703 HG13 VAL 93 3HG1 VAL 93 6.152 12.025 -5.819 704 HG21 VAL 93 3HG2 VAL 93 5.866 9.583 -5.731 705 HG22 VAL 93 1HG2 VAL 93 6.120 8.600 -7.175 706 HG23 VAL 93 2HG2 VAL 93 4.690 9.624 -7.046 707 H GLN 94 HN GLN 94 5.437 12.690 -10.201 708 HA GLN 94 HA GLN 94 8.143 13.637 -10.853 709 HB2 GLN 94 2HB GLN 94 7.101 14.942 -12.688 710 HB3 GLN 94 1HB GLN 94 6.941 13.204 -12.873 711 HG2 GLN 94 2HG GLN 94 4.638 13.297 -12.181 712 HG3 GLN 94 1HG GLN 94 4.776 15.018 -11.836 713 HE21 GLN 94 1HE2 GLN 94 2.994 13.639 -13.658 714 HE22 GLN 94 2HE2 GLN 94 3.280 14.334 -15.207 715 H LEU 95 HN LEU 95 8.852 15.473 -10.097 716 HA LEU 95 HA LEU 95 6.975 17.173 -8.584 717 HB2 LEU 95 2HB LEU 95 9.929 16.748 -8.096 718 HB3 LEU 95 1HB LEU 95 8.859 17.762 -7.143 719 HG LEU 95 HG LEU 95 8.646 14.756 -7.383 720 HD11 LEU 95 1HD1 LEU 95 9.427 14.738 -5.059 721 HD12 LEU 95 2HD1 LEU 95 9.669 16.483 -5.132 722 HD13 LEU 95 3HD1 LEU 95 10.635 15.416 -6.150 723 HD21 LEU 95 3HD2 LEU 95 7.026 14.947 -5.563 724 HD22 LEU 95 1HD2 LEU 95 6.484 15.830 -6.991 725 HD23 LEU 95 2HD2 LEU 95 7.162 16.704 -5.616 726 H GLU 96 HN GLU 96 6.992 19.330 -8.973 727 HA GLU 96 HA GLU 96 9.117 20.402 -10.689 728 HB2 GLU 96 2HB GLU 96 6.155 20.915 -11.004 729 HB3 GLU 96 1HB GLU 96 7.404 21.870 -11.788 730 HG2 GLU 96 2HG GLU 96 8.213 19.654 -12.776 731 HG3 GLU 96 1HG GLU 96 6.653 19.013 -12.266 732 H GLU 97 HN GLU 97 9.748 22.472 -10.268 733 HA GLU 97 HA GLU 97 9.431 23.465 -7.648 734 HB2 GLU 97 2HB GLU 97 11.092 23.978 -9.827 735 HB3 GLU 97 1HB GLU 97 10.196 25.475 -9.623 736 HG2 GLU 97 2HG GLU 97 11.609 24.124 -7.348 737 HG3 GLU 97 1HG GLU 97 12.408 25.279 -8.411 738 H ARG 98 HN ARG 98 8.040 24.972 -6.812 739 HA ARG 98 HA ARG 98 5.572 25.210 -8.191 740 HB2 ARG 98 2HB ARG 98 4.895 26.511 -6.182 741 HB3 ARG 98 1HB ARG 98 5.474 24.899 -5.842 742 HG2 ARG 98 2HG ARG 98 7.566 25.766 -5.063 743 HG3 ARG 98 1HG ARG 98 7.116 27.401 -5.555 744 HD2 ARG 98 2HD ARG 98 6.853 26.830 -3.084 745 HD3 ARG 98 1HD ARG 98 5.468 27.566 -3.888 746 HE ARG 98 HE ARG 98 5.290 24.735 -4.003 747 HH11 ARG 98 1HH1 ARG 98 4.878 27.418 -1.771 748 HH12 ARG 98 2HH1 ARG 98 3.689 26.587 -0.808 749 HH21 ARG 98 1HH2 ARG 98 3.745 23.665 -2.771 750 HH22 ARG 98 2HH2 ARG 98 3.051 24.434 -1.367 751 H GLN 99 HN GLN 99 4.488 27.543 -7.798 752 HA GLN 99 HA GLN 99 5.415 28.974 -9.996 753 HB2 GLN 99 2HB GLN 99 3.083 28.959 -9.029 754 HB3 GLN 99 1HB GLN 99 3.663 30.090 -7.814 755 HG2 GLN 99 2HG GLN 99 4.144 31.736 -9.486 756 HG3 GLN 99 1HG GLN 99 3.778 30.591 -10.778 757 HE21 GLN 99 1HE2 GLN 99 2.168 31.881 -11.648 758 HE22 GLN 99 2HE2 GLN 99 0.638 32.097 -10.869 759 H THR 100 HN THR 100 5.675 29.771 -6.544 760 HA THR 100 HA THR 100 8.311 30.757 -6.947 761 HB THR 100 HB THR 100 7.200 32.732 -7.774 762 HG1 THR 100 1HG THR 100 9.074 32.975 -6.411 763 HG21 THR 100 3HG2 THR 100 5.741 32.798 -5.129 764 HG22 THR 100 1HG2 THR 100 5.024 32.528 -6.718 765 HG23 THR 100 2HG2 THR 100 5.733 34.095 -6.324 766 H VAL 101 HN VAL 101 9.173 29.685 -5.314 767 HA VAL 101 HA VAL 101 8.035 29.314 -2.768 768 HB VAL 101 HB VAL 101 10.462 28.917 -2.038 769 HG11 VAL 101 1HG1 VAL 101 9.318 27.337 -4.336 770 HG12 VAL 101 2HG1 VAL 101 8.962 27.104 -2.624 771 HG13 VAL 101 3HG1 VAL 101 10.581 26.775 -3.241 772 HG21 VAL 101 3HG2 VAL 101 11.540 30.281 -3.759 773 HG22 VAL 101 1HG2 VAL 101 10.923 29.201 -5.005 774 HG23 VAL 101 2HG2 VAL 101 12.095 28.609 -3.828 775 H SER 102 HN SER 102 7.296 31.079 -1.761 776 HA SER 102 HA SER 102 9.143 33.336 -1.390 777 HB2 SER 102 2HB SER 102 6.810 34.498 -0.886 778 HB3 SER 102 1HB SER 102 7.408 34.307 -2.535 779 HG SER 102 HG SER 102 6.113 32.452 -2.736 780 H VAL 103 HN VAL 103 8.545 30.788 0.210 781 HA VAL 103 HA VAL 103 8.002 32.117 2.773 782 HB VAL 103 HB VAL 103 6.328 30.451 2.365 783 HG11 VAL 103 1HG1 VAL 103 8.562 28.469 1.964 784 HG12 VAL 103 2HG1 VAL 103 7.491 29.098 0.711 785 HG13 VAL 103 3HG1 VAL 103 6.838 28.089 2.002 786 HG21 VAL 103 3HG2 VAL 103 8.346 29.427 4.354 787 HG22 VAL 103 1HG2 VAL 103 6.644 28.963 4.291 788 HG23 VAL 103 2HG2 VAL 103 7.091 30.630 4.658 789 HA PRO 104 HA PRO 104 12.396 31.344 3.442 790 HB2 PRO 104 2HB PRO 104 11.771 32.630 6.027 791 HB3 PRO 104 1HB PRO 104 12.960 33.087 4.804 792 HG2 PRO 104 2HG PRO 104 10.732 34.526 5.183 793 HG3 PRO 104 1HG PRO 104 11.429 34.297 3.569 794 HD2 PRO 104 2HD PRO 104 9.081 32.928 4.827 795 HD3 PRO 104 1HD PRO 104 9.284 33.527 3.167 796 H VAL 105 HN VAL 105 13.270 29.553 4.317 797 HA VAL 105 HA VAL 105 11.607 28.044 6.204 798 HB VAL 105 HB VAL 105 14.015 27.061 4.663 799 HG11 VAL 105 1HG1 VAL 105 13.517 25.740 6.633 800 HG12 VAL 105 2HG1 VAL 105 13.107 24.839 5.173 801 HG13 VAL 105 3HG1 VAL 105 11.834 25.591 6.132 802 HG21 VAL 105 3HG2 VAL 105 12.267 27.769 3.112 803 HG22 VAL 105 1HG2 VAL 105 11.085 26.795 3.986 804 HG23 VAL 105 2HG2 VAL 105 12.413 26.010 3.131 805 H THR 106 HN THR 106 12.080 28.658 8.239 806 HA THR 106 HA THR 106 14.856 28.934 9.078 807 HB THR 106 HB THR 106 12.359 29.143 10.772 808 HG1 THR 106 1HG THR 106 13.720 31.024 9.142 809 HG21 THR 106 3HG2 THR 106 14.402 28.770 12.048 810 HG22 THR 106 1HG2 THR 106 13.822 30.418 12.286 811 HG23 THR 106 2HG2 THR 106 15.187 30.111 11.210 812 H VAL 107 HN VAL 107 15.901 27.080 9.420 813 HA VAL 107 HA VAL 107 14.413 24.764 10.437 814 HB VAL 107 HB VAL 107 17.226 24.805 9.330 815 HG11 VAL 107 1HG1 VAL 107 15.274 22.544 9.773 816 HG12 VAL 107 2HG1 VAL 107 16.729 22.868 10.716 817 HG13 VAL 107 3HG1 VAL 107 16.864 22.394 9.023 818 HG21 VAL 107 3HG2 VAL 107 14.654 24.169 7.891 819 HG22 VAL 107 1HG2 VAL 107 16.278 23.982 7.233 820 HG23 VAL 107 2HG2 VAL 107 15.666 25.588 7.623 821 H GLU 108 HN GLU 108 15.008 23.706 12.321 822 HA GLU 108 HA GLU 108 16.619 25.204 14.195 823 HB2 GLU 108 2HB GLU 108 15.046 22.645 14.424 824 HB3 GLU 108 1HB GLU 108 16.017 23.286 15.740 825 HG2 GLU 108 2HG GLU 108 14.664 25.381 15.609 826 HG3 GLU 108 1HG GLU 108 13.614 24.553 14.457 827 H MET 109 HN MET 109 18.004 24.132 11.925 828 HA MET 109 HA MET 109 19.526 21.856 12.795 829 HB2 MET 109 2HB MET 109 19.128 22.368 10.386 830 HB3 MET 109 1HB MET 109 20.114 23.811 10.559 831 HG2 MET 109 2HG MET 109 22.059 22.475 11.046 832 HG3 MET 109 1HG MET 109 21.091 21.002 11.016 833 HE1 MET 109 3HE MET 109 23.785 21.424 9.320 834 HE2 MET 109 1HE MET 109 23.302 20.682 7.793 835 HE3 MET 109 2HE MET 109 22.833 19.938 9.324 836 H ILE 110 HN ILE 110 21.468 21.855 13.820 837 HA ILE 110 HA ILE 110 22.075 24.252 15.280 838 HB ILE 110 HB ILE 110 23.576 21.630 15.338 839 HG12 ILE 110 2HG1 ILE 110 21.287 22.565 17.085 840 HG13 ILE 110 1HG1 ILE 110 21.148 21.363 15.811 841 HG21 ILE 110 1HG2 ILE 110 24.243 22.381 17.588 842 HG22 ILE 110 2HG2 ILE 110 23.409 23.911 17.311 843 HG23 ILE 110 3HG2 ILE 110 24.807 23.476 16.325 844 HD11 ILE 110 3HD1 ILE 110 21.276 20.322 17.996 845 HD12 ILE 110 1HD1 ILE 110 22.830 21.101 18.286 846 HD13 ILE 110 2HD1 ILE 110 22.676 19.895 17.009 847 H ASN 111 HN ASN 111 22.624 25.494 13.357 848 HA ASN 111 HA ASN 111 25.502 25.235 12.757 849 HB2 ASN 111 2HB ASN 111 23.291 26.374 11.030 850 HB3 ASN 111 1HB ASN 111 25.004 26.560 10.675 851 HD21 ASN 111 1HD2 ASN 111 25.637 23.839 11.630 852 HD22 ASN 111 2HD2 ASN 111 25.083 22.780 10.380 853 H LEU 112 HN LEU 112 23.444 26.760 14.644 854 HA LEU 112 HA LEU 112 24.976 29.232 14.711 855 HB2 LEU 112 2HB LEU 112 22.898 29.461 13.214 856 HB3 LEU 112 1HB LEU 112 21.960 29.298 14.682 857 HG LEU 112 HG LEU 112 24.031 31.462 14.396 858 HD11 LEU 112 1HD1 LEU 112 22.250 32.950 13.637 859 HD12 LEU 112 2HD1 LEU 112 21.135 31.586 13.564 860 HD13 LEU 112 3HD1 LEU 112 22.528 31.645 12.484 861 HD21 LEU 112 3HD2 LEU 112 22.593 32.604 16.026 862 HD22 LEU 112 1HD2 LEU 112 23.173 31.054 16.637 863 HD23 LEU 112 2HD2 LEU 112 21.518 31.205 16.048 864 H GLU 113 HN GLU 113 25.720 29.149 16.735 865 HA GLU 113 HA GLU 113 24.313 27.780 18.827 866 HB2 GLU 113 2HB GLU 113 26.786 27.772 18.634 867 HB3 GLU 113 1HB GLU 113 26.803 29.495 18.974 868 HG2 GLU 113 2HG GLU 113 27.388 28.136 20.927 869 HG3 GLU 113 1HG GLU 113 25.941 29.108 21.190 870 H HIS 114 HN HIS 114 23.888 28.797 20.937 871 HA HIS 114 HA HIS 114 22.838 30.300 22.270 872 HB2 HIS 114 2HB HIS 114 23.836 32.223 20.189 873 HB3 HIS 114 1HB HIS 114 22.711 32.758 21.432 874 HD1 HIS 114 1HD HIS 114 26.261 32.170 20.801 875 HD2 HIS 114 2HD HIS 114 23.766 32.437 24.123 876 HE1 HIS 114 1HE HIS 114 27.783 32.534 22.774 877 HE2 HIS 114 2HE HIS 114 26.238 32.878 24.740 878 H HIS 115 HN HIS 115 21.633 28.768 20.075 879 HA HIS 115 HA HIS 115 19.325 30.285 19.251 880 HB2 HIS 115 2HB HIS 115 20.275 28.330 17.956 881 HB3 HIS 115 1HB HIS 115 19.665 27.273 19.225 882 HD1 HIS 115 1HD HIS 115 17.407 26.330 18.756 883 HD2 HIS 115 2HD HIS 115 18.038 29.940 16.785 884 HE1 HIS 115 1HE HIS 115 15.350 26.714 17.362 885 HE2 HIS 115 2HE HIS 115 15.679 28.986 16.324 886 H HIS 116 HN HIS 116 20.290 28.309 21.917 887 HA HIS 116 HA HIS 116 17.672 27.883 22.994 888 HB2 HIS 116 2HB HIS 116 20.439 27.645 24.171 889 HB3 HIS 116 1HB HIS 116 18.986 27.355 25.121 890 HD1 HIS 116 1HD HIS 116 21.424 25.404 23.742 891 HD2 HIS 116 2HD HIS 116 17.295 25.440 23.211 892 HE1 HIS 116 1HE HIS 116 20.821 23.103 22.910 893 HE2 HIS 116 2HE HIS 116 18.304 23.110 22.708 894 H HIS 117 HN HIS 117 16.524 29.078 24.367 895 HA HIS 117 HA HIS 117 17.679 31.441 25.621 896 HB2 HIS 117 2HB HIS 117 16.899 32.178 23.371 897 HB3 HIS 117 1HB HIS 117 15.286 31.607 23.771 898 HD1 HIS 117 1HD HIS 117 13.762 33.275 24.832 899 HD2 HIS 117 2HD HIS 117 17.762 34.390 25.094 900 HE1 HIS 117 1HE HIS 117 13.757 35.600 25.773 901 HE2 HIS 117 2HE HIS 117 16.161 36.339 25.664 902 H HIS 118 HN HIS 118 14.600 29.849 24.879 903 HA HIS 118 HA HIS 118 14.109 29.053 27.562 904 HB2 HIS 118 2HB HIS 118 13.484 31.687 27.191 905 HB3 HIS 118 1HB HIS 118 11.972 30.927 26.713 906 HD1 HIS 118 1HD HIS 118 13.707 32.175 29.605 907 HD2 HIS 118 2HD HIS 118 10.975 29.120 28.882 908 HE1 HIS 118 1HE HIS 118 12.697 31.621 31.839 909 HE2 HIS 118 2HE HIS 118 10.917 29.905 31.346 910 H HIS 119 HN HIS 119 11.485 28.440 27.518 911 HA HIS 119 HA HIS 119 11.017 27.297 24.851 912 HB2 HIS 119 2HB HIS 119 10.575 26.035 27.550 913 HB3 HIS 119 1HB HIS 119 9.793 25.435 26.090 914 HD1 HIS 119 1HD HIS 119 11.572 24.774 24.099 915 HD2 HIS 119 2HD HIS 119 13.016 24.961 27.998 916 HE1 HIS 119 1HE HIS 119 13.726 23.473 24.092 917 HE2 HIS 119 2HE HIS 119 14.441 23.404 26.509 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -6.212 -31.030 9.000 2 H2 MET 1 H2 MET 1 -4.649 -30.779 9.610 3 H3 MET 1 H3 MET 1 -4.981 -32.157 8.680 4 HA MET 1 HA MET 1 -5.458 -30.735 6.765 5 HB2 MET 1 2HB MET 1 -4.484 -28.590 8.662 6 HB3 MET 1 1HB MET 1 -4.611 -28.372 6.924 7 HG2 MET 1 2HG MET 1 -7.017 -28.776 7.054 8 HG3 MET 1 1HG MET 1 -6.880 -28.972 8.801 9 HE1 MET 1 2HE MET 1 -8.846 -26.897 7.247 10 HE2 MET 1 3HE MET 1 -8.712 -25.510 8.328 11 HE3 MET 1 1HE MET 1 -8.834 -27.139 8.993 12 HA PRO 2 HA PRO 2 -1.153 -31.539 5.903 13 HB2 PRO 2 2HB PRO 2 -1.357 -30.032 3.429 14 HB3 PRO 2 1HB PRO 2 -1.236 -31.777 3.648 15 HG2 PRO 2 2HG PRO 2 -3.481 -30.540 2.728 16 HG3 PRO 2 1HG PRO 2 -3.509 -32.069 3.627 17 HD2 PRO 2 2HD PRO 2 -4.061 -29.286 4.593 18 HD3 PRO 2 1HD PRO 2 -4.901 -30.803 4.984 19 H THR 3 HN THR 3 0.808 -30.253 5.009 20 HA THR 3 HA THR 3 0.906 -27.711 6.411 21 HB THR 3 HB THR 3 3.148 -29.056 4.957 22 HG1 THR 3 1HG THR 3 2.890 -30.594 6.409 23 HG21 THR 3 3HG2 THR 3 3.126 -27.152 7.300 24 HG22 THR 3 1HG2 THR 3 3.591 -26.752 5.646 25 HG23 THR 3 2HG2 THR 3 4.565 -27.881 6.588 26 H PHE 4 HN PHE 4 -0.292 -28.489 3.742 27 HA PHE 4 HA PHE 4 0.909 -26.566 1.943 28 HB2 PHE 4 2HB PHE 4 -1.028 -28.795 1.694 29 HB3 PHE 4 1HB PHE 4 -1.080 -27.528 0.487 30 HD1 PHE 4 1HD PHE 4 0.944 -30.218 1.939 31 HD2 PHE 4 2HD PHE 4 0.660 -27.281 -1.130 32 HE1 PHE 4 1HE PHE 4 2.824 -31.275 0.757 33 HE2 PHE 4 2HE PHE 4 2.538 -28.336 -2.318 34 HZ PHE 4 HZ PHE 4 3.623 -30.332 -1.374 35 H ASP 5 HN ASP 5 -1.360 -25.813 0.519 36 HA ASP 5 HA ASP 5 -2.937 -24.225 0.381 37 HB2 ASP 5 2HB ASP 5 -4.198 -25.736 1.903 38 HB3 ASP 5 1HB ASP 5 -3.533 -24.866 3.274 39 H HIS 6 HN HIS 6 -0.508 -23.293 0.578 40 HA HIS 6 HA HIS 6 -0.022 -21.327 2.495 41 HB2 HIS 6 2HB HIS 6 1.190 -20.109 0.605 42 HB3 HIS 6 1HB HIS 6 1.738 -21.744 0.951 43 HD1 HIS 6 1HD HIS 6 0.463 -19.611 -1.771 44 HD2 HIS 6 2HD HIS 6 0.872 -23.688 -1.023 45 HE1 HIS 6 1HE HIS 6 0.229 -20.742 -4.001 46 HE2 HIS 6 2HE HIS 6 0.672 -23.180 -3.551 47 H GLY 7 HN GLY 7 -1.269 -19.724 3.101 48 HA2 GLY 7 2HA GLY 7 -3.709 -19.220 1.744 49 HA3 GLY 7 1HA GLY 7 -3.137 -18.412 3.198 50 H ASN 8 HN ASN 8 -4.483 -17.284 0.961 51 HA ASN 8 HA ASN 8 -2.433 -15.344 0.083 52 HB2 ASN 8 2HB ASN 8 -5.019 -16.135 -1.274 53 HB3 ASN 8 1HB ASN 8 -4.056 -14.757 -1.753 54 HD21 ASN 8 1HD2 ASN 8 -2.547 -17.724 -0.725 55 HD22 ASN 8 2HD2 ASN 8 -1.957 -18.179 -2.285 56 H LEU 9 HN LEU 9 -3.115 -13.155 0.067 57 HA LEU 9 HA LEU 9 -5.606 -12.502 1.430 58 HB2 LEU 9 2HB LEU 9 -3.919 -12.784 3.221 59 HB3 LEU 9 1HB LEU 9 -2.928 -11.559 2.454 60 HG LEU 9 HG LEU 9 -4.691 -9.883 2.855 61 HD11 LEU 9 1HD1 LEU 9 -6.088 -12.129 4.304 62 HD12 LEU 9 2HD1 LEU 9 -6.630 -11.349 2.818 63 HD13 LEU 9 3HD1 LEU 9 -6.570 -10.434 4.325 64 HD21 LEU 9 3HD2 LEU 9 -4.429 -9.750 5.287 65 HD22 LEU 9 1HD2 LEU 9 -2.909 -10.152 4.487 66 HD23 LEU 9 2HD2 LEU 9 -3.833 -11.410 5.310 67 H SER 10 HN SER 10 -6.527 -10.885 0.432 68 HA SER 10 HA SER 10 -4.971 -9.300 -1.450 69 HB2 SER 10 2HB SER 10 -7.974 -9.411 -1.074 70 HB3 SER 10 1HB SER 10 -7.102 -8.710 -2.437 71 HG SER 10 HG SER 10 -6.297 -10.825 -2.892 72 H LEU 11 HN LEU 11 -4.032 -7.584 -0.495 73 HA LEU 11 HA LEU 11 -5.371 -6.037 1.539 74 HB2 LEU 11 2HB LEU 11 -2.863 -5.505 -0.058 75 HB3 LEU 11 1HB LEU 11 -3.431 -4.492 1.253 76 HG LEU 11 HG LEU 11 -2.602 -7.385 1.547 77 HD11 LEU 11 1HD1 LEU 11 -1.152 -4.837 2.253 78 HD12 LEU 11 2HD1 LEU 11 -0.687 -5.993 1.009 79 HD13 LEU 11 3HD1 LEU 11 -0.638 -6.461 2.709 80 HD21 LEU 11 3HD2 LEU 11 -2.708 -6.930 3.939 81 HD22 LEU 11 1HD2 LEU 11 -4.279 -6.665 3.181 82 HD23 LEU 11 2HD2 LEU 11 -3.263 -5.289 3.613 83 H GLY 12 HN GLY 12 -4.938 -5.985 -1.898 84 HA2 GLY 12 2HA GLY 12 -6.162 -4.812 -3.488 85 HA3 GLY 12 1HA GLY 12 -6.927 -3.901 -2.186 86 H GLU 13 HN GLU 13 -6.602 -1.928 -3.250 87 HA GLU 13 HA GLU 13 -3.868 -1.113 -3.760 88 HB2 GLU 13 2HB GLU 13 -6.472 0.389 -4.010 89 HB3 GLU 13 1HB GLU 13 -4.895 1.044 -4.437 90 HG2 GLU 13 2HG GLU 13 -4.635 -0.799 -6.069 91 HG3 GLU 13 1HG GLU 13 -6.292 -1.290 -5.712 92 H LEU 14 HN LEU 14 -2.637 -0.467 -2.169 93 HA LEU 14 HA LEU 14 -3.824 0.867 0.150 94 HB2 LEU 14 2HB LEU 14 -1.013 -0.133 -0.331 95 HB3 LEU 14 1HB LEU 14 -1.563 0.632 1.147 96 HG LEU 14 HG LEU 14 -2.602 -1.980 0.047 97 HD11 LEU 14 1HD1 LEU 14 -0.305 -2.153 0.870 98 HD12 LEU 14 2HD1 LEU 14 -1.436 -3.008 1.919 99 HD13 LEU 14 3HD1 LEU 14 -0.801 -1.436 2.402 100 HD21 LEU 14 3HD2 LEU 14 -3.734 -2.168 2.219 101 HD22 LEU 14 1HD2 LEU 14 -4.308 -0.783 1.292 102 HD23 LEU 14 2HD2 LEU 14 -3.189 -0.543 2.632 103 H GLU 15 HN GLU 15 -3.120 2.916 0.833 104 HA GLU 15 HA GLU 15 -2.685 4.690 -1.367 105 HB2 GLU 15 2HB GLU 15 -2.769 5.289 1.599 106 HB3 GLU 15 1HB GLU 15 -2.845 6.481 0.306 107 HG2 GLU 15 2HG GLU 15 -4.926 5.431 -0.492 108 HG3 GLU 15 1HG GLU 15 -4.863 4.328 0.880 109 H LEU 16 HN LEU 16 -0.861 5.427 -2.144 110 HA LEU 16 HA LEU 16 1.645 4.738 -0.849 111 HB2 LEU 16 2HB LEU 16 1.131 4.460 -3.332 112 HB3 LEU 16 1HB LEU 16 1.238 6.201 -3.459 113 HG LEU 16 HG LEU 16 3.283 4.972 -4.194 114 HD11 LEU 16 1HD1 LEU 16 4.882 6.428 -3.088 115 HD12 LEU 16 2HD1 LEU 16 3.682 6.825 -1.859 116 HD13 LEU 16 3HD1 LEU 16 3.422 7.310 -3.535 117 HD21 LEU 16 3HD2 LEU 16 3.267 3.181 -2.573 118 HD22 LEU 16 1HD2 LEU 16 3.532 4.333 -1.265 119 HD23 LEU 16 2HD2 LEU 16 4.784 4.079 -2.482 120 H THR 17 HN THR 17 2.406 6.055 0.643 121 HA THR 17 HA THR 17 1.824 8.919 0.517 122 HB THR 17 HB THR 17 3.246 7.359 2.690 123 HG1 THR 17 1HG THR 17 0.846 6.984 2.103 124 HG21 THR 17 3HG2 THR 17 2.709 9.304 4.088 125 HG22 THR 17 1HG2 THR 17 2.017 10.117 2.684 126 HG23 THR 17 2HG2 THR 17 3.741 9.750 2.729 127 H VAL 18 HN VAL 18 3.278 10.389 -0.130 128 HA VAL 18 HA VAL 18 6.006 9.454 -0.693 129 HB VAL 18 HB VAL 18 4.537 11.829 -1.850 130 HG11 VAL 18 1HG1 VAL 18 6.435 11.974 -3.405 131 HG12 VAL 18 2HG1 VAL 18 7.255 10.703 -2.497 132 HG13 VAL 18 3HG1 VAL 18 6.908 12.252 -1.730 133 HG21 VAL 18 3HG2 VAL 18 3.638 9.708 -2.640 134 HG22 VAL 18 1HG2 VAL 18 5.253 9.187 -3.115 135 HG23 VAL 18 2HG2 VAL 18 4.492 10.556 -3.931 136 H LEU 19 HN LEU 19 7.542 10.119 0.639 137 HA LEU 19 HA LEU 19 7.101 12.489 2.290 138 HB2 LEU 19 2HB LEU 19 9.390 10.509 2.291 139 HB3 LEU 19 1HB LEU 19 9.135 11.783 3.466 140 HG LEU 19 HG LEU 19 7.334 9.393 3.049 141 HD11 LEU 19 1HD1 LEU 19 9.464 8.807 4.076 142 HD12 LEU 19 2HD1 LEU 19 8.141 8.671 5.231 143 HD13 LEU 19 3HD1 LEU 19 9.230 10.056 5.298 144 HD21 LEU 19 3HD2 LEU 19 6.158 10.172 5.036 145 HD22 LEU 19 1HD2 LEU 19 6.095 11.383 3.756 146 HD23 LEU 19 2HD2 LEU 19 7.203 11.592 5.115 147 H TYR 20 HN TYR 20 7.801 14.404 1.585 148 HA TYR 20 HA TYR 20 10.169 14.488 -0.132 149 HB2 TYR 20 2HB TYR 20 9.085 15.942 -1.739 150 HB3 TYR 20 1HB TYR 20 8.164 14.450 -1.593 151 HD1 TYR 20 2HD TYR 20 6.061 14.506 -0.090 152 HD2 TYR 20 1HD TYR 20 8.044 18.014 -1.461 153 HE1 TYR 20 2HE TYR 20 4.030 15.822 0.348 154 HE2 TYR 20 1HE TYR 20 6.019 19.335 -1.027 155 HH TYR 20 HH TYR 20 3.581 18.962 -0.844 156 H ASP 21 HN ASP 21 10.935 16.754 -0.459 157 HA ASP 21 HA ASP 21 10.963 18.108 2.105 158 HB2 ASP 21 2HB ASP 21 13.008 17.655 0.573 159 HB3 ASP 21 1HB ASP 21 12.416 19.011 -0.378 160 H GLU 22 HN GLU 22 9.137 19.256 2.412 161 HA GLU 22 HA GLU 22 7.697 20.504 0.301 162 HB2 GLU 22 2HB GLU 22 6.313 21.457 2.171 163 HB3 GLU 22 1HB GLU 22 6.437 19.705 2.158 164 HG2 GLU 22 2HG GLU 22 8.059 19.753 3.927 165 HG3 GLU 22 1HG GLU 22 8.103 21.513 3.887 166 H GLU 23 HN GLU 23 10.456 21.455 1.907 167 HA GLU 23 HA GLU 23 9.936 24.301 1.769 168 HB2 GLU 23 2HB GLU 23 12.446 22.751 2.417 169 HB3 GLU 23 1HB GLU 23 12.262 24.490 2.563 170 HG2 GLU 23 2HG GLU 23 10.487 22.586 4.038 171 HG3 GLU 23 1HG GLU 23 12.050 23.090 4.674 172 H ARG 24 HN ARG 24 10.833 21.864 -0.346 173 HA ARG 24 HA ARG 24 12.386 23.721 -2.021 174 HB2 ARG 24 2HB ARG 24 13.533 21.620 -1.103 175 HB3 ARG 24 1HB ARG 24 12.514 20.719 -2.215 176 HG2 ARG 24 2HG ARG 24 14.447 20.968 -3.430 177 HG3 ARG 24 1HG ARG 24 13.479 22.324 -4.008 178 HD2 ARG 24 2HD ARG 24 15.688 22.411 -1.957 179 HD3 ARG 24 1HD ARG 24 15.735 23.069 -3.591 180 HE ARG 24 HE ARG 24 13.822 24.550 -2.736 181 HH11 ARG 24 1HH1 ARG 24 16.542 23.434 -0.820 182 HH12 ARG 24 2HH1 ARG 24 16.406 24.715 0.350 183 HH21 ARG 24 1HH2 ARG 24 13.673 26.256 -1.251 184 HH22 ARG 24 2HH2 ARG 24 14.782 26.351 0.078 185 H TYR 25 HN TYR 25 10.332 20.808 -2.349 186 HA TYR 25 HA TYR 25 9.087 22.050 -4.716 187 HB2 TYR 25 2HB TYR 25 9.917 19.143 -4.524 188 HB3 TYR 25 1HB TYR 25 9.132 19.918 -5.891 189 HD1 TYR 25 2HD TYR 25 10.504 22.063 -6.790 190 HD2 TYR 25 1HD TYR 25 12.168 18.763 -4.685 191 HE1 TYR 25 2HE TYR 25 12.707 22.568 -7.757 192 HE2 TYR 25 1HE TYR 25 14.375 19.260 -5.646 193 HH TYR 25 HH TYR 25 15.101 22.165 -7.173 194 H ASP 26 HN ASP 26 7.163 20.578 -5.388 195 HA ASP 26 HA ASP 26 5.895 19.281 -3.101 196 HB2 ASP 26 2HB ASP 26 4.979 21.556 -3.120 197 HB3 ASP 26 1HB ASP 26 4.535 21.376 -4.813 198 H ILE 27 HN ILE 27 4.057 17.922 -3.785 199 HA ILE 27 HA ILE 27 4.948 16.285 -5.951 200 HB ILE 27 HB ILE 27 2.431 16.031 -4.293 201 HG12 ILE 27 2HG1 ILE 27 5.130 14.706 -3.937 202 HG13 ILE 27 1HG1 ILE 27 4.500 16.007 -2.931 203 HG21 ILE 27 1HG2 ILE 27 3.867 14.022 -6.027 204 HG22 ILE 27 2HG2 ILE 27 2.310 14.774 -6.371 205 HG23 ILE 27 3HG2 ILE 27 2.475 13.680 -4.997 206 HD11 ILE 27 3HD1 ILE 27 3.305 13.259 -3.217 207 HD12 ILE 27 1HD1 ILE 27 2.684 14.557 -2.198 208 HD13 ILE 27 2HD1 ILE 27 4.259 13.841 -1.851 209 H VAL 28 HN VAL 28 4.470 16.558 -7.996 210 HA VAL 28 HA VAL 28 1.985 17.911 -8.749 211 HB VAL 28 HB VAL 28 4.366 17.122 -10.445 212 HG11 VAL 28 1HG1 VAL 28 3.332 18.490 -12.193 213 HG12 VAL 28 2HG1 VAL 28 1.923 18.741 -11.161 214 HG13 VAL 28 3HG1 VAL 28 2.309 17.125 -11.748 215 HG21 VAL 28 3HG2 VAL 28 3.469 19.786 -9.357 216 HG22 VAL 28 1HG2 VAL 28 4.761 19.565 -10.538 217 HG23 VAL 28 2HG2 VAL 28 4.926 18.894 -8.915 218 H GLU 29 HN GLU 29 3.822 14.967 -9.436 219 HA GLU 29 HA GLU 29 1.298 13.566 -9.947 220 HB2 GLU 29 2HB GLU 29 3.827 13.323 -11.589 221 HB3 GLU 29 1HB GLU 29 2.450 12.241 -11.720 222 HG2 GLU 29 2HG GLU 29 1.059 14.007 -12.530 223 HG3 GLU 29 1HG GLU 29 2.320 15.200 -12.223 224 H GLN 30 HN GLN 30 1.385 11.315 -9.462 225 HA GLN 30 HA GLN 30 3.697 10.015 -8.480 226 HB2 GLN 30 2HB GLN 30 3.201 9.867 -6.132 227 HB3 GLN 30 1HB GLN 30 3.216 11.574 -6.551 228 HG2 GLN 30 2HG GLN 30 0.880 11.738 -6.439 229 HG3 GLN 30 1HG GLN 30 0.672 9.988 -6.473 230 HE21 GLN 30 1HE2 GLN 30 1.071 8.789 -4.594 231 HE22 GLN 30 2HE2 GLN 30 1.132 9.539 -3.037 232 H THR 31 HN THR 31 3.168 7.839 -7.703 233 HA THR 31 HA THR 31 0.729 6.744 -8.748 234 HB THR 31 HB THR 31 2.626 5.379 -6.828 235 HG1 THR 31 1HG THR 31 3.244 4.764 -9.351 236 HG21 THR 31 3HG2 THR 31 1.953 3.366 -8.082 237 HG22 THR 31 1HG2 THR 31 0.873 4.352 -9.067 238 HG23 THR 31 2HG2 THR 31 0.573 4.172 -7.339 239 H GLU 32 HN GLU 32 -1.177 6.766 -7.684 240 HA GLU 32 HA GLU 32 -1.267 7.901 -5.043 241 HB2 GLU 32 2HB GLU 32 -3.436 6.981 -6.923 242 HB3 GLU 32 1HB GLU 32 -3.752 7.686 -5.342 243 HG2 GLU 32 2HG GLU 32 -2.578 9.721 -6.034 244 HG3 GLU 32 1HG GLU 32 -2.321 9.020 -7.629 245 H THR 33 HN THR 33 -2.244 4.818 -6.483 246 HA THR 33 HA THR 33 -1.970 3.586 -3.844 247 HB THR 33 HB THR 33 -4.054 2.177 -4.488 248 HG1 THR 33 1HG THR 33 -4.834 2.806 -6.372 249 HG21 THR 33 3HG2 THR 33 -5.553 3.796 -3.396 250 HG22 THR 33 1HG2 THR 33 -4.334 5.053 -3.613 251 HG23 THR 33 2HG2 THR 33 -3.999 3.672 -2.566 252 H VAL 34 HN VAL 34 -1.369 1.407 -3.874 253 HA VAL 34 HA VAL 34 -0.864 0.250 -6.537 254 HB VAL 34 HB VAL 34 1.086 -0.747 -4.682 255 HG11 VAL 34 1HG1 VAL 34 2.640 -0.005 -6.428 256 HG12 VAL 34 2HG1 VAL 34 1.329 0.881 -7.207 257 HG13 VAL 34 3HG1 VAL 34 1.259 -0.877 -7.091 258 HG21 VAL 34 3HG2 VAL 34 0.839 1.428 -3.546 259 HG22 VAL 34 1HG2 VAL 34 1.175 2.250 -5.069 260 HG23 VAL 34 2HG2 VAL 34 2.419 1.256 -4.309 261 H GLN 35 HN GLN 35 -0.883 -2.037 -6.625 262 HA GLN 35 HA GLN 35 -2.770 -3.150 -4.694 263 HB2 GLN 35 2HB GLN 35 -2.902 -3.131 -7.344 264 HB3 GLN 35 1HB GLN 35 -1.921 -4.577 -7.182 265 HG2 GLN 35 2HG GLN 35 -4.622 -4.165 -5.914 266 HG3 GLN 35 1HG GLN 35 -4.324 -5.042 -7.412 267 HE21 GLN 35 1HE2 GLN 35 -3.172 -7.007 -7.324 268 HE22 GLN 35 2HE2 GLN 35 -3.123 -7.939 -5.860 269 H VAL 36 HN VAL 36 -2.109 -4.525 -3.160 270 HA VAL 36 HA VAL 36 0.441 -5.981 -3.555 271 HB VAL 36 HB VAL 36 -0.599 -4.918 -0.916 272 HG11 VAL 36 1HG1 VAL 36 1.602 -5.545 -0.068 273 HG12 VAL 36 2HG1 VAL 36 2.040 -6.176 -1.653 274 HG13 VAL 36 3HG1 VAL 36 0.751 -6.943 -0.726 275 HG21 VAL 36 3HG2 VAL 36 1.226 -3.292 -1.030 276 HG22 VAL 36 1HG2 VAL 36 0.090 -3.077 -2.362 277 HG23 VAL 36 2HG2 VAL 36 1.641 -3.867 -2.644 278 H ASP 37 HN ASP 37 0.331 -8.082 -3.386 279 HA ASP 37 HA ASP 37 -1.957 -9.310 -1.984 280 HB2 ASP 37 2HB ASP 37 -2.100 -9.782 -4.353 281 HB3 ASP 37 1HB ASP 37 -0.412 -10.280 -4.401 282 H LEU 38 HN LEU 38 -1.508 -10.866 -0.473 283 HA LEU 38 HA LEU 38 1.354 -11.351 0.041 284 HB2 LEU 38 2HB LEU 38 -0.874 -11.014 2.052 285 HB3 LEU 38 1HB LEU 38 0.774 -11.463 2.447 286 HG LEU 38 HG LEU 38 -0.097 -8.837 1.237 287 HD11 LEU 38 1HD1 LEU 38 0.542 -7.895 3.391 288 HD12 LEU 38 2HD1 LEU 38 0.924 -9.508 3.994 289 HD13 LEU 38 3HD1 LEU 38 -0.740 -9.091 3.582 290 HD21 LEU 38 3HD2 LEU 38 2.628 -9.757 2.144 291 HD22 LEU 38 1HD2 LEU 38 2.217 -8.144 1.567 292 HD23 LEU 38 2HD2 LEU 38 2.128 -9.522 0.469 293 H GLU 39 HN GLU 39 1.981 -13.409 0.156 294 HA GLU 39 HA GLU 39 -0.060 -15.435 0.792 295 HB2 GLU 39 2HB GLU 39 2.193 -15.550 -1.193 296 HB3 GLU 39 1HB GLU 39 1.506 -17.016 -0.506 297 HG2 GLU 39 2HG GLU 39 -0.711 -16.299 -1.338 298 HG3 GLU 39 1HG GLU 39 0.081 -14.939 -2.125 299 H GLY 40 HN GLY 40 0.863 -17.429 1.730 300 HA2 GLY 40 2HA GLY 40 3.275 -18.112 2.553 301 HA3 GLY 40 1HA GLY 40 2.988 -16.752 3.629 302 HA PRO 41 HA PRO 41 1.584 -20.575 5.863 303 HB2 PRO 41 2HB PRO 41 2.152 -19.394 8.309 304 HB3 PRO 41 1HB PRO 41 3.240 -20.465 7.416 305 HG2 PRO 41 2HG PRO 41 3.197 -17.479 7.549 306 HG3 PRO 41 1HG PRO 41 4.583 -18.584 7.509 307 HD2 PRO 41 2HD PRO 41 3.814 -17.215 5.333 308 HD3 PRO 41 1HD PRO 41 4.446 -18.870 5.213 309 H ARG 42 HN ARG 42 -0.484 -20.798 6.325 310 HA ARG 42 HA ARG 42 -2.361 -18.793 6.145 311 HB2 ARG 42 2HB ARG 42 -3.946 -20.414 7.192 312 HB3 ARG 42 1HB ARG 42 -3.019 -21.068 5.851 313 HG2 ARG 42 2HG ARG 42 -1.559 -22.237 7.373 314 HG3 ARG 42 1HG ARG 42 -2.366 -21.501 8.758 315 HD2 ARG 42 2HD ARG 42 -4.423 -22.651 8.216 316 HD3 ARG 42 1HD ARG 42 -3.704 -23.308 6.746 317 HE ARG 42 HE ARG 42 -2.164 -24.549 8.228 318 HH11 ARG 42 1HH1 ARG 42 -5.225 -23.416 9.504 319 HH12 ARG 42 2HH1 ARG 42 -5.312 -24.639 10.739 320 HH21 ARG 42 1HH2 ARG 42 -2.262 -26.132 9.882 321 HH22 ARG 42 2HH2 ARG 42 -3.608 -26.151 10.978 322 H GLY 43 HN GLY 43 -0.731 -19.967 9.042 323 HA2 GLY 43 2HA GLY 43 -2.478 -18.884 10.959 324 HA3 GLY 43 1HA GLY 43 -0.791 -19.286 11.230 325 H VAL 44 HN VAL 44 0.363 -17.450 9.387 326 HA VAL 44 HA VAL 44 0.514 -15.181 11.061 327 HB VAL 44 HB VAL 44 1.440 -15.451 8.192 328 HG11 VAL 44 1HG1 VAL 44 2.999 -13.642 8.739 329 HG12 VAL 44 2HG1 VAL 44 2.272 -13.502 10.340 330 HG13 VAL 44 3HG1 VAL 44 1.321 -13.122 8.904 331 HG21 VAL 44 3HG2 VAL 44 3.630 -15.969 9.183 332 HG22 VAL 44 1HG2 VAL 44 2.408 -17.173 9.591 333 HG23 VAL 44 2HG2 VAL 44 2.890 -15.967 10.784 334 H LEU 45 HN LEU 45 -1.210 -15.830 8.060 335 HA LEU 45 HA LEU 45 -2.110 -13.187 7.619 336 HB2 LEU 45 2HB LEU 45 -3.304 -15.808 6.722 337 HB3 LEU 45 1HB LEU 45 -3.770 -14.231 6.113 338 HG LEU 45 HG LEU 45 -1.055 -15.515 5.805 339 HD11 LEU 45 1HD1 LEU 45 -1.644 -15.578 3.424 340 HD12 LEU 45 2HD1 LEU 45 -3.260 -14.989 3.823 341 HD13 LEU 45 3HD1 LEU 45 -2.725 -16.565 4.409 342 HD21 LEU 45 3HD2 LEU 45 -0.538 -13.608 4.362 343 HD22 LEU 45 1HD2 LEU 45 -0.885 -13.089 6.013 344 HD23 LEU 45 2HD2 LEU 45 -2.102 -12.890 4.753 345 H THR 46 HN THR 46 -3.353 -15.846 9.539 346 HA THR 46 HA THR 46 -5.917 -14.763 10.066 347 HB THR 46 HB THR 46 -4.337 -16.526 11.947 348 HG1 THR 46 1HG THR 46 -5.550 -17.088 9.471 349 HG21 THR 46 3HG2 THR 46 -6.440 -15.673 12.845 350 HG22 THR 46 1HG2 THR 46 -6.563 -17.404 12.527 351 HG23 THR 46 2HG2 THR 46 -7.299 -16.248 11.415 352 H VAL 47 HN VAL 47 -2.823 -14.580 11.808 353 HA VAL 47 HA VAL 47 -3.737 -12.936 13.921 354 HB VAL 47 HB VAL 47 -0.942 -13.103 12.775 355 HG11 VAL 47 1HG1 VAL 47 -1.248 -11.179 14.237 356 HG12 VAL 47 2HG1 VAL 47 -0.210 -12.386 14.994 357 HG13 VAL 47 3HG1 VAL 47 -1.892 -12.227 15.500 358 HG21 VAL 47 3HG2 VAL 47 -2.240 -14.722 14.960 359 HG22 VAL 47 1HG2 VAL 47 -0.533 -14.779 14.523 360 HG23 VAL 47 2HG2 VAL 47 -1.756 -15.308 13.370 361 H PHE 48 HN PHE 48 -2.432 -12.274 10.735 362 HA PHE 48 HA PHE 48 -2.214 -9.460 11.000 363 HB2 PHE 48 2HB PHE 48 -1.127 -10.956 9.251 364 HB3 PHE 48 1HB PHE 48 -2.685 -10.992 8.438 365 HD1 PHE 48 1HD PHE 48 -0.001 -8.721 9.592 366 HD2 PHE 48 2HD PHE 48 -3.303 -9.286 6.973 367 HE1 PHE 48 1HE PHE 48 0.597 -6.654 8.398 368 HE2 PHE 48 2HE PHE 48 -2.713 -7.221 5.777 369 HZ PHE 48 HZ PHE 48 -0.762 -5.901 6.489 370 H ARG 49 HN ARG 49 -4.827 -11.617 10.228 371 HA ARG 49 HA ARG 49 -6.620 -9.647 9.221 372 HB2 ARG 49 2HB ARG 49 -6.611 -12.497 9.738 373 HB3 ARG 49 1HB ARG 49 -8.132 -11.770 10.207 374 HG2 ARG 49 2HG ARG 49 -6.873 -11.382 7.503 375 HG3 ARG 49 1HG ARG 49 -8.033 -12.659 7.869 376 HD2 ARG 49 2HD ARG 49 -9.251 -10.877 6.879 377 HD3 ARG 49 1HD ARG 49 -9.633 -10.868 8.598 378 HE ARG 49 HE ARG 49 -7.544 -9.095 8.281 379 HH11 ARG 49 1HH1 ARG 49 -10.809 -9.433 7.067 380 HH12 ARG 49 2HH1 ARG 49 -11.039 -7.720 6.857 381 HH21 ARG 49 1HH2 ARG 49 -7.858 -6.833 8.043 382 HH22 ARG 49 2HH2 ARG 49 -9.383 -6.256 7.436 383 H PHE 50 HN PHE 50 -5.966 -11.025 12.400 384 HA PHE 50 HA PHE 50 -8.092 -9.769 13.772 385 HB2 PHE 50 2HB PHE 50 -5.384 -10.713 14.717 386 HB3 PHE 50 1HB PHE 50 -6.647 -10.136 15.784 387 HD1 PHE 50 2HD PHE 50 -9.053 -11.379 14.744 388 HD2 PHE 50 1HD PHE 50 -5.112 -12.956 15.103 389 HE1 PHE 50 2HE PHE 50 -9.977 -13.660 14.858 390 HE2 PHE 50 1HE PHE 50 -6.028 -15.233 15.218 391 HZ PHE 50 HZ PHE 50 -8.462 -15.588 15.097 392 H ALA 51 HN ALA 51 -4.951 -8.743 12.745 393 HA ALA 51 HA ALA 51 -4.681 -6.494 14.433 394 HB1 ALA 51 1HB ALA 51 -3.364 -7.043 11.777 395 HB2 ALA 51 2HB ALA 51 -2.776 -7.591 13.346 396 HB3 ALA 51 3HB ALA 51 -2.840 -5.867 12.982 397 H ARG 52 HN ARG 52 -5.432 -4.495 14.248 398 HA ARG 52 HA ARG 52 -7.150 -3.645 12.171 399 HB2 ARG 52 2HB ARG 52 -7.077 -2.893 14.615 400 HB3 ARG 52 1HB ARG 52 -5.639 -1.976 14.195 401 HG2 ARG 52 2HG ARG 52 -6.924 -0.755 12.545 402 HG3 ARG 52 1HG ARG 52 -8.362 -1.641 13.025 403 HD2 ARG 52 2HD ARG 52 -8.205 -0.722 15.271 404 HD3 ARG 52 1HD ARG 52 -6.729 0.133 14.828 405 HE ARG 52 HE ARG 52 -9.052 0.741 13.204 406 HH11 ARG 52 1HH1 ARG 52 -7.189 1.623 16.046 407 HH12 ARG 52 2HH1 ARG 52 -7.715 3.278 16.018 408 HH21 ARG 52 1HH2 ARG 52 -9.725 2.902 13.164 409 HH22 ARG 52 2HH2 ARG 52 -9.138 4.023 14.361 410 HA PRO 53 HA PRO 53 -4.208 -2.408 9.100 411 HB2 PRO 53 2HB PRO 53 -5.049 0.254 8.690 412 HB3 PRO 53 1HB PRO 53 -5.519 -1.174 7.766 413 HG2 PRO 53 2HG PRO 53 -6.962 0.241 9.932 414 HG3 PRO 53 1HG PRO 53 -7.610 -0.701 8.579 415 HD2 PRO 53 2HD PRO 53 -7.596 -1.625 11.119 416 HD3 PRO 53 1HD PRO 53 -7.413 -2.702 9.720 417 H SER 54 HN SER 54 -2.221 -2.093 9.655 418 HA SER 54 HA SER 54 -1.378 0.409 10.898 419 HB2 SER 54 2HB SER 54 0.380 -1.260 11.931 420 HB3 SER 54 1HB SER 54 -1.188 -1.034 12.683 421 HG SER 54 HG SER 54 -1.811 -2.973 12.048 422 H TYR 55 HN TYR 55 -1.392 -1.348 8.297 423 HA TYR 55 HA TYR 55 1.445 -1.294 7.627 424 HB2 TYR 55 2HB TYR 55 0.401 -2.501 5.503 425 HB3 TYR 55 1HB TYR 55 0.697 -3.377 7.000 426 HD1 TYR 55 1HD TYR 55 -1.160 -4.019 8.454 427 HD2 TYR 55 2HD TYR 55 -1.863 -2.039 4.754 428 HE1 TYR 55 1HE TYR 55 -3.529 -4.661 8.571 429 HE2 TYR 55 2HE TYR 55 -4.237 -2.676 4.859 430 HH TYR 55 HH TYR 55 -5.675 -4.312 5.910 431 H GLU 56 HN GLU 56 2.280 0.033 6.115 432 HA GLU 56 HA GLU 56 0.451 1.673 4.525 433 HB2 GLU 56 2HB GLU 56 2.715 2.768 6.204 434 HB3 GLU 56 1HB GLU 56 1.753 3.698 5.064 435 HG2 GLU 56 2HG GLU 56 -0.253 3.187 6.432 436 HG3 GLU 56 1HG GLU 56 0.804 2.406 7.610 437 H VAL 57 HN VAL 57 1.376 2.529 2.638 438 HA VAL 57 HA VAL 57 4.026 1.437 1.954 439 HB VAL 57 HB VAL 57 1.980 2.291 -0.087 440 HG11 VAL 57 1HG1 VAL 57 4.258 2.024 -0.865 441 HG12 VAL 57 2HG1 VAL 57 3.238 0.745 -1.523 442 HG13 VAL 57 3HG1 VAL 57 4.326 0.401 -0.178 443 HG21 VAL 57 3HG2 VAL 57 0.880 0.593 1.272 444 HG22 VAL 57 1HG2 VAL 57 2.273 -0.473 1.091 445 HG23 VAL 57 2HG2 VAL 57 1.294 -0.055 -0.315 446 H PHE 58 HN PHE 58 5.571 2.940 1.659 447 HA PHE 58 HA PHE 58 4.895 5.589 0.738 448 HB2 PHE 58 2HB PHE 58 5.796 6.764 2.690 449 HB3 PHE 58 1HB PHE 58 4.413 5.776 3.139 450 HD1 PHE 58 2HD PHE 58 4.757 3.688 4.426 451 HD2 PHE 58 1HD PHE 58 7.952 6.380 3.603 452 HE1 PHE 58 2HE PHE 58 6.095 2.639 6.204 453 HE2 PHE 58 1HE PHE 58 9.293 5.335 5.381 454 HZ PHE 58 HZ PHE 58 8.367 3.463 6.687 455 H VAL 59 HN VAL 59 6.674 6.812 0.100 456 HA VAL 59 HA VAL 59 9.275 5.447 0.200 457 HB VAL 59 HB VAL 59 9.692 6.341 -2.145 458 HG11 VAL 59 1HG1 VAL 59 7.613 4.188 -1.772 459 HG12 VAL 59 2HG1 VAL 59 9.365 3.979 -1.729 460 HG13 VAL 59 3HG1 VAL 59 8.570 4.445 -3.233 461 HG21 VAL 59 3HG2 VAL 59 6.687 6.580 -2.120 462 HG22 VAL 59 1HG2 VAL 59 7.708 6.683 -3.555 463 HG23 VAL 59 2HG2 VAL 59 7.844 7.899 -2.288 464 H ASP 60 HN ASP 60 10.927 6.723 0.753 465 HA ASP 60 HA ASP 60 10.453 9.534 1.245 466 HB2 ASP 60 2HB ASP 60 11.840 8.114 2.785 467 HB3 ASP 60 1HB ASP 60 13.045 7.991 1.505 468 H LEU 61 HN LEU 61 10.741 11.029 -0.215 469 HA LEU 61 HA LEU 61 12.731 10.611 -2.333 470 HB2 LEU 61 2HB LEU 61 9.903 11.628 -2.687 471 HB3 LEU 61 1HB LEU 61 11.127 11.605 -3.944 472 HG LEU 61 HG LEU 61 10.215 9.095 -2.551 473 HD11 LEU 61 1HD1 LEU 61 8.765 8.676 -4.452 474 HD12 LEU 61 2HD1 LEU 61 9.160 10.262 -5.115 475 HD13 LEU 61 3HD1 LEU 61 8.277 10.137 -3.594 476 HD21 LEU 61 3HD2 LEU 61 11.132 8.020 -4.549 477 HD22 LEU 61 1HD2 LEU 61 12.355 8.967 -3.702 478 HD23 LEU 61 2HD2 LEU 61 11.615 9.596 -5.174 479 H THR 62 HN THR 62 12.750 12.069 0.174 480 HA THR 62 HA THR 62 12.378 14.843 -0.246 481 HB THR 62 HB THR 62 13.842 15.116 1.752 482 HG1 THR 62 1HG THR 62 13.949 12.263 1.833 483 HG21 THR 62 3HG2 THR 62 11.445 14.716 2.030 484 HG22 THR 62 1HG2 THR 62 12.367 13.969 3.334 485 HG23 THR 62 2HG2 THR 62 11.731 12.976 2.024 486 H GLU 63 HN GLU 63 14.871 12.615 -1.093 487 HA GLU 63 HA GLU 63 16.811 14.726 -1.626 488 HB2 GLU 63 2HB GLU 63 17.007 11.724 -1.823 489 HB3 GLU 63 1HB GLU 63 18.335 12.827 -2.107 490 HG2 GLU 63 2HG GLU 63 18.326 13.514 0.142 491 HG3 GLU 63 1HG GLU 63 16.816 12.680 0.449 492 H ALA 64 HN ALA 64 14.222 13.689 -3.203 493 HA ALA 64 HA ALA 64 15.473 13.524 -5.848 494 HB1 ALA 64 1HB ALA 64 13.796 11.828 -5.332 495 HB2 ALA 64 2HB ALA 64 13.265 12.862 -6.657 496 HB3 ALA 64 3HB ALA 64 12.597 13.090 -5.043 497 H GLY 65 HN GLY 65 13.993 14.688 -7.598 498 HA2 GLY 65 2HA GLY 65 12.735 17.113 -6.848 499 HA3 GLY 65 1HA GLY 65 14.400 17.417 -7.315 500 H GLU 66 HN GLU 66 14.778 17.822 -9.371 501 HA GLU 66 HA GLU 66 12.688 18.138 -11.205 502 HB2 GLU 66 2HB GLU 66 15.648 17.988 -11.755 503 HB3 GLU 66 1HB GLU 66 14.440 18.610 -12.859 504 HG2 GLU 66 2HG GLU 66 13.930 20.420 -11.351 505 HG3 GLU 66 1HG GLU 66 15.053 19.771 -10.157 506 H GLY 67 HN GLY 67 12.090 17.090 -13.025 507 HA2 GLY 67 2HA GLY 67 11.766 15.358 -14.498 508 HA3 GLY 67 1HA GLY 67 13.316 14.705 -14.000 509 H SER 68 HN SER 68 10.445 13.634 -14.412 510 HA SER 68 HA SER 68 9.723 12.648 -11.837 511 HB2 SER 68 2HB SER 68 8.102 12.869 -13.716 512 HB3 SER 68 1HB SER 68 8.900 11.524 -14.520 513 HG SER 68 HG SER 68 7.899 11.317 -11.885 514 H HIS 69 HN HIS 69 10.244 10.810 -10.885 515 HA HIS 69 HA HIS 69 12.233 9.114 -12.226 516 HB2 HIS 69 2HB HIS 69 12.459 10.520 -9.593 517 HB3 HIS 69 1HB HIS 69 13.279 8.979 -9.828 518 HD1 HIS 69 1HD HIS 69 13.432 12.581 -10.806 519 HD2 HIS 69 2HD HIS 69 15.373 9.015 -11.717 520 HE1 HIS 69 1HE HIS 69 15.554 13.241 -11.981 521 HE2 HIS 69 2HE HIS 69 16.760 11.075 -12.448 522 H THR 70 HN THR 70 12.129 6.998 -11.831 523 HA THR 70 HA THR 70 9.805 6.105 -10.264 524 HB THR 70 HB THR 70 11.092 4.473 -12.434 525 HG1 THR 70 1HG THR 70 9.174 5.552 -13.666 526 HG21 THR 70 3HG2 THR 70 8.222 4.710 -11.524 527 HG22 THR 70 1HG2 THR 70 9.358 3.508 -10.916 528 HG23 THR 70 2HG2 THR 70 8.896 3.501 -12.617 529 H VAL 71 HN VAL 71 10.278 4.992 -8.471 530 HA VAL 71 HA VAL 71 12.848 3.539 -8.373 531 HB VAL 71 HB VAL 71 12.983 4.036 -5.957 532 HG11 VAL 71 1HG1 VAL 71 14.205 5.440 -7.518 533 HG12 VAL 71 2HG1 VAL 71 13.630 6.393 -6.149 534 HG13 VAL 71 3HG1 VAL 71 12.799 6.489 -7.702 535 HG21 VAL 71 3HG2 VAL 71 10.645 5.873 -6.461 536 HG22 VAL 71 1HG2 VAL 71 11.563 5.756 -4.962 537 HG23 VAL 71 2HG2 VAL 71 10.605 4.384 -5.517 538 H ASP 72 HN ASP 72 12.877 1.673 -6.955 539 HA ASP 72 HA ASP 72 10.427 0.179 -7.057 540 HB2 ASP 72 2HB ASP 72 12.673 -0.875 -7.307 541 HB3 ASP 72 1HB ASP 72 13.002 -0.508 -5.617 542 H VAL 73 HN VAL 73 8.974 -0.176 -5.472 543 HA VAL 73 HA VAL 73 9.047 1.763 -3.333 544 HB VAL 73 HB VAL 73 6.871 -0.206 -4.045 545 HG11 VAL 73 1HG1 VAL 73 5.409 1.273 -2.758 546 HG12 VAL 73 2HG1 VAL 73 6.798 2.268 -2.322 547 HG13 VAL 73 3HG1 VAL 73 6.695 0.602 -1.754 548 HG21 VAL 73 3HG2 VAL 73 7.344 1.305 -5.892 549 HG22 VAL 73 1HG2 VAL 73 7.202 2.692 -4.812 550 HG23 VAL 73 2HG2 VAL 73 5.789 1.691 -5.154 551 H GLU 74 HN GLU 74 9.515 1.420 -1.296 552 HA GLU 74 HA GLU 74 9.983 -1.272 -0.323 553 HB2 GLU 74 2HB GLU 74 10.997 1.320 0.313 554 HB3 GLU 74 1HB GLU 74 10.243 0.660 1.758 555 HG2 GLU 74 2HG GLU 74 12.426 -0.603 0.117 556 HG3 GLU 74 1HG GLU 74 12.570 0.079 1.737 557 H HIS 75 HN HIS 75 8.987 -2.061 1.621 558 HA HIS 75 HA HIS 75 6.284 -0.954 2.019 559 HB2 HIS 75 2HB HIS 75 5.680 -3.456 2.455 560 HB3 HIS 75 1HB HIS 75 5.790 -2.862 0.804 561 HD1 HIS 75 1HD HIS 75 8.373 -4.337 3.225 562 HD2 HIS 75 2HD HIS 75 7.037 -4.671 -0.698 563 HE1 HIS 75 1HE HIS 75 9.795 -6.120 2.174 564 HE2 HIS 75 2HE HIS 75 9.142 -6.107 -0.264 565 H ARG 76 HN ARG 76 5.366 -1.173 4.083 566 HA ARG 76 HA ARG 76 6.996 -2.298 6.206 567 HB2 ARG 76 2HB ARG 76 7.708 0.124 5.802 568 HB3 ARG 76 1HB ARG 76 6.118 0.584 6.394 569 HG2 ARG 76 2HG ARG 76 6.573 -0.141 8.551 570 HG3 ARG 76 1HG ARG 76 7.908 -1.169 8.026 571 HD2 ARG 76 2HD ARG 76 9.118 0.930 7.351 572 HD3 ARG 76 1HD ARG 76 7.845 1.840 8.161 573 HE ARG 76 HE ARG 76 8.765 1.273 10.179 574 HH11 ARG 76 1HH1 ARG 76 10.163 -0.730 7.659 575 HH12 ARG 76 2HH1 ARG 76 11.367 -1.430 8.704 576 HH21 ARG 76 1HH2 ARG 76 10.375 0.374 11.550 577 HH22 ARG 76 2HH2 ARG 76 11.467 -0.826 10.924 578 H GLY 77 HN GLY 77 5.820 -2.822 8.032 579 HA2 GLY 77 2HA GLY 77 3.683 -2.421 9.291 580 HA3 GLY 77 1HA GLY 77 2.895 -2.553 7.722 581 H PHE 78 HN PHE 78 3.246 -4.615 6.546 582 HA PHE 78 HA PHE 78 2.904 -6.865 8.282 583 HB2 PHE 78 2HB PHE 78 2.900 -8.155 6.071 584 HB3 PHE 78 1HB PHE 78 1.612 -6.983 6.310 585 HD1 PHE 78 2HD PHE 78 4.668 -7.764 4.443 586 HD2 PHE 78 1HD PHE 78 1.484 -4.989 4.973 587 HE1 PHE 78 2HE PHE 78 5.246 -6.696 2.304 588 HE2 PHE 78 1HE PHE 78 2.056 -3.921 2.831 589 HZ PHE 78 HZ PHE 78 3.941 -4.770 1.498 590 HA PRO 79 HA PRO 79 7.091 -8.041 8.781 591 HB2 PRO 79 2HB PRO 79 6.825 -10.754 8.994 592 HB3 PRO 79 1HB PRO 79 6.422 -9.620 10.288 593 HG2 PRO 79 2HG PRO 79 4.617 -10.971 8.319 594 HG3 PRO 79 1HG PRO 79 4.376 -10.695 10.054 595 HD2 PRO 79 2HD PRO 79 3.200 -9.156 8.182 596 HD3 PRO 79 1HD PRO 79 3.726 -8.500 9.745 597 H GLY 80 HN GLY 80 8.837 -8.650 7.614 598 HA2 GLY 80 2HA GLY 80 8.431 -9.253 4.818 599 HA3 GLY 80 1HA GLY 80 9.970 -8.955 5.614 600 H ASP 81 HN ASP 81 7.447 -11.341 6.247 601 HA ASP 81 HA ASP 81 9.449 -13.469 5.851 602 HB2 ASP 81 2HB ASP 81 8.673 -13.093 8.216 603 HB3 ASP 81 1HB ASP 81 7.060 -13.541 7.689 604 H LEU 82 HN LEU 82 6.431 -12.163 5.015 605 HA LEU 82 HA LEU 82 5.328 -14.613 3.943 606 HB2 LEU 82 2HB LEU 82 4.317 -11.769 3.854 607 HB3 LEU 82 1HB LEU 82 3.433 -13.169 3.281 608 HG LEU 82 HG LEU 82 4.253 -12.690 6.147 609 HD11 LEU 82 1HD1 LEU 82 2.531 -11.129 5.386 610 HD12 LEU 82 2HD1 LEU 82 1.879 -12.293 6.539 611 HD13 LEU 82 3HD1 LEU 82 1.555 -12.482 4.816 612 HD21 LEU 82 3HD2 LEU 82 2.807 -14.602 6.636 613 HD22 LEU 82 1HD2 LEU 82 4.138 -15.060 5.573 614 HD23 LEU 82 2HD2 LEU 82 2.523 -14.831 4.911 615 H ALA 83 HN ALA 83 4.507 -14.618 1.689 616 HA ALA 83 HA ALA 83 6.540 -13.677 -0.147 617 HB1 ALA 83 1HB ALA 83 5.622 -15.922 -0.430 618 HB2 ALA 83 2HB ALA 83 5.272 -14.921 -1.839 619 HB3 ALA 83 3HB ALA 83 4.009 -15.247 -0.650 620 H VAL 84 HN VAL 84 6.435 -11.580 -0.612 621 HA VAL 84 HA VAL 84 3.842 -10.252 -0.756 622 HB VAL 84 HB VAL 84 6.605 -9.027 -0.867 623 HG11 VAL 84 1HG1 VAL 84 3.894 -7.780 -0.409 624 HG12 VAL 84 2HG1 VAL 84 4.897 -7.604 -1.849 625 HG13 VAL 84 3HG1 VAL 84 5.441 -6.937 -0.309 626 HG21 VAL 84 3HG2 VAL 84 6.258 -10.180 1.255 627 HG22 VAL 84 1HG2 VAL 84 4.738 -9.314 1.486 628 HG23 VAL 84 2HG2 VAL 84 6.264 -8.430 1.476 629 H THR 85 HN THR 85 2.884 -9.886 -2.636 630 HA THR 85 HA THR 85 4.572 -9.659 -5.039 631 HB THR 85 HB THR 85 1.763 -10.757 -4.985 632 HG1 THR 85 1HG THR 85 2.639 -12.637 -4.515 633 HG21 THR 85 3HG2 THR 85 2.303 -11.491 -7.279 634 HG22 THR 85 1HG2 THR 85 3.875 -10.703 -7.144 635 HG23 THR 85 2HG2 THR 85 2.399 -9.738 -7.108 636 H VAL 86 HN VAL 86 4.142 -7.950 -6.326 637 HA VAL 86 HA VAL 86 2.054 -6.108 -5.396 638 HB VAL 86 HB VAL 86 4.793 -5.207 -6.263 639 HG11 VAL 86 1HG1 VAL 86 2.995 -3.555 -6.470 640 HG12 VAL 86 2HG1 VAL 86 4.185 -3.090 -5.254 641 HG13 VAL 86 3HG1 VAL 86 2.631 -3.752 -4.755 642 HG21 VAL 86 3HG2 VAL 86 3.805 -5.626 -3.444 643 HG22 VAL 86 1HG2 VAL 86 5.303 -4.804 -3.881 644 HG23 VAL 86 2HG2 VAL 86 5.100 -6.515 -4.249 645 H GLU 87 HN GLU 87 1.118 -4.822 -6.955 646 HA GLU 87 HA GLU 87 1.930 -5.290 -9.750 647 HB2 GLU 87 2HB GLU 87 -0.648 -4.276 -8.514 648 HB3 GLU 87 1HB GLU 87 -0.303 -4.127 -10.236 649 HG2 GLU 87 2HG GLU 87 -0.175 -6.497 -10.484 650 HG3 GLU 87 1HG GLU 87 -0.285 -6.734 -8.744 651 HA PRO 88 HA PRO 88 4.311 -2.854 -11.127 652 HB2 PRO 88 2HB PRO 88 3.273 -0.128 -10.651 653 HB3 PRO 88 1HB PRO 88 3.998 -0.820 -12.103 654 HG2 PRO 88 2HG PRO 88 1.180 -0.660 -11.380 655 HG3 PRO 88 1HG PRO 88 1.899 -1.166 -12.922 656 HD2 PRO 88 2HD PRO 88 0.586 -2.908 -11.309 657 HD3 PRO 88 1HD PRO 88 2.000 -3.413 -12.270 658 H ARG 89 HN ARG 89 6.110 -2.645 -10.076 659 HA ARG 89 HA ARG 89 5.897 -2.370 -7.171 660 HB2 ARG 89 2HB ARG 89 8.365 -3.264 -8.594 661 HB3 ARG 89 1HB ARG 89 7.768 -3.734 -7.008 662 HG2 ARG 89 2HG ARG 89 5.927 -4.962 -8.149 663 HG3 ARG 89 1HG ARG 89 6.720 -4.605 -9.685 664 HD2 ARG 89 2HD ARG 89 8.806 -5.605 -8.514 665 HD3 ARG 89 1HD ARG 89 7.622 -6.357 -7.451 666 HE ARG 89 HE ARG 89 7.031 -6.756 -10.232 667 HH11 ARG 89 1HH1 ARG 89 8.923 -7.925 -7.523 668 HH12 ARG 89 2HH1 ARG 89 9.097 -9.525 -8.179 669 HH21 ARG 89 1HH2 ARG 89 7.298 -8.844 -11.109 670 HH22 ARG 89 2HH2 ARG 89 8.210 -10.039 -10.235 671 H MET 90 HN MET 90 6.974 -0.754 -9.898 672 HA MET 90 HA MET 90 8.727 0.994 -8.329 673 HB2 MET 90 2HB MET 90 8.486 0.690 -11.330 674 HB3 MET 90 1HB MET 90 9.584 1.784 -10.502 675 HG2 MET 90 2HG MET 90 10.703 -0.139 -9.468 676 HG3 MET 90 1HG MET 90 9.628 -1.218 -10.356 677 HE1 MET 90 3HE MET 90 12.733 1.555 -12.337 678 HE2 MET 90 1HE MET 90 12.414 1.490 -10.604 679 HE3 MET 90 2HE MET 90 11.205 2.160 -11.701 680 H ALA 91 HN ALA 91 8.172 3.048 -7.997 681 HA ALA 91 HA ALA 91 5.672 3.990 -9.249 682 HB1 ALA 91 1HB ALA 91 5.329 3.459 -6.887 683 HB2 ALA 91 2HB ALA 91 5.192 5.195 -7.171 684 HB3 ALA 91 3HB ALA 91 6.657 4.532 -6.446 685 H ARG 92 HN ARG 92 5.639 6.095 -9.966 686 HA ARG 92 HA ARG 92 8.279 7.375 -10.028 687 HB2 ARG 92 2HB ARG 92 7.579 8.475 -12.076 688 HB3 ARG 92 1HB ARG 92 7.369 6.738 -12.231 689 HG2 ARG 92 2HG ARG 92 5.020 6.911 -12.031 690 HG3 ARG 92 1HG ARG 92 5.124 8.588 -11.487 691 HD2 ARG 92 2HD ARG 92 6.075 9.184 -13.704 692 HD3 ARG 92 1HD ARG 92 5.786 7.527 -14.231 693 HE ARG 92 HE ARG 92 3.408 7.931 -13.933 694 HH11 ARG 92 1HH1 ARG 92 5.501 10.742 -13.984 695 HH12 ARG 92 2HH1 ARG 92 4.233 11.837 -14.441 696 HH21 ARG 92 1HH2 ARG 92 1.742 9.371 -14.542 697 HH22 ARG 92 2HH2 ARG 92 2.090 11.067 -14.736 698 H VAL 93 HN VAL 93 8.546 9.403 -9.357 699 HA VAL 93 HA VAL 93 6.174 10.811 -8.321 700 HB VAL 93 HB VAL 93 7.750 10.081 -6.549 701 HG11 VAL 93 1HG1 VAL 93 9.707 11.948 -7.886 702 HG12 VAL 93 2HG1 VAL 93 9.826 10.188 -7.847 703 HG13 VAL 93 3HG1 VAL 93 9.947 11.113 -6.351 704 HG21 VAL 93 3HG2 VAL 93 7.950 12.251 -5.430 705 HG22 VAL 93 1HG2 VAL 93 6.375 12.050 -6.196 706 HG23 VAL 93 2HG2 VAL 93 7.603 13.065 -6.957 707 H GLN 94 HN GLN 94 5.860 12.882 -8.963 708 HA GLN 94 HA GLN 94 7.997 14.111 -10.578 709 HB2 GLN 94 2HB GLN 94 6.023 13.632 -11.937 710 HB3 GLN 94 1HB GLN 94 5.002 14.479 -10.786 711 HG2 GLN 94 2HG GLN 94 5.361 15.859 -12.712 712 HG3 GLN 94 1HG GLN 94 6.173 16.576 -11.329 713 HE21 GLN 94 1HE2 GLN 94 6.602 16.919 -14.180 714 HE22 GLN 94 2HE2 GLN 94 8.263 16.527 -14.453 715 H LEU 95 HN LEU 95 8.927 15.754 -9.610 716 HA LEU 95 HA LEU 95 7.394 17.276 -7.609 717 HB2 LEU 95 2HB LEU 95 10.329 16.555 -7.597 718 HB3 LEU 95 1HB LEU 95 9.577 17.665 -6.467 719 HG LEU 95 HG LEU 95 8.906 14.733 -6.734 720 HD11 LEU 95 1HD1 LEU 95 11.129 15.093 -5.802 721 HD12 LEU 95 2HD1 LEU 95 10.015 14.504 -4.569 722 HD13 LEU 95 3HD1 LEU 95 10.458 16.211 -4.613 723 HD21 LEU 95 3HD2 LEU 95 6.992 16.044 -6.006 724 HD22 LEU 95 1HD2 LEU 95 7.974 16.814 -4.756 725 HD23 LEU 95 2HD2 LEU 95 7.625 15.088 -4.668 726 H GLU 96 HN GLU 96 7.178 19.359 -8.075 727 HA GLU 96 HA GLU 96 9.214 20.610 -9.787 728 HB2 GLU 96 2HB GLU 96 6.221 20.903 -10.077 729 HB3 GLU 96 1HB GLU 96 7.402 21.908 -10.907 730 HG2 GLU 96 2HG GLU 96 8.323 19.796 -11.916 731 HG3 GLU 96 1HG GLU 96 6.920 18.961 -11.250 732 H GLU 97 HN GLU 97 9.704 22.710 -9.331 733 HA GLU 97 HA GLU 97 9.021 23.632 -6.702 734 HB2 GLU 97 2HB GLU 97 11.258 23.985 -7.770 735 HB3 GLU 97 1HB GLU 97 10.498 25.087 -8.907 736 HG2 GLU 97 2HG GLU 97 9.759 26.435 -6.897 737 HG3 GLU 97 1HG GLU 97 10.860 25.434 -5.948 738 H ARG 98 HN ARG 98 6.702 23.726 -7.031 739 HA ARG 98 HA ARG 98 5.617 25.624 -8.874 740 HB2 ARG 98 2HB ARG 98 3.504 24.986 -7.988 741 HB3 ARG 98 1HB ARG 98 4.459 23.529 -8.126 742 HG2 ARG 98 2HG ARG 98 4.992 23.815 -5.675 743 HG3 ARG 98 1HG ARG 98 3.745 25.062 -5.643 744 HD2 ARG 98 2HD ARG 98 3.331 22.190 -6.480 745 HD3 ARG 98 1HD ARG 98 2.901 22.864 -4.911 746 HE ARG 98 HE ARG 98 1.629 24.410 -6.848 747 HH11 ARG 98 1HH1 ARG 98 1.549 21.126 -5.610 748 HH12 ARG 98 2HH1 ARG 98 -0.110 20.859 -6.071 749 HH21 ARG 98 1HH2 ARG 98 -0.550 24.061 -7.449 750 HH22 ARG 98 2HH2 ARG 98 -1.310 22.538 -7.101 751 H GLN 99 HN GLN 99 4.415 27.505 -8.241 752 HA GLN 99 HA GLN 99 5.799 28.868 -6.059 753 HB2 GLN 99 2HB GLN 99 5.297 29.718 -8.578 754 HB3 GLN 99 1HB GLN 99 3.894 30.379 -7.751 755 HG2 GLN 99 2HG GLN 99 6.794 30.930 -7.179 756 HG3 GLN 99 1HG GLN 99 5.580 32.056 -7.778 757 HE21 GLN 99 1HE2 GLN 99 6.881 30.429 -5.023 758 HE22 GLN 99 2HE2 GLN 99 5.985 31.305 -3.823 759 H THR 100 HN THR 100 4.716 27.936 -4.344 760 HA THR 100 HA THR 100 1.930 28.805 -3.986 761 HB THR 100 HB THR 100 3.494 26.821 -2.309 762 HG1 THR 100 1HG THR 100 1.934 26.520 -4.635 763 HG21 THR 100 3HG2 THR 100 1.606 27.857 -1.144 764 HG22 THR 100 1HG2 THR 100 1.275 26.160 -1.485 765 HG23 THR 100 2HG2 THR 100 0.534 27.419 -2.474 766 H VAL 101 HN VAL 101 1.411 30.136 -2.251 767 HA VAL 101 HA VAL 101 3.259 32.013 -1.424 768 HB VAL 101 HB VAL 101 1.662 32.575 0.439 769 HG11 VAL 101 1HG1 VAL 101 -0.083 33.378 -1.065 770 HG12 VAL 101 2HG1 VAL 101 0.482 32.273 -2.319 771 HG13 VAL 101 3HG1 VAL 101 1.517 33.593 -1.778 772 HG21 VAL 101 3HG2 VAL 101 0.040 30.328 -0.760 773 HG22 VAL 101 1HG2 VAL 101 -0.510 31.460 0.476 774 HG23 VAL 101 2HG2 VAL 101 0.787 30.318 0.836 775 H SER 102 HN SER 102 4.988 31.866 -0.238 776 HA SER 102 HA SER 102 5.349 29.617 1.555 777 HB2 SER 102 2HB SER 102 7.274 31.854 0.862 778 HB3 SER 102 1HB SER 102 7.673 30.338 1.675 779 HG SER 102 HG SER 102 6.373 29.923 -0.681 780 H VAL 103 HN VAL 103 3.771 30.236 3.124 781 HA VAL 103 HA VAL 103 4.518 32.533 4.791 782 HB VAL 103 HB VAL 103 2.293 32.225 5.865 783 HG11 VAL 103 1HG1 VAL 103 2.259 32.584 2.871 784 HG12 VAL 103 2HG1 VAL 103 2.550 33.841 4.073 785 HG13 VAL 103 3HG1 VAL 103 0.968 33.069 3.969 786 HG21 VAL 103 3HG2 VAL 103 1.879 30.167 3.696 787 HG22 VAL 103 1HG2 VAL 103 0.624 30.785 4.771 788 HG23 VAL 103 2HG2 VAL 103 1.969 29.849 5.428 789 HA PRO 104 HA PRO 104 6.189 29.866 7.878 790 HB2 PRO 104 2HB PRO 104 5.288 31.806 9.893 791 HB3 PRO 104 1HB PRO 104 6.929 31.329 9.452 792 HG2 PRO 104 2HG PRO 104 5.936 33.749 8.828 793 HG3 PRO 104 1HG PRO 104 7.072 32.896 7.763 794 HD2 PRO 104 2HD PRO 104 4.096 33.157 7.548 795 HD3 PRO 104 1HD PRO 104 5.327 33.247 6.270 796 H VAL 105 HN VAL 105 4.762 28.132 7.850 797 HA VAL 105 HA VAL 105 2.454 28.286 9.643 798 HB VAL 105 HB VAL 105 1.953 25.951 8.740 799 HG11 VAL 105 1HG1 VAL 105 1.957 28.290 6.831 800 HG12 VAL 105 2HG1 VAL 105 0.726 27.937 8.045 801 HG13 VAL 105 3HG1 VAL 105 0.957 26.844 6.679 802 HG21 VAL 105 3HG2 VAL 105 4.011 26.785 6.693 803 HG22 VAL 105 1HG2 VAL 105 2.943 25.383 6.572 804 HG23 VAL 105 2HG2 VAL 105 4.171 25.454 7.837 805 H THR 106 HN THR 106 3.464 28.277 11.618 806 HA THR 106 HA THR 106 5.362 26.154 12.226 807 HB THR 106 HB THR 106 4.465 28.299 14.134 808 HG1 THR 106 1HG THR 106 6.329 28.460 11.983 809 HG21 THR 106 3HG2 THR 106 6.749 28.022 15.011 810 HG22 THR 106 1HG2 THR 106 7.051 26.774 13.802 811 HG23 THR 106 2HG2 THR 106 5.844 26.509 15.057 812 H VAL 107 HN VAL 107 2.077 26.877 12.601 813 HA VAL 107 HA VAL 107 1.690 25.203 14.931 814 HB VAL 107 HB VAL 107 -0.456 26.260 13.083 815 HG11 VAL 107 1HG1 VAL 107 -1.184 24.485 14.565 816 HG12 VAL 107 2HG1 VAL 107 -1.888 26.025 15.062 817 HG13 VAL 107 3HG1 VAL 107 -0.524 25.349 15.955 818 HG21 VAL 107 3HG2 VAL 107 -0.697 28.136 14.651 819 HG22 VAL 107 1HG2 VAL 107 0.885 28.136 13.871 820 HG23 VAL 107 2HG2 VAL 107 0.723 27.572 15.533 821 H GLU 108 HN GLU 108 1.904 23.100 14.713 822 HA GLU 108 HA GLU 108 1.488 21.822 12.129 823 HB2 GLU 108 2HB GLU 108 3.579 21.407 13.270 824 HB3 GLU 108 1HB GLU 108 2.732 20.897 14.721 825 HG2 GLU 108 2HG GLU 108 1.825 18.973 13.469 826 HG3 GLU 108 1HG GLU 108 2.792 19.469 12.078 827 H MET 109 HN MET 109 -0.349 20.788 11.675 828 HA MET 109 HA MET 109 -1.832 19.520 13.889 829 HB2 MET 109 2HB MET 109 -3.137 20.453 11.335 830 HB3 MET 109 1HB MET 109 -3.914 19.930 12.816 831 HG2 MET 109 2HG MET 109 -4.230 22.176 12.942 832 HG3 MET 109 1HG MET 109 -2.713 22.015 13.826 833 HE1 MET 109 3HE MET 109 -4.100 24.622 12.258 834 HE2 MET 109 1HE MET 109 -2.631 25.425 11.707 835 HE3 MET 109 2HE MET 109 -2.717 24.763 13.341 836 H ILE 110 HN ILE 110 -2.678 17.466 13.482 837 HA ILE 110 HA ILE 110 -2.146 16.334 10.829 838 HB ILE 110 HB ILE 110 -0.431 15.396 12.187 839 HG12 ILE 110 2HG1 ILE 110 -2.664 13.368 11.944 840 HG13 ILE 110 1HG1 ILE 110 -1.577 13.854 10.648 841 HG21 ILE 110 1HG2 ILE 110 -2.552 14.635 14.184 842 HG22 ILE 110 2HG2 ILE 110 -1.329 15.888 14.380 843 HG23 ILE 110 3HG2 ILE 110 -0.846 14.196 14.275 844 HD11 ILE 110 3HD1 ILE 110 0.315 12.956 11.895 845 HD12 ILE 110 1HD1 ILE 110 -0.915 11.728 11.593 846 HD13 ILE 110 2HD1 ILE 110 -0.776 12.463 13.190 847 H ASN 111 HN ASN 111 -4.213 16.569 10.149 848 HA ASN 111 HA ASN 111 -6.260 15.049 11.638 849 HB2 ASN 111 2HB ASN 111 -6.616 17.550 11.466 850 HB3 ASN 111 1HB ASN 111 -6.753 17.342 9.724 851 HD21 ASN 111 1HD2 ASN 111 -8.274 16.896 12.791 852 HD22 ASN 111 2HD2 ASN 111 -9.830 16.416 12.191 853 H LEU 112 HN LEU 112 -7.546 13.610 10.487 854 HA LEU 112 HA LEU 112 -7.025 13.387 7.603 855 HB2 LEU 112 2HB LEU 112 -6.896 10.966 7.733 856 HB3 LEU 112 1HB LEU 112 -5.636 11.702 8.697 857 HG LEU 112 HG LEU 112 -8.184 10.748 9.976 858 HD11 LEU 112 1HD1 LEU 112 -5.717 9.124 9.376 859 HD12 LEU 112 2HD1 LEU 112 -7.337 8.853 8.731 860 HD13 LEU 112 3HD1 LEU 112 -7.023 8.628 10.453 861 HD21 LEU 112 3HD2 LEU 112 -6.746 10.531 11.938 862 HD22 LEU 112 1HD2 LEU 112 -6.702 12.175 11.303 863 HD23 LEU 112 2HD2 LEU 112 -5.360 11.073 10.993 864 H GLU 113 HN GLU 113 -9.247 14.013 9.820 865 HA GLU 113 HA GLU 113 -11.363 12.309 8.760 866 HB2 GLU 113 2HB GLU 113 -11.178 12.702 11.209 867 HB3 GLU 113 1HB GLU 113 -11.481 14.410 10.937 868 HG2 GLU 113 2HG GLU 113 -13.458 13.156 11.724 869 HG3 GLU 113 1HG GLU 113 -13.701 13.966 10.178 870 H HIS 114 HN HIS 114 -9.885 14.976 7.718 871 HA HIS 114 HA HIS 114 -12.020 16.702 7.031 872 HB2 HIS 114 2HB HIS 114 -9.664 17.428 6.937 873 HB3 HIS 114 1HB HIS 114 -9.368 16.302 5.616 874 HD1 HIS 114 1HD HIS 114 -9.816 17.132 3.285 875 HD2 HIS 114 2HD HIS 114 -11.448 19.603 6.212 876 HE1 HIS 114 1HE HIS 114 -10.636 19.178 2.072 877 HE2 HIS 114 2HE HIS 114 -11.435 20.740 3.884 878 H HIS 115 HN HIS 115 -13.705 15.473 6.272 879 HA HIS 115 HA HIS 115 -13.299 14.287 3.609 880 HB2 HIS 115 2HB HIS 115 -15.098 13.382 5.857 881 HB3 HIS 115 1HB HIS 115 -15.321 12.849 4.193 882 HD1 HIS 115 1HD HIS 115 -13.628 11.918 7.244 883 HD2 HIS 115 2HD HIS 115 -12.849 11.546 3.166 884 HE1 HIS 115 1HE HIS 115 -11.887 10.111 7.040 885 HE2 HIS 115 2HE HIS 115 -11.546 9.798 4.557 886 H HIS 116 HN HIS 116 -14.702 14.845 2.022 887 HA HIS 116 HA HIS 116 -16.260 17.250 2.587 888 HB2 HIS 116 2HB HIS 116 -14.534 16.966 0.667 889 HB3 HIS 116 1HB HIS 116 -15.813 16.073 -0.148 890 HD1 HIS 116 1HD HIS 116 -17.428 17.426 -1.461 891 HD2 HIS 116 2HD HIS 116 -15.340 19.714 1.317 892 HE1 HIS 116 1HE HIS 116 -18.069 19.818 -1.927 893 HE2 HIS 116 2HE HIS 116 -16.623 21.189 -0.384 894 H HIS 117 HN HIS 117 -18.343 17.087 2.973 895 HA HIS 117 HA HIS 117 -20.007 15.248 1.463 896 HB2 HIS 117 2HB HIS 117 -21.039 14.270 3.495 897 HB3 HIS 117 1HB HIS 117 -19.339 13.842 3.348 898 HD1 HIS 117 1HD HIS 117 -21.770 15.380 5.623 899 HD2 HIS 117 2HD HIS 117 -17.633 15.311 5.196 900 HE1 HIS 117 1HE HIS 117 -20.848 16.238 7.799 901 HE2 HIS 117 2HE HIS 117 -18.361 16.423 7.413 902 H HIS 118 HN HIS 118 -21.923 16.173 1.026 903 HA HIS 118 HA HIS 118 -23.140 18.029 2.858 904 HB2 HIS 118 2HB HIS 118 -23.199 19.941 1.309 905 HB3 HIS 118 1HB HIS 118 -21.555 19.539 1.777 906 HD1 HIS 118 1HD HIS 118 -23.656 20.144 -1.124 907 HD2 HIS 118 2HD HIS 118 -20.120 18.094 -0.346 908 HE1 HIS 118 1HE HIS 118 -22.558 19.808 -3.363 909 HE2 HIS 118 2HE HIS 118 -20.337 18.728 -2.851 910 H HIS 119 HN HIS 119 -25.291 18.413 2.425 911 HA HIS 119 HA HIS 119 -26.465 17.723 -0.091 912 HB2 HIS 119 2HB HIS 119 -28.010 16.024 0.700 913 HB3 HIS 119 1HB HIS 119 -26.360 15.483 0.968 914 HD1 HIS 119 1HD HIS 119 -29.517 16.341 2.724 915 HD2 HIS 119 2HD HIS 119 -25.607 15.307 3.702 916 HE1 HIS 119 1HE HIS 119 -29.564 15.734 5.162 917 HE2 HIS 119 2HE HIS 119 -27.157 15.324 5.777 Start of MODEL 12 1 H1 MET 1 H1 MET 1 2.532 -23.830 16.403 2 H2 MET 1 H2 MET 1 4.190 -24.197 16.431 3 H3 MET 1 H3 MET 1 3.082 -25.219 17.201 4 HA MET 1 HA MET 1 3.922 -26.052 15.045 5 HB2 MET 1 2HB MET 1 0.967 -25.551 15.403 6 HB3 MET 1 1HB MET 1 1.619 -26.609 14.161 7 HG2 MET 1 2HG MET 1 1.990 -26.960 17.126 8 HG3 MET 1 1HG MET 1 0.844 -27.842 16.120 9 HE1 MET 1 2HE MET 1 2.916 -29.306 18.014 10 HE2 MET 1 3HE MET 1 3.485 -30.591 16.949 11 HE3 MET 1 1HE MET 1 1.777 -30.152 16.966 12 HA PRO 2 HA PRO 2 4.164 -22.671 12.055 13 HB2 PRO 2 2HB PRO 2 5.459 -24.801 10.466 14 HB3 PRO 2 1HB PRO 2 6.060 -23.196 10.890 15 HG2 PRO 2 2HG PRO 2 7.061 -25.401 12.031 16 HG3 PRO 2 1HG PRO 2 6.864 -23.892 12.943 17 HD2 PRO 2 2HD PRO 2 5.165 -26.359 12.972 18 HD3 PRO 2 1HD PRO 2 5.658 -25.311 14.318 19 H THR 3 HN THR 3 2.295 -22.299 11.028 20 HA THR 3 HA THR 3 0.580 -24.377 10.160 21 HB THR 3 HB THR 3 -0.758 -22.502 9.120 22 HG1 THR 3 1HG THR 3 1.234 -20.888 10.395 23 HG21 THR 3 3HG2 THR 3 -1.215 -23.303 11.369 24 HG22 THR 3 1HG2 THR 3 -1.418 -21.553 11.289 25 HG23 THR 3 2HG2 THR 3 0.032 -22.240 12.020 26 H PHE 4 HN PHE 4 0.241 -25.268 8.248 27 HA PHE 4 HA PHE 4 2.081 -24.670 6.097 28 HB2 PHE 4 2HB PHE 4 0.150 -26.922 6.534 29 HB3 PHE 4 1HB PHE 4 1.215 -26.785 5.154 30 HD1 PHE 4 1HD PHE 4 3.701 -26.848 5.517 31 HD2 PHE 4 2HD PHE 4 0.901 -27.818 8.579 32 HE1 PHE 4 1HE PHE 4 5.478 -27.990 6.779 33 HE2 PHE 4 2HE PHE 4 2.676 -28.959 9.843 34 HZ PHE 4 HZ PHE 4 4.969 -29.044 8.947 35 H ASP 5 HN ASP 5 0.595 -25.585 3.948 36 HA ASP 5 HA ASP 5 -0.823 -24.920 2.329 37 HB2 ASP 5 2HB ASP 5 -2.627 -25.517 3.836 38 HB3 ASP 5 1HB ASP 5 -2.513 -23.957 4.640 39 H HIS 6 HN HIS 6 0.249 -23.465 1.197 40 HA HIS 6 HA HIS 6 0.686 -20.789 2.152 41 HB2 HIS 6 2HB HIS 6 1.293 -22.233 -0.411 42 HB3 HIS 6 1HB HIS 6 1.457 -20.485 -0.311 43 HD1 HIS 6 1HD HIS 6 3.662 -19.685 0.363 44 HD2 HIS 6 2HD HIS 6 2.965 -23.569 1.684 45 HE1 HIS 6 1HE HIS 6 5.821 -20.440 1.430 46 HE2 HIS 6 2HE HIS 6 5.436 -22.862 2.014 47 H GLY 7 HN GLY 7 -1.163 -19.701 2.418 48 HA2 GLY 7 2HA GLY 7 -3.034 -19.572 0.147 49 HA3 GLY 7 1HA GLY 7 -3.402 -19.101 1.805 50 H ASN 8 HN ASN 8 -4.143 -17.266 0.150 51 HA ASN 8 HA ASN 8 -2.000 -15.258 0.288 52 HB2 ASN 8 2HB ASN 8 -4.103 -15.558 -1.853 53 HB3 ASN 8 1HB ASN 8 -3.088 -14.141 -1.675 54 HD21 ASN 8 1HD2 ASN 8 -0.986 -14.196 -2.295 55 HD22 ASN 8 2HD2 ASN 8 -0.287 -15.535 -3.154 56 H LEU 9 HN LEU 9 -2.698 -13.112 0.650 57 HA LEU 9 HA LEU 9 -5.399 -12.801 1.739 58 HB2 LEU 9 2HB LEU 9 -3.966 -13.476 3.621 59 HB3 LEU 9 1HB LEU 9 -2.876 -12.149 3.266 60 HG LEU 9 HG LEU 9 -4.737 -10.556 3.753 61 HD11 LEU 9 1HD1 LEU 9 -6.684 -11.412 4.985 62 HD12 LEU 9 2HD1 LEU 9 -6.149 -13.061 4.659 63 HD13 LEU 9 3HD1 LEU 9 -6.624 -12.007 3.327 64 HD21 LEU 9 3HD2 LEU 9 -4.626 -10.820 6.179 65 HD22 LEU 9 1HD2 LEU 9 -3.050 -11.081 5.432 66 HD23 LEU 9 2HD2 LEU 9 -4.007 -12.459 5.979 67 H SER 10 HN SER 10 -6.254 -10.984 0.992 68 HA SER 10 HA SER 10 -4.630 -8.976 -0.270 69 HB2 SER 10 2HB SER 10 -7.604 -8.967 0.313 70 HB3 SER 10 1HB SER 10 -6.759 -7.905 -0.813 71 HG SER 10 HG SER 10 -6.137 -9.883 -1.946 72 H LEU 11 HN LEU 11 -3.799 -7.221 0.697 73 HA LEU 11 HA LEU 11 -4.792 -6.421 3.321 74 HB2 LEU 11 2HB LEU 11 -2.524 -5.356 1.633 75 HB3 LEU 11 1HB LEU 11 -2.953 -4.737 3.216 76 HG LEU 11 HG LEU 11 -1.964 -7.527 2.615 77 HD11 LEU 11 1HD1 LEU 11 -0.239 -5.805 2.429 78 HD12 LEU 11 2HD1 LEU 11 0.026 -6.843 3.830 79 HD13 LEU 11 3HD1 LEU 11 -0.644 -5.225 4.047 80 HD21 LEU 11 3HD2 LEU 11 -1.921 -7.837 5.032 81 HD22 LEU 11 1HD2 LEU 11 -3.561 -7.491 4.479 82 HD23 LEU 11 2HD2 LEU 11 -2.609 -6.230 5.264 83 H GLY 12 HN GLY 12 -5.509 -5.903 0.158 84 HA2 GLY 12 2HA GLY 12 -7.296 -4.549 -0.582 85 HA3 GLY 12 1HA GLY 12 -7.015 -3.479 0.787 86 H GLU 13 HN GLU 13 -7.328 -2.074 -1.299 87 HA GLU 13 HA GLU 13 -4.815 -1.659 -2.695 88 HB2 GLU 13 2HB GLU 13 -6.118 0.270 -3.755 89 HB3 GLU 13 1HB GLU 13 -6.673 -1.358 -4.117 90 HG2 GLU 13 2HG GLU 13 -8.423 -1.118 -2.409 91 HG3 GLU 13 1HG GLU 13 -7.884 0.536 -2.115 92 H LEU 14 HN LEU 14 -3.263 -0.531 -1.789 93 HA LEU 14 HA LEU 14 -3.951 1.159 0.491 94 HB2 LEU 14 2HB LEU 14 -1.291 0.048 -0.389 95 HB3 LEU 14 1HB LEU 14 -1.562 1.004 1.056 96 HG LEU 14 HG LEU 14 -2.743 -1.713 0.502 97 HD11 LEU 14 1HD1 LEU 14 -1.285 -2.461 2.322 98 HD12 LEU 14 2HD1 LEU 14 -0.591 -0.843 2.426 99 HD13 LEU 14 3HD1 LEU 14 -0.353 -1.812 0.972 100 HD21 LEU 14 3HD2 LEU 14 -2.903 -0.020 2.991 101 HD22 LEU 14 1HD2 LEU 14 -3.626 -1.610 2.748 102 HD23 LEU 14 2HD2 LEU 14 -4.211 -0.225 1.825 103 H GLU 15 HN GLU 15 -3.639 3.242 0.551 104 HA GLU 15 HA GLU 15 -2.978 4.658 -1.859 105 HB2 GLU 15 2HB GLU 15 -3.523 5.732 0.922 106 HB3 GLU 15 1HB GLU 15 -3.533 6.659 -0.574 107 HG2 GLU 15 2HG GLU 15 -5.461 5.459 -1.367 108 HG3 GLU 15 1HG GLU 15 -5.408 4.380 0.024 109 H LEU 16 HN LEU 16 -1.136 5.827 -2.271 110 HA LEU 16 HA LEU 16 1.195 4.887 -0.850 111 HB2 LEU 16 2HB LEU 16 1.108 5.014 -3.317 112 HB3 LEU 16 1HB LEU 16 0.967 6.758 -3.211 113 HG LEU 16 HG LEU 16 3.225 6.743 -2.047 114 HD11 LEU 16 1HD1 LEU 16 4.634 4.784 -2.472 115 HD12 LEU 16 2HD1 LEU 16 3.228 3.923 -3.099 116 HD13 LEU 16 3HD1 LEU 16 3.280 4.411 -1.404 117 HD21 LEU 16 3HD2 LEU 16 2.927 7.420 -4.375 118 HD22 LEU 16 1HD2 LEU 16 3.092 5.742 -4.890 119 HD23 LEU 16 2HD2 LEU 16 4.457 6.574 -4.142 120 H THR 17 HN THR 17 2.499 5.998 0.472 121 HA THR 17 HA THR 17 1.862 8.824 0.988 122 HB THR 17 HB THR 17 3.339 6.891 2.789 123 HG1 THR 17 1HG THR 17 0.855 6.761 2.269 124 HG21 THR 17 3HG2 THR 17 2.211 9.653 3.292 125 HG22 THR 17 1HG2 THR 17 3.918 9.221 3.216 126 HG23 THR 17 2HG2 THR 17 2.911 8.602 4.524 127 H VAL 18 HN VAL 18 3.258 10.219 0.119 128 HA VAL 18 HA VAL 18 5.964 9.262 -0.521 129 HB VAL 18 HB VAL 18 4.495 11.636 -1.681 130 HG11 VAL 18 1HG1 VAL 18 6.927 11.880 -1.735 131 HG12 VAL 18 2HG1 VAL 18 6.272 11.654 -3.357 132 HG13 VAL 18 3HG1 VAL 18 7.069 10.313 -2.535 133 HG21 VAL 18 3HG2 VAL 18 4.262 10.264 -3.703 134 HG22 VAL 18 1HG2 VAL 18 3.411 9.559 -2.328 135 HG23 VAL 18 2HG2 VAL 18 4.960 8.892 -2.843 136 H LEU 19 HN LEU 19 7.688 10.118 0.404 137 HA LEU 19 HA LEU 19 7.385 12.511 2.075 138 HB2 LEU 19 2HB LEU 19 9.643 10.500 1.940 139 HB3 LEU 19 1HB LEU 19 9.518 11.829 3.079 140 HG LEU 19 HG LEU 19 7.600 9.496 2.943 141 HD11 LEU 19 1HD1 LEU 19 8.663 8.759 5.011 142 HD12 LEU 19 2HD1 LEU 19 9.826 10.080 4.889 143 HD13 LEU 19 3HD1 LEU 19 9.819 8.798 3.679 144 HD21 LEU 19 3HD2 LEU 19 6.774 10.365 5.072 145 HD22 LEU 19 1HD2 LEU 19 6.587 11.561 3.788 146 HD23 LEU 19 2HD2 LEU 19 7.894 11.722 4.961 147 H TYR 20 HN TYR 20 8.057 14.380 1.240 148 HA TYR 20 HA TYR 20 10.239 14.446 -0.701 149 HB2 TYR 20 2HB TYR 20 8.827 15.882 -2.224 150 HB3 TYR 20 1HB TYR 20 8.333 14.194 -2.148 151 HD1 TYR 20 2HD TYR 20 6.274 13.552 -0.964 152 HD2 TYR 20 1HD TYR 20 7.381 17.640 -1.401 153 HE1 TYR 20 2HE TYR 20 3.991 14.229 -0.356 154 HE2 TYR 20 1HE TYR 20 5.099 18.327 -0.790 155 HH TYR 20 HH TYR 20 2.899 16.280 0.668 156 H ASP 21 HN ASP 21 10.043 17.078 -1.476 157 HA ASP 21 HA ASP 21 10.040 18.533 1.079 158 HB2 ASP 21 2HB ASP 21 12.323 18.275 0.152 159 HB3 ASP 21 1HB ASP 21 11.798 19.105 -1.313 160 H GLU 22 HN GLU 22 8.205 19.618 1.123 161 HA GLU 22 HA GLU 22 6.945 20.591 -1.275 162 HB2 GLU 22 2HB GLU 22 5.220 21.451 0.312 163 HB3 GLU 22 1HB GLU 22 5.538 19.727 0.465 164 HG2 GLU 22 2HG GLU 22 6.901 20.116 2.420 165 HG3 GLU 22 1HG GLU 22 6.702 21.858 2.245 166 H GLU 23 HN GLU 23 9.370 21.814 0.665 167 HA GLU 23 HA GLU 23 8.585 24.573 0.618 168 HB2 GLU 23 2HB GLU 23 11.191 23.212 1.287 169 HB3 GLU 23 1HB GLU 23 10.896 24.935 1.475 170 HG2 GLU 23 2HG GLU 23 9.276 22.804 2.831 171 HG3 GLU 23 1HG GLU 23 10.672 23.593 3.556 172 H ARG 24 HN ARG 24 9.584 22.574 -1.791 173 HA ARG 24 HA ARG 24 10.649 24.846 -3.307 174 HB2 ARG 24 2HB ARG 24 12.480 23.264 -2.454 175 HB3 ARG 24 1HB ARG 24 11.832 22.093 -3.592 176 HG2 ARG 24 2HG ARG 24 13.684 23.169 -4.622 177 HG3 ARG 24 1HG ARG 24 12.220 23.755 -5.413 178 HD2 ARG 24 2HD ARG 24 12.964 25.387 -3.131 179 HD3 ARG 24 1HD ARG 24 14.252 25.299 -4.329 180 HE ARG 24 HE ARG 24 11.724 25.859 -5.536 181 HH11 ARG 24 1HH1 ARG 24 14.302 27.338 -3.677 182 HH12 ARG 24 2HH1 ARG 24 14.075 28.908 -4.387 183 HH21 ARG 24 1HH2 ARG 24 11.403 27.911 -6.442 184 HH22 ARG 24 2HH2 ARG 24 12.430 29.240 -5.957 185 H TYR 25 HN TYR 25 9.838 21.396 -3.734 186 HA TYR 25 HA TYR 25 8.489 22.133 -6.247 187 HB2 TYR 25 2HB TYR 25 9.535 19.429 -5.361 188 HB3 TYR 25 1HB TYR 25 8.768 19.774 -6.904 189 HD1 TYR 25 2HD TYR 25 9.949 21.561 -8.395 190 HD2 TYR 25 1HD TYR 25 11.838 19.522 -5.173 191 HE1 TYR 25 2HE TYR 25 12.150 22.056 -9.378 192 HE2 TYR 25 1HE TYR 25 14.043 20.007 -6.145 193 HH TYR 25 HH TYR 25 14.555 22.279 -8.525 194 H ASP 26 HN ASP 26 6.538 21.035 -6.799 195 HA ASP 26 HA ASP 26 5.022 20.035 -4.484 196 HB2 ASP 26 2HB ASP 26 4.009 21.697 -6.808 197 HB3 ASP 26 1HB ASP 26 2.985 20.978 -5.570 198 H ILE 27 HN ILE 27 3.206 18.582 -5.137 199 HA ILE 27 HA ILE 27 4.259 16.527 -6.825 200 HB ILE 27 HB ILE 27 1.540 16.704 -5.514 201 HG12 ILE 27 2HG1 ILE 27 4.069 15.325 -4.582 202 HG13 ILE 27 1HG1 ILE 27 3.418 16.816 -3.905 203 HG21 ILE 27 1HG2 ILE 27 1.485 14.272 -5.800 204 HG22 ILE 27 2HG2 ILE 27 3.020 14.342 -6.665 205 HG23 ILE 27 3HG2 ILE 27 1.587 15.109 -7.349 206 HD11 ILE 27 3HD1 ILE 27 2.887 14.901 -2.509 207 HD12 ILE 27 1HD1 ILE 27 2.068 14.123 -3.865 208 HD13 ILE 27 2HD1 ILE 27 1.422 15.615 -3.183 209 H VAL 28 HN VAL 28 4.052 16.396 -8.934 210 HA VAL 28 HA VAL 28 1.835 17.773 -10.283 211 HB VAL 28 HB VAL 28 4.362 16.573 -11.442 212 HG11 VAL 28 1HG1 VAL 28 2.208 18.241 -12.739 213 HG12 VAL 28 2HG1 VAL 28 2.549 16.543 -13.065 214 HG13 VAL 28 3HG1 VAL 28 3.730 17.779 -13.497 215 HG21 VAL 28 3HG2 VAL 28 3.596 19.456 -10.984 216 HG22 VAL 28 1HG2 VAL 28 5.073 18.888 -11.762 217 HG23 VAL 28 2HG2 VAL 28 4.788 18.547 -10.054 218 H GLU 29 HN GLU 29 3.523 14.658 -10.233 219 HA GLU 29 HA GLU 29 0.973 13.334 -10.811 220 HB2 GLU 29 2HB GLU 29 3.633 12.650 -12.080 221 HB3 GLU 29 1HB GLU 29 2.209 11.625 -12.155 222 HG2 GLU 29 2HG GLU 29 1.013 13.506 -13.276 223 HG3 GLU 29 1HG GLU 29 2.556 14.356 -13.354 224 H GLN 30 HN GLN 30 0.849 11.166 -9.962 225 HA GLN 30 HA GLN 30 2.916 10.256 -8.163 226 HB2 GLN 30 2HB GLN 30 1.651 12.071 -6.919 227 HB3 GLN 30 1HB GLN 30 0.229 11.048 -7.020 228 HG2 GLN 30 2HG GLN 30 1.494 9.286 -5.799 229 HG3 GLN 30 1HG GLN 30 2.795 10.453 -5.572 230 HE21 GLN 30 1HE2 GLN 30 0.804 12.656 -5.324 231 HE22 GLN 30 2HE2 GLN 30 0.168 12.506 -3.724 232 H THR 31 HN THR 31 2.502 8.105 -7.393 233 HA THR 31 HA THR 31 0.415 6.689 -8.866 234 HB THR 31 HB THR 31 2.552 5.568 -7.037 235 HG1 THR 31 1HG THR 31 3.219 6.715 -9.071 236 HG21 THR 31 3HG2 THR 31 0.671 4.052 -7.325 237 HG22 THR 31 1HG2 THR 31 2.071 3.444 -8.209 238 HG23 THR 31 2HG2 THR 31 0.756 4.242 -9.075 239 H GLU 32 HN GLU 32 -1.540 6.690 -7.923 240 HA GLU 32 HA GLU 32 -1.855 7.674 -5.291 241 HB2 GLU 32 2HB GLU 32 -3.893 6.428 -7.134 242 HB3 GLU 32 1HB GLU 32 -4.262 7.332 -5.669 243 HG2 GLU 32 2HG GLU 32 -3.216 9.317 -6.634 244 HG3 GLU 32 1HG GLU 32 -2.865 8.411 -8.105 245 H THR 33 HN THR 33 -2.752 4.478 -6.649 246 HA THR 33 HA THR 33 -2.501 3.427 -3.910 247 HB THR 33 HB THR 33 -4.425 1.862 -4.521 248 HG1 THR 33 1HG THR 33 -4.727 2.205 -6.679 249 HG21 THR 33 3HG2 THR 33 -6.120 3.490 -3.841 250 HG22 THR 33 1HG2 THR 33 -5.008 4.809 -4.205 251 HG23 THR 33 2HG2 THR 33 -4.642 3.682 -2.898 252 H VAL 34 HN VAL 34 -1.696 1.395 -3.671 253 HA VAL 34 HA VAL 34 -1.186 -0.194 -6.100 254 HB VAL 34 HB VAL 34 0.872 -1.101 -4.955 255 HG11 VAL 34 1HG1 VAL 34 1.033 0.487 -6.798 256 HG12 VAL 34 2HG1 VAL 34 2.307 0.764 -5.612 257 HG13 VAL 34 3HG1 VAL 34 0.904 1.831 -5.662 258 HG21 VAL 34 3HG2 VAL 34 1.931 0.289 -3.235 259 HG22 VAL 34 1HG2 VAL 34 0.388 -0.363 -2.683 260 HG23 VAL 34 2HG2 VAL 34 0.503 1.322 -3.193 261 H GLN 35 HN GLN 35 -1.126 -2.521 -5.709 262 HA GLN 35 HA GLN 35 -2.821 -3.218 -3.419 263 HB2 GLN 35 2HB GLN 35 -2.361 -4.690 -6.014 264 HB3 GLN 35 1HB GLN 35 -3.322 -5.311 -4.681 265 HG2 GLN 35 2HG GLN 35 -4.978 -4.436 -5.942 266 HG3 GLN 35 1HG GLN 35 -4.581 -3.009 -4.989 267 HE21 GLN 35 1HE2 GLN 35 -4.368 -4.531 -8.102 268 HE22 GLN 35 2HE2 GLN 35 -3.895 -3.124 -8.989 269 H VAL 36 HN VAL 36 -2.176 -4.588 -1.904 270 HA VAL 36 HA VAL 36 0.402 -5.974 -2.283 271 HB VAL 36 HB VAL 36 -0.585 -4.771 0.314 272 HG11 VAL 36 1HG1 VAL 36 0.771 -6.769 0.626 273 HG12 VAL 36 2HG1 VAL 36 1.648 -5.331 1.149 274 HG13 VAL 36 3HG1 VAL 36 2.036 -6.087 -0.397 275 HG21 VAL 36 3HG2 VAL 36 0.071 -3.030 -1.274 276 HG22 VAL 36 1HG2 VAL 36 1.628 -3.821 -1.502 277 HG23 VAL 36 2HG2 VAL 36 1.208 -3.138 0.070 278 H ASP 37 HN ASP 37 0.258 -8.048 -2.111 279 HA ASP 37 HA ASP 37 -1.960 -9.249 -0.585 280 HB2 ASP 37 2HB ASP 37 -2.245 -9.625 -2.977 281 HB3 ASP 37 1HB ASP 37 -0.595 -10.215 -3.109 282 H LEU 38 HN LEU 38 -1.437 -11.016 0.718 283 HA LEU 38 HA LEU 38 1.453 -11.423 1.099 284 HB2 LEU 38 2HB LEU 38 -0.797 -11.713 3.093 285 HB3 LEU 38 1HB LEU 38 0.886 -12.078 3.417 286 HG LEU 38 HG LEU 38 -0.238 -9.351 2.770 287 HD11 LEU 38 1HD1 LEU 38 0.837 -10.520 5.333 288 HD12 LEU 38 2HD1 LEU 38 -0.844 -10.105 4.992 289 HD13 LEU 38 3HD1 LEU 38 0.377 -8.835 5.089 290 HD21 LEU 38 3HD2 LEU 38 2.017 -9.601 1.895 291 HD22 LEU 38 1HD2 LEU 38 2.573 -10.202 3.456 292 HD23 LEU 38 2HD2 LEU 38 2.014 -8.537 3.301 293 H GLU 39 HN GLU 39 2.218 -13.355 0.667 294 HA GLU 39 HA GLU 39 0.319 -15.595 0.425 295 HB2 GLU 39 2HB GLU 39 1.308 -14.736 -1.725 296 HB3 GLU 39 1HB GLU 39 2.898 -15.150 -1.111 297 HG2 GLU 39 2HG GLU 39 0.825 -17.277 -1.243 298 HG3 GLU 39 1HG GLU 39 1.588 -16.738 -2.736 299 H GLY 40 HN GLY 40 0.830 -17.442 1.535 300 HA2 GLY 40 2HA GLY 40 3.106 -18.613 2.232 301 HA3 GLY 40 1HA GLY 40 3.107 -17.255 3.347 302 HA PRO 41 HA PRO 41 1.275 -20.822 5.613 303 HB2 PRO 41 2HB PRO 41 1.905 -18.912 7.806 304 HB3 PRO 41 1HB PRO 41 2.230 -20.644 7.692 305 HG2 PRO 41 2HG PRO 41 4.185 -18.861 7.381 306 HG3 PRO 41 1HG PRO 41 4.127 -20.338 6.399 307 HD2 PRO 41 2HD PRO 41 3.423 -17.533 5.660 308 HD3 PRO 41 1HD PRO 41 4.189 -18.800 4.680 309 H ARG 42 HN ARG 42 -0.842 -20.957 5.691 310 HA ARG 42 HA ARG 42 -2.678 -18.895 5.544 311 HB2 ARG 42 2HB ARG 42 -3.048 -21.376 5.147 312 HB3 ARG 42 1HB ARG 42 -3.213 -21.545 6.889 313 HG2 ARG 42 2HG ARG 42 -5.063 -19.833 6.753 314 HG3 ARG 42 1HG ARG 42 -4.984 -20.029 5.000 315 HD2 ARG 42 2HD ARG 42 -5.257 -22.519 5.426 316 HD3 ARG 42 1HD ARG 42 -5.693 -22.081 7.077 317 HE ARG 42 HE ARG 42 -7.210 -21.453 4.642 318 HH11 ARG 42 1HH1 ARG 42 -6.975 -21.465 8.134 319 HH12 ARG 42 2HH1 ARG 42 -8.683 -21.251 8.381 320 HH21 ARG 42 1HH2 ARG 42 -9.454 -21.138 4.960 321 HH22 ARG 42 2HH2 ARG 42 -10.092 -21.015 6.570 322 H GLY 43 HN GLY 43 -1.224 -20.377 8.368 323 HA2 GLY 43 2HA GLY 43 -3.012 -19.383 10.314 324 HA3 GLY 43 1HA GLY 43 -1.371 -19.934 10.605 325 H VAL 44 HN VAL 44 0.098 -18.118 9.119 326 HA VAL 44 HA VAL 44 0.296 -15.930 10.843 327 HB VAL 44 HB VAL 44 1.256 -16.146 7.979 328 HG11 VAL 44 1HG1 VAL 44 2.783 -14.326 8.508 329 HG12 VAL 44 2HG1 VAL 44 2.073 -14.183 10.116 330 HG13 VAL 44 3HG1 VAL 44 1.106 -13.815 8.689 331 HG21 VAL 44 3HG2 VAL 44 2.260 -17.839 9.355 332 HG22 VAL 44 1HG2 VAL 44 2.643 -16.658 10.606 333 HG23 VAL 44 2HG2 VAL 44 3.459 -16.580 9.043 334 H LEU 45 HN LEU 45 -1.284 -16.264 7.710 335 HA LEU 45 HA LEU 45 -2.105 -13.615 7.365 336 HB2 LEU 45 2HB LEU 45 -3.562 -16.092 6.449 337 HB3 LEU 45 1HB LEU 45 -3.682 -14.486 5.757 338 HG LEU 45 HG LEU 45 -1.220 -16.232 5.704 339 HD11 LEU 45 1HD1 LEU 45 -2.965 -17.093 4.263 340 HD12 LEU 45 2HD1 LEU 45 -1.679 -16.371 3.294 341 HD13 LEU 45 3HD1 LEU 45 -3.188 -15.494 3.548 342 HD21 LEU 45 3HD2 LEU 45 -0.677 -13.849 5.776 343 HD22 LEU 45 1HD2 LEU 45 -1.755 -13.561 4.410 344 HD23 LEU 45 2HD2 LEU 45 -0.308 -14.545 4.199 345 H THR 46 HN THR 46 -3.665 -16.338 8.987 346 HA THR 46 HA THR 46 -6.108 -14.975 9.537 347 HB THR 46 HB THR 46 -4.962 -17.355 11.020 348 HG1 THR 46 1HG THR 46 -5.326 -17.319 8.510 349 HG21 THR 46 3HG2 THR 46 -7.323 -17.916 11.401 350 HG22 THR 46 1HG2 THR 46 -7.804 -16.434 10.573 351 HG23 THR 46 2HG2 THR 46 -6.911 -16.346 12.090 352 H VAL 47 HN VAL 47 -3.175 -15.614 11.460 353 HA VAL 47 HA VAL 47 -4.091 -14.466 13.860 354 HB VAL 47 HB VAL 47 -1.257 -14.745 12.840 355 HG11 VAL 47 1HG1 VAL 47 -0.581 -14.519 15.203 356 HG12 VAL 47 2HG1 VAL 47 -2.249 -14.134 15.628 357 HG13 VAL 47 3HG1 VAL 47 -1.333 -13.052 14.578 358 HG21 VAL 47 3HG2 VAL 47 -2.444 -16.869 13.066 359 HG22 VAL 47 1HG2 VAL 47 -2.854 -16.470 14.735 360 HG23 VAL 47 2HG2 VAL 47 -1.168 -16.717 14.274 361 H PHE 48 HN PHE 48 -2.264 -13.068 11.160 362 HA PHE 48 HA PHE 48 -1.934 -10.499 12.281 363 HB2 PHE 48 2HB PHE 48 -0.643 -11.361 10.340 364 HB3 PHE 48 1HB PHE 48 -2.098 -11.269 9.355 365 HD1 PHE 48 2HD PHE 48 0.279 -9.225 11.324 366 HD2 PHE 48 1HD PHE 48 -2.683 -9.282 8.272 367 HE1 PHE 48 2HE PHE 48 0.830 -6.895 10.751 368 HE2 PHE 48 1HE PHE 48 -2.138 -6.955 7.691 369 HZ PHE 48 HZ PHE 48 -0.380 -5.760 8.931 370 H ARG 49 HN ARG 49 -4.576 -12.040 10.638 371 HA ARG 49 HA ARG 49 -6.022 -9.670 10.021 372 HB2 ARG 49 2HB ARG 49 -6.387 -12.583 9.768 373 HB3 ARG 49 1HB ARG 49 -7.864 -11.660 9.923 374 HG2 ARG 49 2HG ARG 49 -5.712 -11.225 7.865 375 HG3 ARG 49 1HG ARG 49 -7.276 -11.994 7.588 376 HD2 ARG 49 2HD ARG 49 -8.420 -9.927 8.133 377 HD3 ARG 49 1HD ARG 49 -6.883 -9.153 8.518 378 HE ARG 49 HE ARG 49 -6.321 -9.512 6.105 379 HH11 ARG 49 1HH1 ARG 49 -9.658 -9.353 7.143 380 HH12 ARG 49 2HH1 ARG 49 -10.229 -8.698 5.631 381 HH21 ARG 49 1HH2 ARG 49 -7.081 -8.688 4.093 382 HH22 ARG 49 2HH2 ARG 49 -8.776 -8.352 3.898 383 H PHE 50 HN PHE 50 -5.579 -11.457 12.889 384 HA PHE 50 HA PHE 50 -8.060 -10.695 14.126 385 HB2 PHE 50 2HB PHE 50 -5.519 -11.980 15.075 386 HB3 PHE 50 1HB PHE 50 -6.706 -11.398 16.226 387 HD1 PHE 50 2HD PHE 50 -9.220 -12.169 15.533 388 HD2 PHE 50 1HD PHE 50 -5.606 -14.207 14.589 389 HE1 PHE 50 2HE PHE 50 -10.476 -14.267 15.285 390 HE2 PHE 50 1HE PHE 50 -6.855 -16.313 14.337 391 HZ PHE 50 HZ PHE 50 -9.293 -16.341 14.685 392 H ALA 51 HN ALA 51 -4.989 -9.295 13.595 393 HA ALA 51 HA ALA 51 -5.347 -7.275 15.666 394 HB1 ALA 51 1HB ALA 51 -3.090 -6.553 15.075 395 HB2 ALA 51 2HB ALA 51 -3.054 -7.724 13.757 396 HB3 ALA 51 3HB ALA 51 -3.132 -8.280 15.429 397 H ARG 52 HN ARG 52 -4.935 -4.985 15.008 398 HA ARG 52 HA ARG 52 -6.531 -4.337 12.705 399 HB2 ARG 52 2HB ARG 52 -5.236 -2.698 14.866 400 HB3 ARG 52 1HB ARG 52 -6.087 -1.984 13.520 401 HG2 ARG 52 2HG ARG 52 -8.051 -3.496 14.269 402 HG3 ARG 52 1HG ARG 52 -7.160 -3.582 15.792 403 HD2 ARG 52 2HD ARG 52 -8.777 -1.786 15.898 404 HD3 ARG 52 1HD ARG 52 -7.144 -1.118 15.886 405 HE ARG 52 HE ARG 52 -7.999 -1.196 13.251 406 HH11 ARG 52 1HH1 ARG 52 -8.927 0.430 16.211 407 HH12 ARG 52 2HH1 ARG 52 -9.602 1.803 15.384 408 HH21 ARG 52 1HH2 ARG 52 -8.842 0.620 12.168 409 HH22 ARG 52 2HH2 ARG 52 -9.530 1.925 13.097 410 HA PRO 53 HA PRO 53 -3.248 -3.550 9.891 411 HB2 PRO 53 2HB PRO 53 -4.568 -1.108 8.969 412 HB3 PRO 53 1HB PRO 53 -4.259 -2.609 8.096 413 HG2 PRO 53 2HG PRO 53 -6.742 -1.872 8.869 414 HG3 PRO 53 1HG PRO 53 -6.240 -3.570 8.779 415 HD2 PRO 53 2HD PRO 53 -6.522 -1.796 11.164 416 HD3 PRO 53 1HD PRO 53 -6.908 -3.521 10.987 417 H SER 54 HN SER 54 -1.345 -2.770 10.424 418 HA SER 54 HA SER 54 -1.053 0.041 11.095 419 HB2 SER 54 2HB SER 54 -0.016 -2.366 12.542 420 HB3 SER 54 1HB SER 54 0.743 -0.799 12.684 421 HG SER 54 HG SER 54 -1.873 -0.474 13.004 422 H TYR 55 HN TYR 55 -0.711 -1.300 8.620 423 HA TYR 55 HA TYR 55 2.202 -1.363 8.313 424 HB2 TYR 55 2HB TYR 55 1.637 -2.508 6.088 425 HB3 TYR 55 1HB TYR 55 1.409 -3.433 7.564 426 HD1 TYR 55 1HD TYR 55 -0.367 -1.566 4.903 427 HD2 TYR 55 2HD TYR 55 -0.725 -4.266 8.168 428 HE1 TYR 55 1HE TYR 55 -2.680 -2.056 4.239 429 HE2 TYR 55 2HE TYR 55 -3.044 -4.756 7.516 430 HH TYR 55 HH TYR 55 -4.356 -3.790 4.510 431 H GLU 56 HN GLU 56 3.216 0.057 7.054 432 HA GLU 56 HA GLU 56 1.555 1.983 5.569 433 HB2 GLU 56 2HB GLU 56 4.127 2.421 7.087 434 HB3 GLU 56 1HB GLU 56 3.495 3.585 5.937 435 HG2 GLU 56 2HG GLU 56 2.807 4.387 7.999 436 HG3 GLU 56 1HG GLU 56 1.378 3.579 7.361 437 H VAL 57 HN VAL 57 2.161 2.549 3.532 438 HA VAL 57 HA VAL 57 4.652 1.398 2.475 439 HB VAL 57 HB VAL 57 3.555 1.479 0.207 440 HG11 VAL 57 1HG1 VAL 57 3.795 -0.620 1.404 441 HG12 VAL 57 2HG1 VAL 57 2.271 -0.587 0.516 442 HG13 VAL 57 3HG1 VAL 57 2.283 -0.325 2.261 443 HG21 VAL 57 3HG2 VAL 57 1.745 3.033 0.689 444 HG22 VAL 57 1HG2 VAL 57 1.044 1.892 1.838 445 HG23 VAL 57 2HG2 VAL 57 1.092 1.497 0.119 446 H PHE 58 HN PHE 58 6.102 2.860 1.757 447 HA PHE 58 HA PHE 58 5.182 5.581 1.235 448 HB2 PHE 58 2HB PHE 58 6.831 6.519 2.837 449 HB3 PHE 58 1HB PHE 58 5.540 5.612 3.613 450 HD1 PHE 58 1HD PHE 58 6.004 3.379 4.573 451 HD2 PHE 58 2HD PHE 58 9.101 5.850 3.011 452 HE1 PHE 58 1HE PHE 58 7.675 2.042 5.784 453 HE2 PHE 58 2HE PHE 58 10.779 4.508 4.215 454 HZ PHE 58 HZ PHE 58 10.066 2.604 5.604 455 H VAL 59 HN VAL 59 6.652 6.922 0.211 456 HA VAL 59 HA VAL 59 9.105 5.643 -0.811 457 HB VAL 59 HB VAL 59 7.430 7.661 -2.301 458 HG11 VAL 59 1HG1 VAL 59 9.774 6.001 -3.191 459 HG12 VAL 59 2HG1 VAL 59 9.792 7.732 -2.856 460 HG13 VAL 59 3HG1 VAL 59 8.845 7.105 -4.204 461 HG21 VAL 59 3HG2 VAL 59 6.206 5.564 -2.160 462 HG22 VAL 59 1HG2 VAL 59 7.621 4.686 -2.745 463 HG23 VAL 59 2HG2 VAL 59 6.793 5.828 -3.802 464 H ASP 60 HN ASP 60 10.924 6.866 -0.658 465 HA ASP 60 HA ASP 60 10.603 9.492 0.632 466 HB2 ASP 60 2HB ASP 60 11.628 7.763 2.095 467 HB3 ASP 60 1HB ASP 60 12.924 7.566 0.919 468 H LEU 61 HN LEU 61 10.912 11.011 -0.868 469 HA LEU 61 HA LEU 61 13.361 10.872 -2.460 470 HB2 LEU 61 2HB LEU 61 10.601 11.407 -3.546 471 HB3 LEU 61 1HB LEU 61 12.071 11.808 -4.413 472 HG LEU 61 HG LEU 61 11.298 9.012 -3.563 473 HD11 LEU 61 1HD1 LEU 61 9.769 9.877 -5.252 474 HD12 LEU 61 2HD1 LEU 61 10.823 8.634 -5.926 475 HD13 LEU 61 3HD1 LEU 61 11.137 10.335 -6.268 476 HD21 LEU 61 3HD2 LEU 61 13.510 10.042 -5.338 477 HD22 LEU 61 1HD2 LEU 61 13.096 8.343 -5.100 478 HD23 LEU 61 2HD2 LEU 61 13.699 9.302 -3.747 479 H THR 62 HN THR 62 14.169 12.396 -0.982 480 HA THR 62 HA THR 62 12.967 15.069 -1.081 481 HB THR 62 HB THR 62 14.753 15.631 0.612 482 HG1 THR 62 1HG THR 62 15.221 13.096 1.420 483 HG21 THR 62 3HG2 THR 62 13.650 14.469 2.471 484 HG22 THR 62 1HG2 THR 62 12.892 13.360 1.327 485 HG23 THR 62 2HG2 THR 62 12.469 15.072 1.306 486 H GLU 63 HN GLU 63 15.365 13.157 -2.496 487 HA GLU 63 HA GLU 63 16.953 15.438 -3.404 488 HB2 GLU 63 2HB GLU 63 17.353 12.475 -3.783 489 HB3 GLU 63 1HB GLU 63 18.449 13.712 -4.345 490 HG2 GLU 63 2HG GLU 63 18.816 14.399 -2.057 491 HG3 GLU 63 1HG GLU 63 17.745 13.125 -1.509 492 H ALA 64 HN ALA 64 14.202 13.940 -4.330 493 HA ALA 64 HA ALA 64 14.671 13.536 -7.121 494 HB1 ALA 64 1HB ALA 64 12.255 13.232 -7.282 495 HB2 ALA 64 2HB ALA 64 12.063 13.832 -5.635 496 HB3 ALA 64 3HB ALA 64 12.915 12.316 -5.927 497 H GLY 65 HN GLY 65 14.919 15.080 -8.578 498 HA2 GLY 65 2HA GLY 65 13.858 17.753 -8.029 499 HA3 GLY 65 1HA GLY 65 15.071 17.349 -9.237 500 H GLU 66 HN GLU 66 14.300 17.824 -11.165 501 HA GLU 66 HA GLU 66 11.483 18.004 -11.644 502 HB2 GLU 66 2HB GLU 66 12.140 18.771 -13.885 503 HB3 GLU 66 1HB GLU 66 12.970 19.653 -12.617 504 HG2 GLU 66 2HG GLU 66 14.219 17.335 -14.064 505 HG3 GLU 66 1HG GLU 66 14.332 18.995 -14.643 506 H GLY 67 HN GLY 67 10.382 16.998 -13.424 507 HA2 GLY 67 2HA GLY 67 9.885 15.253 -14.863 508 HA3 GLY 67 1HA GLY 67 11.508 14.621 -14.614 509 H SER 68 HN SER 68 9.171 13.037 -14.696 510 HA SER 68 HA SER 68 8.370 12.426 -12.017 511 HB2 SER 68 2HB SER 68 6.933 12.010 -14.006 512 HB3 SER 68 1HB SER 68 8.031 10.722 -14.492 513 HG SER 68 HG SER 68 6.262 10.859 -12.317 514 H HIS 69 HN HIS 69 9.105 10.924 -10.698 515 HA HIS 69 HA HIS 69 11.591 9.552 -11.495 516 HB2 HIS 69 2HB HIS 69 10.812 10.948 -8.959 517 HB3 HIS 69 1HB HIS 69 11.979 9.630 -8.899 518 HD1 HIS 69 1HD HIS 69 11.516 13.034 -10.528 519 HD2 HIS 69 2HD HIS 69 14.518 10.308 -9.598 520 HE1 HIS 69 1HE HIS 69 13.681 14.210 -11.022 521 HE2 HIS 69 2HE HIS 69 15.471 12.481 -10.618 522 H THR 70 HN THR 70 11.479 7.439 -11.543 523 HA THR 70 HA THR 70 9.351 6.095 -10.023 524 HB THR 70 HB THR 70 11.013 4.762 -12.150 525 HG1 THR 70 1HG THR 70 10.148 6.794 -12.984 526 HG21 THR 70 3HG2 THR 70 8.128 4.458 -11.302 527 HG22 THR 70 1HG2 THR 70 9.458 3.416 -10.796 528 HG23 THR 70 2HG2 THR 70 8.974 3.465 -12.489 529 H VAL 71 HN VAL 71 10.003 5.228 -8.141 530 HA VAL 71 HA VAL 71 12.620 3.895 -8.062 531 HB VAL 71 HB VAL 71 12.963 4.728 -5.734 532 HG11 VAL 71 1HG1 VAL 71 14.161 5.747 -7.587 533 HG12 VAL 71 2HG1 VAL 71 13.749 6.957 -6.372 534 HG13 VAL 71 3HG1 VAL 71 12.817 6.856 -7.865 535 HG21 VAL 71 3HG2 VAL 71 10.716 6.615 -6.428 536 HG22 VAL 71 1HG2 VAL 71 11.729 6.698 -4.986 537 HG23 VAL 71 2HG2 VAL 71 10.652 5.323 -5.231 538 H ASP 72 HN ASP 72 12.805 2.518 -6.054 539 HA ASP 72 HA ASP 72 10.607 0.704 -6.011 540 HB2 ASP 72 2HB ASP 72 13.176 0.278 -5.680 541 HB3 ASP 72 1HB ASP 72 12.836 0.635 -3.992 542 H VAL 73 HN VAL 73 9.194 0.229 -4.329 543 HA VAL 73 HA VAL 73 8.750 2.467 -2.490 544 HB VAL 73 HB VAL 73 6.891 0.196 -3.236 545 HG11 VAL 73 1HG1 VAL 73 6.429 1.016 -1.002 546 HG12 VAL 73 2HG1 VAL 73 5.153 1.507 -2.116 547 HG13 VAL 73 3HG1 VAL 73 6.370 2.675 -1.599 548 HG21 VAL 73 3HG2 VAL 73 6.928 3.080 -4.111 549 HG22 VAL 73 1HG2 VAL 73 5.644 1.924 -4.471 550 HG23 VAL 73 2HG2 VAL 73 7.266 1.669 -5.112 551 H GLU 74 HN GLU 74 9.131 2.313 -0.402 552 HA GLU 74 HA GLU 74 9.905 -0.259 0.736 553 HB2 GLU 74 2HB GLU 74 10.818 2.372 1.082 554 HB3 GLU 74 1HB GLU 74 9.988 1.975 2.580 555 HG2 GLU 74 2HG GLU 74 12.186 0.347 1.325 556 HG3 GLU 74 1HG GLU 74 12.386 1.475 2.666 557 H HIS 75 HN HIS 75 8.976 -1.030 2.721 558 HA HIS 75 HA HIS 75 6.416 0.114 3.487 559 HB2 HIS 75 2HB HIS 75 5.468 -2.357 3.244 560 HB3 HIS 75 1HB HIS 75 5.373 -1.189 1.934 561 HD1 HIS 75 1HD HIS 75 7.178 -4.326 2.974 562 HD2 HIS 75 2HD HIS 75 6.882 -1.783 -0.309 563 HE1 HIS 75 1HE HIS 75 8.281 -5.541 1.063 564 HE2 HIS 75 2HE HIS 75 8.296 -3.879 -0.840 565 H ARG 76 HN ARG 76 5.577 -0.643 5.428 566 HA ARG 76 HA ARG 76 7.204 -2.505 6.992 567 HB2 ARG 76 2HB ARG 76 7.820 0.028 7.340 568 HB3 ARG 76 1HB ARG 76 6.330 0.061 8.275 569 HG2 ARG 76 2HG ARG 76 7.243 -1.851 9.615 570 HG3 ARG 76 1HG ARG 76 8.777 -1.614 8.776 571 HD2 ARG 76 2HD ARG 76 9.007 -0.426 10.775 572 HD3 ARG 76 1HD ARG 76 8.637 0.804 9.570 573 HE ARG 76 HE ARG 76 6.197 0.219 10.540 574 HH11 ARG 76 1HH1 ARG 76 9.237 1.027 12.081 575 HH12 ARG 76 2HH1 ARG 76 8.493 1.676 13.514 576 HH21 ARG 76 1HH2 ARG 76 5.205 1.069 12.411 577 HH22 ARG 76 2HH2 ARG 76 6.187 1.717 13.696 578 H GLY 77 HN GLY 77 6.027 -3.086 9.061 579 HA2 GLY 77 2HA GLY 77 3.901 -3.091 10.251 580 HA3 GLY 77 1HA GLY 77 3.102 -2.859 8.698 581 H PHE 78 HN PHE 78 3.934 -4.628 7.055 582 HA PHE 78 HA PHE 78 3.698 -7.234 8.372 583 HB2 PHE 78 2HB PHE 78 3.315 -8.073 6.013 584 HB3 PHE 78 1HB PHE 78 2.067 -7.006 6.642 585 HD1 PHE 78 1HD PHE 78 1.915 -4.682 5.836 586 HD2 PHE 78 2HD PHE 78 4.612 -7.476 4.107 587 HE1 PHE 78 1HE PHE 78 2.140 -3.234 3.859 588 HE2 PHE 78 2HE PHE 78 4.845 -6.033 2.130 589 HZ PHE 78 HZ PHE 78 3.611 -3.911 2.001 590 HA PRO 79 HA PRO 79 7.978 -7.775 7.442 591 HB2 PRO 79 2HB PRO 79 8.300 -10.230 8.434 592 HB3 PRO 79 1HB PRO 79 7.885 -8.866 9.480 593 HG2 PRO 79 2HG PRO 79 6.181 -11.100 8.519 594 HG3 PRO 79 1HG PRO 79 6.086 -10.185 10.031 595 HD2 PRO 79 2HD PRO 79 4.533 -9.801 7.682 596 HD3 PRO 79 1HD PRO 79 4.558 -8.777 9.131 597 H GLY 80 HN GLY 80 9.402 -8.772 6.029 598 HA2 GLY 80 2HA GLY 80 8.251 -10.225 3.804 599 HA3 GLY 80 1HA GLY 80 9.932 -9.742 3.985 600 H ASP 81 HN ASP 81 8.190 -11.511 6.433 601 HA ASP 81 HA ASP 81 10.131 -13.601 6.502 602 HB2 ASP 81 2HB ASP 81 8.748 -12.730 8.469 603 HB3 ASP 81 1HB ASP 81 7.416 -13.659 7.800 604 H LEU 82 HN LEU 82 7.037 -13.104 5.074 605 HA LEU 82 HA LEU 82 7.160 -15.768 3.848 606 HB2 LEU 82 2HB LEU 82 4.661 -15.268 3.388 607 HB3 LEU 82 1HB LEU 82 5.145 -15.796 4.984 608 HG LEU 82 HG LEU 82 5.120 -13.367 5.688 609 HD11 LEU 82 1HD1 LEU 82 3.782 -11.824 4.338 610 HD12 LEU 82 2HD1 LEU 82 3.712 -13.023 3.047 611 HD13 LEU 82 3HD1 LEU 82 5.259 -12.313 3.508 612 HD21 LEU 82 3HD2 LEU 82 3.338 -14.886 6.289 613 HD22 LEU 82 1HD2 LEU 82 2.547 -14.608 4.739 614 HD23 LEU 82 2HD2 LEU 82 2.678 -13.295 5.908 615 H ALA 83 HN ALA 83 5.319 -15.233 1.779 616 HA ALA 83 HA ALA 83 7.060 -13.673 0.046 617 HB1 ALA 83 1HB ALA 83 6.325 -15.876 -0.721 618 HB2 ALA 83 2HB ALA 83 5.743 -14.596 -1.787 619 HB3 ALA 83 3HB ALA 83 4.644 -15.346 -0.630 620 H VAL 84 HN VAL 84 6.686 -11.559 -0.069 621 HA VAL 84 HA VAL 84 3.962 -10.551 0.279 622 HB VAL 84 HB VAL 84 6.562 -9.031 -0.059 623 HG11 VAL 84 1HG1 VAL 84 4.630 -7.739 -0.791 624 HG12 VAL 84 2HG1 VAL 84 5.299 -7.089 0.705 625 HG13 VAL 84 3HG1 VAL 84 3.824 -8.055 0.747 626 HG21 VAL 84 3HG2 VAL 84 4.960 -9.599 2.433 627 HG22 VAL 84 1HG2 VAL 84 6.404 -8.588 2.338 628 HG23 VAL 84 2HG2 VAL 84 6.515 -10.318 2.013 629 H THR 85 HN THR 85 2.724 -9.986 -1.407 630 HA THR 85 HA THR 85 4.021 -9.895 -4.048 631 HB THR 85 HB THR 85 1.117 -10.453 -3.465 632 HG1 THR 85 1HG THR 85 1.990 -12.312 -2.812 633 HG21 THR 85 3HG2 THR 85 1.043 -11.225 -5.785 634 HG22 THR 85 1HG2 THR 85 2.745 -10.804 -5.980 635 HG23 THR 85 2HG2 THR 85 1.551 -9.540 -5.690 636 H VAL 86 HN VAL 86 3.773 -8.110 -5.230 637 HA VAL 86 HA VAL 86 2.063 -5.978 -4.181 638 HB VAL 86 HB VAL 86 4.924 -5.560 -5.034 639 HG11 VAL 86 1HG1 VAL 86 3.520 -3.625 -5.458 640 HG12 VAL 86 2HG1 VAL 86 4.634 -3.294 -4.133 641 HG13 VAL 86 3HG1 VAL 86 2.943 -3.655 -3.789 642 HG21 VAL 86 3HG2 VAL 86 5.409 -5.077 -2.678 643 HG22 VAL 86 1HG2 VAL 86 4.896 -6.747 -2.925 644 HG23 VAL 86 2HG2 VAL 86 3.770 -5.569 -2.250 645 H GLU 87 HN GLU 87 1.086 -4.774 -5.691 646 HA GLU 87 HA GLU 87 1.886 -5.177 -8.487 647 HB2 GLU 87 2HB GLU 87 -0.706 -4.143 -7.298 648 HB3 GLU 87 1HB GLU 87 -0.339 -4.138 -9.021 649 HG2 GLU 87 2HG GLU 87 0.025 -6.627 -8.828 650 HG3 GLU 87 1HG GLU 87 -0.675 -6.513 -7.216 651 HA PRO 88 HA PRO 88 4.181 -2.681 -9.895 652 HB2 PRO 88 2HB PRO 88 3.022 -0.010 -9.330 653 HB3 PRO 88 1HB PRO 88 3.846 -0.595 -10.777 654 HG2 PRO 88 2HG PRO 88 1.012 -0.582 -10.238 655 HG3 PRO 88 1HG PRO 88 1.842 -1.140 -11.701 656 HD2 PRO 88 2HD PRO 88 0.477 -2.825 -10.024 657 HD3 PRO 88 1HD PRO 88 1.888 -3.349 -10.976 658 H ARG 89 HN ARG 89 5.991 -2.463 -8.923 659 HA ARG 89 HA ARG 89 5.951 -2.053 -6.013 660 HB2 ARG 89 2HB ARG 89 8.133 -3.355 -7.616 661 HB3 ARG 89 1HB ARG 89 7.812 -3.504 -5.891 662 HG2 ARG 89 2HG ARG 89 5.739 -4.698 -6.396 663 HG3 ARG 89 1HG ARG 89 6.101 -4.577 -8.119 664 HD2 ARG 89 2HD ARG 89 8.306 -5.688 -7.548 665 HD3 ARG 89 1HD ARG 89 7.574 -6.099 -5.999 666 HE ARG 89 HE ARG 89 5.779 -6.936 -7.917 667 HH11 ARG 89 1HH1 ARG 89 9.134 -7.596 -7.172 668 HH12 ARG 89 2HH1 ARG 89 9.063 -9.247 -7.717 669 HH21 ARG 89 1HH2 ARG 89 5.680 -9.084 -8.671 670 HH22 ARG 89 2HH2 ARG 89 7.092 -10.097 -8.585 671 H MET 90 HN MET 90 7.347 -1.078 -8.986 672 HA MET 90 HA MET 90 8.944 0.977 -7.624 673 HB2 MET 90 2HB MET 90 9.838 -0.643 -9.498 674 HB3 MET 90 1HB MET 90 8.995 0.453 -10.579 675 HG2 MET 90 2HG MET 90 10.345 2.307 -9.754 676 HG3 MET 90 1HG MET 90 11.181 1.214 -8.655 677 HE1 MET 90 3HE MET 90 12.806 3.055 -10.601 678 HE2 MET 90 1HE MET 90 13.977 1.923 -11.277 679 HE3 MET 90 2HE MET 90 13.571 1.853 -9.562 680 H ALA 91 HN ALA 91 8.098 2.984 -7.561 681 HA ALA 91 HA ALA 91 5.737 3.468 -9.261 682 HB1 ALA 91 1HB ALA 91 6.130 4.375 -6.413 683 HB2 ALA 91 2HB ALA 91 5.152 2.996 -6.916 684 HB3 ALA 91 3HB ALA 91 4.696 4.627 -7.408 685 H ARG 92 HN ARG 92 5.356 5.544 -9.986 686 HA ARG 92 HA ARG 92 7.744 7.237 -9.920 687 HB2 ARG 92 2HB ARG 92 7.104 8.092 -12.070 688 HB3 ARG 92 1HB ARG 92 7.076 6.338 -12.133 689 HG2 ARG 92 2HG ARG 92 4.673 6.321 -11.991 690 HG3 ARG 92 1HG ARG 92 4.643 8.071 -11.765 691 HD2 ARG 92 2HD ARG 92 5.861 8.186 -14.020 692 HD3 ARG 92 1HD ARG 92 5.368 6.505 -14.219 693 HE ARG 92 HE ARG 92 3.095 7.211 -14.258 694 HH11 ARG 92 1HH1 ARG 92 5.435 9.817 -14.253 695 HH12 ARG 92 2HH1 ARG 92 4.299 11.018 -14.811 696 HH21 ARG 92 1HH2 ARG 92 1.602 8.809 -15.006 697 HH22 ARG 92 2HH2 ARG 92 2.135 10.451 -15.217 698 H VAL 93 HN VAL 93 7.673 9.229 -9.197 699 HA VAL 93 HA VAL 93 5.101 10.619 -9.007 700 HB VAL 93 HB VAL 93 5.556 9.791 -6.745 701 HG11 VAL 93 1HG1 VAL 93 7.948 9.512 -6.843 702 HG12 VAL 93 2HG1 VAL 93 7.530 10.562 -5.488 703 HG13 VAL 93 3HG1 VAL 93 8.177 11.255 -6.975 704 HG21 VAL 93 3HG2 VAL 93 6.027 12.758 -7.007 705 HG22 VAL 93 1HG2 VAL 93 5.538 11.931 -5.528 706 HG23 VAL 93 2HG2 VAL 93 4.465 11.945 -6.927 707 H GLN 94 HN GLN 94 5.238 12.794 -9.537 708 HA GLN 94 HA GLN 94 7.906 13.644 -10.453 709 HB2 GLN 94 2HB GLN 94 6.321 13.334 -12.290 710 HB3 GLN 94 1HB GLN 94 5.189 14.439 -11.518 711 HG2 GLN 94 2HG GLN 94 6.641 16.289 -11.853 712 HG3 GLN 94 1HG GLN 94 7.957 15.244 -12.375 713 HE21 GLN 94 1HE2 GLN 94 6.792 17.471 -13.756 714 HE22 GLN 94 2HE2 GLN 94 6.196 16.856 -15.252 715 H LEU 95 HN LEU 95 8.793 15.220 -9.355 716 HA LEU 95 HA LEU 95 7.062 17.062 -7.865 717 HB2 LEU 95 2HB LEU 95 9.996 16.414 -7.554 718 HB3 LEU 95 1HB LEU 95 9.159 17.656 -6.643 719 HG LEU 95 HG LEU 95 8.542 14.700 -6.535 720 HD11 LEU 95 1HD1 LEU 95 10.695 15.268 -5.508 721 HD12 LEU 95 2HD1 LEU 95 9.503 14.786 -4.301 722 HD13 LEU 95 3HD1 LEU 95 9.895 16.491 -4.519 723 HD21 LEU 95 3HD2 LEU 95 6.560 16.067 -6.145 724 HD22 LEU 95 1HD2 LEU 95 7.436 17.015 -4.944 725 HD23 LEU 95 2HD2 LEU 95 7.097 15.310 -4.645 726 H GLU 96 HN GLU 96 6.811 19.012 -8.622 727 HA GLU 96 HA GLU 96 8.998 20.389 -9.926 728 HB2 GLU 96 2HB GLU 96 7.831 19.275 -11.808 729 HB3 GLU 96 1HB GLU 96 6.331 20.050 -11.320 730 HG2 GLU 96 2HG GLU 96 7.413 21.165 -13.219 731 HG3 GLU 96 1HG GLU 96 7.230 22.223 -11.820 732 H GLU 97 HN GLU 97 8.787 22.629 -9.778 733 HA GLU 97 HA GLU 97 7.491 23.500 -7.455 734 HB2 GLU 97 2HB GLU 97 9.505 24.539 -8.447 735 HB3 GLU 97 1HB GLU 97 8.513 25.165 -9.757 736 HG2 GLU 97 2HG GLU 97 7.415 26.673 -8.365 737 HG3 GLU 97 1HG GLU 97 7.895 25.812 -6.904 738 H ARG 98 HN ARG 98 5.566 24.264 -7.055 739 HA ARG 98 HA ARG 98 3.529 25.209 -7.235 740 HB2 ARG 98 2HB ARG 98 4.146 26.698 -8.936 741 HB3 ARG 98 1HB ARG 98 4.218 25.426 -10.136 742 HG2 ARG 98 2HG ARG 98 1.735 25.136 -9.793 743 HG3 ARG 98 1HG ARG 98 1.785 26.619 -8.839 744 HD2 ARG 98 2HD ARG 98 1.113 27.117 -11.107 745 HD3 ARG 98 1HD ARG 98 2.701 27.812 -10.786 746 HE ARG 98 HE ARG 98 3.676 26.048 -12.105 747 HH11 ARG 98 1HH1 ARG 98 0.183 26.254 -12.256 748 HH12 ARG 98 2HH1 ARG 98 0.084 25.483 -13.810 749 HH21 ARG 98 1HH2 ARG 98 3.543 25.034 -14.139 750 HH22 ARG 98 2HH2 ARG 98 1.989 24.764 -14.874 751 H GLN 99 HN GLN 99 1.543 24.413 -7.340 752 HA GLN 99 HA GLN 99 1.390 21.589 -7.655 753 HB2 GLN 99 2HB GLN 99 0.188 23.340 -6.022 754 HB3 GLN 99 1HB GLN 99 -1.068 23.202 -7.243 755 HG2 GLN 99 2HG GLN 99 0.119 20.723 -6.126 756 HG3 GLN 99 1HG GLN 99 -1.013 21.641 -5.138 757 HE21 GLN 99 1HE2 GLN 99 -2.576 20.058 -5.170 758 HE22 GLN 99 2HE2 GLN 99 -3.488 19.658 -6.585 759 H THR 100 HN THR 100 0.990 20.554 -9.468 760 HA THR 100 HA THR 100 -1.033 21.611 -11.300 761 HB THR 100 HB THR 100 1.609 20.447 -12.217 762 HG1 THR 100 1HG THR 100 1.811 22.595 -11.413 763 HG21 THR 100 3HG2 THR 100 -0.667 21.662 -13.792 764 HG22 THR 100 1HG2 THR 100 -0.257 19.948 -13.733 765 HG23 THR 100 2HG2 THR 100 0.866 21.100 -14.457 766 H VAL 101 HN VAL 101 -2.537 20.103 -10.670 767 HA VAL 101 HA VAL 101 -1.943 17.336 -10.383 768 HB VAL 101 HB VAL 101 -3.823 18.233 -9.176 769 HG11 VAL 101 1HG1 VAL 101 -5.845 19.041 -10.250 770 HG12 VAL 101 2HG1 VAL 101 -5.110 18.822 -11.837 771 HG13 VAL 101 3HG1 VAL 101 -4.457 20.023 -10.723 772 HG21 VAL 101 3HG2 VAL 101 -3.963 15.893 -9.816 773 HG22 VAL 101 1HG2 VAL 101 -4.746 16.338 -11.333 774 HG23 VAL 101 2HG2 VAL 101 -5.568 16.625 -9.799 775 H SER 102 HN SER 102 -1.528 15.957 -11.938 776 HA SER 102 HA SER 102 -2.356 16.576 -14.670 777 HB2 SER 102 2HB SER 102 -0.488 14.404 -13.674 778 HB3 SER 102 1HB SER 102 -0.716 14.912 -15.351 779 HG SER 102 HG SER 102 0.377 16.437 -13.216 780 H VAL 103 HN VAL 103 -3.747 15.332 -15.820 781 HA VAL 103 HA VAL 103 -4.981 13.084 -14.388 782 HB VAL 103 HB VAL 103 -6.595 14.839 -14.636 783 HG11 VAL 103 1HG1 VAL 103 -7.246 15.772 -16.800 784 HG12 VAL 103 2HG1 VAL 103 -5.982 14.830 -17.589 785 HG13 VAL 103 3HG1 VAL 103 -5.550 16.099 -16.442 786 HG21 VAL 103 3HG2 VAL 103 -7.099 12.687 -16.691 787 HG22 VAL 103 1HG2 VAL 103 -8.330 13.718 -15.958 788 HG23 VAL 103 2HG2 VAL 103 -7.430 12.574 -14.962 789 HA PRO 104 HA PRO 104 -3.363 10.798 -17.911 790 HB2 PRO 104 2HB PRO 104 -3.771 8.427 -16.323 791 HB3 PRO 104 1HB PRO 104 -2.247 9.185 -16.785 792 HG2 PRO 104 2HG PRO 104 -3.193 9.084 -14.214 793 HG3 PRO 104 1HG PRO 104 -2.064 10.312 -14.811 794 HD2 PRO 104 2HD PRO 104 -5.025 10.493 -14.407 795 HD3 PRO 104 1HD PRO 104 -3.766 11.705 -14.075 796 H VAL 105 HN VAL 105 -5.091 11.007 -19.301 797 HA VAL 105 HA VAL 105 -7.704 10.113 -18.741 798 HB VAL 105 HB VAL 105 -7.270 11.822 -20.437 799 HG11 VAL 105 1HG1 VAL 105 -5.200 10.952 -21.372 800 HG12 VAL 105 2HG1 VAL 105 -6.393 11.242 -22.639 801 HG13 VAL 105 3HG1 VAL 105 -6.077 9.598 -22.083 802 HG21 VAL 105 3HG2 VAL 105 -8.593 9.361 -21.568 803 HG22 VAL 105 1HG2 VAL 105 -8.795 11.003 -22.176 804 HG23 VAL 105 2HG2 VAL 105 -9.360 10.586 -20.558 805 H THR 106 HN THR 106 -4.948 8.593 -20.278 806 HA THR 106 HA THR 106 -4.459 6.449 -20.804 807 HB THR 106 HB THR 106 -6.981 5.628 -19.369 808 HG1 THR 106 1HG THR 106 -5.832 6.797 -17.876 809 HG21 THR 106 3HG2 THR 106 -5.900 3.870 -20.693 810 HG22 THR 106 1HG2 THR 106 -5.748 3.545 -18.966 811 HG23 THR 106 2HG2 THR 106 -4.374 4.184 -19.869 812 H VAL 107 HN VAL 107 -4.591 6.097 -22.904 813 HA VAL 107 HA VAL 107 -6.903 6.435 -24.475 814 HB VAL 107 HB VAL 107 -5.646 5.245 -26.265 815 HG11 VAL 107 1HG1 VAL 107 -3.873 6.916 -26.479 816 HG12 VAL 107 2HG1 VAL 107 -4.088 7.365 -24.786 817 HG13 VAL 107 3HG1 VAL 107 -5.387 7.645 -25.947 818 HG21 VAL 107 3HG2 VAL 107 -3.331 4.573 -25.876 819 HG22 VAL 107 1HG2 VAL 107 -4.431 3.643 -24.862 820 HG23 VAL 107 2HG2 VAL 107 -3.492 4.963 -24.164 821 H GLU 108 HN GLU 108 -8.491 5.102 -25.076 822 HA GLU 108 HA GLU 108 -8.849 2.667 -23.608 823 HB2 GLU 108 2HB GLU 108 -10.692 4.278 -24.192 824 HB3 GLU 108 1HB GLU 108 -10.546 3.755 -25.862 825 HG2 GLU 108 2HG GLU 108 -11.187 1.513 -25.261 826 HG3 GLU 108 1HG GLU 108 -11.212 1.946 -23.552 827 H MET 109 HN MET 109 -8.316 0.674 -24.229 828 HA MET 109 HA MET 109 -7.195 0.375 -26.930 829 HB2 MET 109 2HB MET 109 -6.720 -1.287 -24.451 830 HB3 MET 109 1HB MET 109 -5.926 -1.515 -26.003 831 HG2 MET 109 2HG MET 109 -4.902 0.693 -25.802 832 HG3 MET 109 1HG MET 109 -5.701 0.919 -24.247 833 HE1 MET 109 3HE MET 109 -2.025 0.464 -23.091 834 HE2 MET 109 1HE MET 109 -3.493 1.434 -22.961 835 HE3 MET 109 2HE MET 109 -2.624 1.352 -24.492 836 H ILE 110 HN ILE 110 -7.795 -1.284 -28.265 837 HA ILE 110 HA ILE 110 -10.090 -2.911 -27.368 838 HB ILE 110 HB ILE 110 -10.714 -3.094 -29.770 839 HG12 ILE 110 2HG1 ILE 110 -8.650 -0.911 -30.159 840 HG13 ILE 110 1HG1 ILE 110 -8.487 -2.567 -30.723 841 HG21 ILE 110 1HG2 ILE 110 -11.707 -0.876 -29.947 842 HG22 ILE 110 2HG2 ILE 110 -10.626 -0.284 -28.685 843 HG23 ILE 110 3HG2 ILE 110 -11.837 -1.511 -28.307 844 HD11 ILE 110 3HD1 ILE 110 -10.446 -2.247 -32.173 845 HD12 ILE 110 1HD1 ILE 110 -9.136 -1.123 -32.542 846 HD13 ILE 110 2HD1 ILE 110 -10.541 -0.570 -31.633 847 H ASN 111 HN ASN 111 -10.245 -4.784 -29.256 848 HA ASN 111 HA ASN 111 -7.600 -6.024 -29.520 849 HB2 ASN 111 2HB ASN 111 -8.375 -8.158 -28.703 850 HB3 ASN 111 1HB ASN 111 -8.753 -6.952 -27.477 851 HD21 ASN 111 1HD2 ASN 111 -9.995 -9.271 -29.676 852 HD22 ASN 111 2HD2 ASN 111 -11.677 -9.077 -29.277 853 H LEU 112 HN LEU 112 -7.471 -7.526 -31.264 854 HA LEU 112 HA LEU 112 -9.833 -7.667 -32.987 855 HB2 LEU 112 2HB LEU 112 -8.509 -7.227 -34.995 856 HB3 LEU 112 1HB LEU 112 -8.516 -5.848 -33.917 857 HG LEU 112 HG LEU 112 -6.215 -7.783 -33.912 858 HD11 LEU 112 1HD1 LEU 112 -5.087 -6.301 -35.515 859 HD12 LEU 112 2HD1 LEU 112 -6.590 -5.404 -35.728 860 HD13 LEU 112 3HD1 LEU 112 -6.494 -7.093 -36.224 861 HD21 LEU 112 3HD2 LEU 112 -6.470 -4.851 -33.232 862 HD22 LEU 112 1HD2 LEU 112 -4.987 -5.800 -33.149 863 HD23 LEU 112 2HD2 LEU 112 -6.335 -6.179 -32.078 864 H GLU 113 HN GLU 113 -9.720 -9.404 -34.567 865 HA GLU 113 HA GLU 113 -7.973 -11.579 -33.633 866 HB2 GLU 113 2HB GLU 113 -9.840 -13.128 -34.173 867 HB3 GLU 113 1HB GLU 113 -10.222 -12.004 -32.877 868 HG2 GLU 113 2HG GLU 113 -11.498 -10.628 -34.415 869 HG3 GLU 113 1HG GLU 113 -11.086 -11.709 -35.746 870 H HIS 114 HN HIS 114 -6.935 -12.770 -35.133 871 HA HIS 114 HA HIS 114 -7.384 -12.073 -37.959 872 HB2 HIS 114 2HB HIS 114 -5.027 -13.396 -36.592 873 HB3 HIS 114 1HB HIS 114 -5.173 -13.210 -38.335 874 HD1 HIS 114 1HD HIS 114 -3.349 -11.776 -35.816 875 HD2 HIS 114 2HD HIS 114 -5.879 -10.129 -38.679 876 HE1 HIS 114 1HE HIS 114 -2.634 -9.373 -36.057 877 HE2 HIS 114 2HE HIS 114 -4.257 -8.364 -37.707 878 H HIS 115 HN HIS 115 -8.203 -13.551 -39.346 879 HA HIS 115 HA HIS 115 -8.897 -16.160 -38.211 880 HB2 HIS 115 2HB HIS 115 -9.908 -14.718 -40.664 881 HB3 HIS 115 1HB HIS 115 -10.397 -16.347 -40.216 882 HD1 HIS 115 1HD HIS 115 -11.880 -13.306 -40.231 883 HD2 HIS 115 2HD HIS 115 -11.152 -15.973 -37.128 884 HE1 HIS 115 1HE HIS 115 -13.544 -12.728 -38.433 885 HE2 HIS 115 2HE HIS 115 -12.909 -14.193 -36.481 886 H HIS 116 HN HIS 116 -8.239 -18.051 -39.014 887 HA HIS 116 HA HIS 116 -6.290 -18.001 -41.228 888 HB2 HIS 116 2HB HIS 116 -6.748 -20.029 -39.030 889 HB3 HIS 116 1HB HIS 116 -5.689 -20.312 -40.404 890 HD1 HIS 116 1HD HIS 116 -3.430 -19.055 -40.450 891 HD2 HIS 116 2HD HIS 116 -5.721 -18.367 -37.047 892 HE1 HIS 116 1HE HIS 116 -1.865 -18.012 -38.775 893 HE2 HIS 116 2HE HIS 116 -3.210 -17.887 -36.649 894 H HIS 117 HN HIS 117 -7.012 -18.711 -43.135 895 HA HIS 117 HA HIS 117 -9.429 -20.372 -43.129 896 HB2 HIS 117 2HB HIS 117 -9.786 -19.745 -45.420 897 HB3 HIS 117 1HB HIS 117 -9.448 -18.283 -44.509 898 HD1 HIS 117 1HD HIS 117 -7.656 -16.799 -45.422 899 HD2 HIS 117 2HD HIS 117 -7.512 -20.625 -47.044 900 HE1 HIS 117 1HE HIS 117 -5.933 -16.699 -47.250 901 HE2 HIS 117 2HE HIS 117 -5.952 -18.988 -48.300 902 H HIS 118 HN HIS 118 -9.492 -22.389 -43.996 903 HA HIS 118 HA HIS 118 -6.899 -23.586 -44.614 904 HB2 HIS 118 2HB HIS 118 -7.959 -25.733 -44.409 905 HB3 HIS 118 1HB HIS 118 -8.467 -24.754 -43.043 906 HD1 HIS 118 1HD HIS 118 -9.798 -26.126 -46.327 907 HD2 HIS 118 2HD HIS 118 -11.178 -24.444 -42.777 908 HE1 HIS 118 1HE HIS 118 -12.292 -26.423 -46.357 909 HE2 HIS 118 2HE HIS 118 -13.080 -25.580 -44.117 910 H HIS 119 HN HIS 119 -7.012 -25.285 -46.451 911 HA HIS 119 HA HIS 119 -8.715 -24.323 -48.635 912 HB2 HIS 119 2HB HIS 119 -6.373 -23.459 -48.891 913 HB3 HIS 119 1HB HIS 119 -5.812 -25.128 -48.950 914 HD1 HIS 119 1HD HIS 119 -7.337 -22.461 -51.010 915 HD2 HIS 119 2HD HIS 119 -6.543 -26.533 -51.332 916 HE1 HIS 119 1HE HIS 119 -7.602 -23.015 -53.447 917 HE2 HIS 119 2HE HIS 119 -6.913 -25.428 -53.639 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -6.368 -34.935 10.135 2 H2 MET 1 H2 MET 1 -5.269 -33.830 10.815 3 H3 MET 1 H3 MET 1 -4.755 -35.390 10.388 4 HA MET 1 HA MET 1 -4.992 -34.984 8.109 5 HB2 MET 1 2HB MET 1 -5.804 -32.813 7.247 6 HB3 MET 1 1HB MET 1 -7.039 -33.681 8.143 7 HG2 MET 1 2HG MET 1 -6.674 -32.246 10.070 8 HG3 MET 1 1HG MET 1 -5.389 -31.400 9.215 9 HE1 MET 1 2HE MET 1 -6.565 -29.067 9.731 10 HE2 MET 1 3HE MET 1 -7.835 -29.924 10.613 11 HE3 MET 1 1HE MET 1 -8.259 -28.737 9.380 12 HA PRO 2 HA PRO 2 -1.044 -32.892 8.672 13 HB2 PRO 2 2HB PRO 2 0.370 -34.496 7.079 14 HB3 PRO 2 1HB PRO 2 -0.174 -35.062 8.665 15 HG2 PRO 2 2HG PRO 2 -1.237 -35.697 5.955 16 HG3 PRO 2 1HG PRO 2 -1.134 -36.724 7.395 17 HD2 PRO 2 2HD PRO 2 -3.405 -35.312 6.486 18 HD3 PRO 2 1HD PRO 2 -3.216 -36.112 8.058 19 H THR 3 HN THR 3 -3.249 -32.205 6.821 20 HA THR 3 HA THR 3 -2.304 -32.008 4.158 21 HB THR 3 HB THR 3 -4.326 -30.528 3.879 22 HG1 THR 3 1HG THR 3 -4.179 -29.911 6.231 23 HG21 THR 3 3HG2 THR 3 -4.470 -32.960 3.552 24 HG22 THR 3 1HG2 THR 3 -5.950 -32.322 4.269 25 HG23 THR 3 2HG2 THR 3 -4.778 -33.172 5.276 26 H PHE 4 HN PHE 4 -0.752 -30.656 3.515 27 HA PHE 4 HA PHE 4 -0.101 -28.201 4.744 28 HB2 PHE 4 2HB PHE 4 0.938 -27.807 2.364 29 HB3 PHE 4 1HB PHE 4 1.635 -29.005 3.443 30 HD1 PHE 4 2HD PHE 4 -0.299 -28.467 0.388 31 HD2 PHE 4 1HD PHE 4 1.438 -31.358 2.983 32 HE1 PHE 4 2HE PHE 4 -0.585 -30.187 -1.344 33 HE2 PHE 4 1HE PHE 4 1.157 -33.084 1.254 34 HZ PHE 4 HZ PHE 4 0.146 -32.500 -0.912 35 H ASP 5 HN ASP 5 -0.991 -26.233 4.525 36 HA ASP 5 HA ASP 5 -3.038 -25.788 2.508 37 HB2 ASP 5 2HB ASP 5 -4.293 -26.831 4.303 38 HB3 ASP 5 1HB ASP 5 -3.563 -25.760 5.492 39 H HIS 6 HN HIS 6 -1.926 -24.110 1.672 40 HA HIS 6 HA HIS 6 -1.054 -21.938 3.393 41 HB2 HIS 6 2HB HIS 6 -0.107 -20.910 1.460 42 HB3 HIS 6 1HB HIS 6 0.252 -22.625 1.341 43 HD1 HIS 6 1HD HIS 6 -0.340 -23.724 -0.812 44 HD2 HIS 6 2HD HIS 6 -2.313 -20.093 -0.321 45 HE1 HIS 6 1HE HIS 6 -1.504 -23.274 -3.002 46 HE2 HIS 6 2HE HIS 6 -2.643 -21.043 -2.706 47 H GLY 7 HN GLY 7 -1.793 -19.746 3.067 48 HA2 GLY 7 2HA GLY 7 -4.604 -19.674 2.173 49 HA3 GLY 7 1HA GLY 7 -3.989 -18.736 3.529 50 H ASN 8 HN ASN 8 -5.337 -17.655 1.324 51 HA ASN 8 HA ASN 8 -3.192 -15.997 0.164 52 HB2 ASN 8 2HB ASN 8 -5.956 -16.440 -0.975 53 HB3 ASN 8 1HB ASN 8 -4.669 -15.501 -1.704 54 HD21 ASN 8 1HD2 ASN 8 -3.087 -16.504 -2.847 55 HD22 ASN 8 2HD2 ASN 8 -3.100 -18.200 -3.209 56 H LEU 9 HN LEU 9 -3.535 -13.781 0.193 57 HA LEU 9 HA LEU 9 -5.918 -12.754 1.502 58 HB2 LEU 9 2HB LEU 9 -4.397 -13.316 3.360 59 HB3 LEU 9 1HB LEU 9 -3.159 -12.297 2.647 60 HG LEU 9 HG LEU 9 -4.634 -10.329 2.967 61 HD11 LEU 9 1HD1 LEU 9 -6.605 -10.559 4.424 62 HD12 LEU 9 2HD1 LEU 9 -6.411 -12.312 4.385 63 HD13 LEU 9 3HD1 LEU 9 -6.790 -11.434 2.903 64 HD21 LEU 9 3HD2 LEU 9 -4.375 -10.196 5.396 65 HD22 LEU 9 1HD2 LEU 9 -2.944 -10.898 4.639 66 HD23 LEU 9 2HD2 LEU 9 -4.105 -11.936 5.464 67 H SER 10 HN SER 10 -6.301 -10.605 1.072 68 HA SER 10 HA SER 10 -4.308 -9.217 -0.577 69 HB2 SER 10 2HB SER 10 -7.320 -9.038 -0.871 70 HB3 SER 10 1HB SER 10 -6.121 -8.214 -1.869 71 HG SER 10 HG SER 10 -5.492 -10.154 -2.734 72 H LEU 11 HN LEU 11 -3.630 -7.383 0.328 73 HA LEU 11 HA LEU 11 -4.940 -6.302 2.658 74 HB2 LEU 11 2HB LEU 11 -2.614 -5.251 1.034 75 HB3 LEU 11 1HB LEU 11 -3.150 -4.594 2.569 76 HG LEU 11 HG LEU 11 -2.047 -7.382 2.165 77 HD11 LEU 11 1HD1 LEU 11 -0.325 -5.699 1.866 78 HD12 LEU 11 2HD1 LEU 11 -0.102 -6.539 3.402 79 HD13 LEU 11 3HD1 LEU 11 -0.800 -4.919 3.377 80 HD21 LEU 11 3HD2 LEU 11 -2.781 -5.884 4.681 81 HD22 LEU 11 1HD2 LEU 11 -2.000 -7.464 4.612 82 HD23 LEU 11 2HD2 LEU 11 -3.645 -7.268 4.006 83 H GLY 12 HN GLY 12 -5.218 -5.966 -0.671 84 HA2 GLY 12 2HA GLY 12 -6.763 -4.718 -1.871 85 HA3 GLY 12 1HA GLY 12 -7.141 -3.827 -0.399 86 H GLU 13 HN GLU 13 -7.096 -1.976 -1.878 87 HA GLU 13 HA GLU 13 -4.510 -1.113 -2.805 88 HB2 GLU 13 2HB GLU 13 -7.202 0.255 -2.732 89 HB3 GLU 13 1HB GLU 13 -5.747 0.997 -3.390 90 HG2 GLU 13 2HG GLU 13 -5.572 -0.899 -4.982 91 HG3 GLU 13 1HG GLU 13 -7.120 -1.489 -4.381 92 H LEU 14 HN LEU 14 -3.060 -0.329 -1.491 93 HA LEU 14 HA LEU 14 -3.863 0.978 1.001 94 HB2 LEU 14 2HB LEU 14 -1.156 0.051 0.038 95 HB3 LEU 14 1HB LEU 14 -1.470 0.779 1.602 96 HG LEU 14 HG LEU 14 -2.551 -1.863 0.623 97 HD11 LEU 14 1HD1 LEU 14 -1.124 -2.827 2.350 98 HD12 LEU 14 2HD1 LEU 14 -0.519 -1.220 2.754 99 HD13 LEU 14 3HD1 LEU 14 -0.173 -1.920 1.173 100 HD21 LEU 14 3HD2 LEU 14 -4.157 -0.731 2.051 101 HD22 LEU 14 1HD2 LEU 14 -2.910 -0.462 3.267 102 HD23 LEU 14 2HD2 LEU 14 -3.439 -2.103 2.896 103 H GLU 15 HN GLU 15 -3.111 3.015 1.569 104 HA GLU 15 HA GLU 15 -2.823 4.812 -0.678 105 HB2 GLU 15 2HB GLU 15 -2.903 5.397 2.287 106 HB3 GLU 15 1HB GLU 15 -3.064 6.578 0.993 107 HG2 GLU 15 2HG GLU 15 -5.157 5.672 0.321 108 HG3 GLU 15 1HG GLU 15 -4.963 4.279 1.384 109 H LEU 16 HN LEU 16 -0.963 5.617 -1.413 110 HA LEU 16 HA LEU 16 1.487 5.065 0.061 111 HB2 LEU 16 2HB LEU 16 1.263 4.547 -2.378 112 HB3 LEU 16 1HB LEU 16 1.152 6.267 -2.685 113 HG LEU 16 HG LEU 16 3.554 5.228 -1.239 114 HD11 LEU 16 1HD1 LEU 16 3.280 3.724 -3.153 115 HD12 LEU 16 2HD1 LEU 16 4.671 4.792 -3.355 116 HD13 LEU 16 3HD1 LEU 16 3.173 5.118 -4.230 117 HD21 LEU 16 3HD2 LEU 16 3.245 7.638 -1.510 118 HD22 LEU 16 1HD2 LEU 16 3.125 7.432 -3.256 119 HD23 LEU 16 2HD2 LEU 16 4.640 7.069 -2.427 120 H THR 17 HN THR 17 2.629 6.523 1.120 121 HA THR 17 HA THR 17 1.793 9.343 0.991 122 HB THR 17 HB THR 17 3.329 7.932 3.184 123 HG1 THR 17 1HG THR 17 0.612 8.782 3.286 124 HG21 THR 17 3HG2 THR 17 1.966 10.633 3.169 125 HG22 THR 17 1HG2 THR 17 3.706 10.376 3.057 126 HG23 THR 17 2HG2 THR 17 2.840 9.911 4.522 127 H VAL 18 HN VAL 18 3.298 10.920 0.517 128 HA VAL 18 HA VAL 18 5.919 9.897 -0.349 129 HB VAL 18 HB VAL 18 4.540 12.448 -1.215 130 HG11 VAL 18 1HG1 VAL 18 6.973 12.574 -1.329 131 HG12 VAL 18 2HG1 VAL 18 6.259 12.541 -2.941 132 HG13 VAL 18 3HG1 VAL 18 7.012 11.090 -2.278 133 HG21 VAL 18 3HG2 VAL 18 4.209 11.286 -3.369 134 HG22 VAL 18 1HG2 VAL 18 3.315 10.538 -2.043 135 HG23 VAL 18 2HG2 VAL 18 4.805 9.800 -2.631 136 H LEU 19 HN LEU 19 7.585 10.379 0.911 137 HA LEU 19 HA LEU 19 7.523 12.779 2.580 138 HB2 LEU 19 2HB LEU 19 9.643 10.638 2.293 139 HB3 LEU 19 1HB LEU 19 9.669 11.950 3.455 140 HG LEU 19 HG LEU 19 7.662 9.696 3.388 141 HD11 LEU 19 1HD1 LEU 19 9.864 8.970 4.127 142 HD12 LEU 19 2HD1 LEU 19 8.728 9.001 5.478 143 HD13 LEU 19 3HD1 LEU 19 9.920 10.290 5.297 144 HD21 LEU 19 3HD2 LEU 19 6.872 10.611 5.513 145 HD22 LEU 19 1HD2 LEU 19 6.663 11.769 4.197 146 HD23 LEU 19 2HD2 LEU 19 7.991 11.967 5.345 147 H TYR 20 HN TYR 20 8.261 14.623 1.760 148 HA TYR 20 HA TYR 20 10.352 14.620 -0.245 149 HB2 TYR 20 2HB TYR 20 9.027 15.766 -1.938 150 HB3 TYR 20 1HB TYR 20 8.286 14.219 -1.547 151 HD1 TYR 20 2HD TYR 20 6.398 14.351 0.317 152 HD2 TYR 20 1HD TYR 20 7.677 17.640 -2.059 153 HE1 TYR 20 2HE TYR 20 4.270 15.494 0.764 154 HE2 TYR 20 1HE TYR 20 5.550 18.792 -1.616 155 HH TYR 20 HH TYR 20 3.430 17.856 0.807 156 H ASP 21 HN ASP 21 8.352 16.225 2.050 157 HA ASP 21 HA ASP 21 8.391 18.240 3.061 158 HB2 ASP 21 2HB ASP 21 10.787 18.010 3.357 159 HB3 ASP 21 1HB ASP 21 11.079 18.557 1.708 160 H GLU 22 HN GLU 22 7.107 19.832 2.536 161 HA GLU 22 HA GLU 22 6.490 20.199 -0.236 162 HB2 GLU 22 2HB GLU 22 4.725 21.772 0.700 163 HB3 GLU 22 1HB GLU 22 4.615 20.077 1.150 164 HG2 GLU 22 2HG GLU 22 5.696 20.613 3.300 165 HG3 GLU 22 1HG GLU 22 5.693 22.316 2.846 166 H GLU 23 HN GLU 23 8.853 21.600 1.563 167 HA GLU 23 HA GLU 23 8.664 24.137 0.136 168 HB2 GLU 23 2HB GLU 23 10.600 23.198 2.253 169 HB3 GLU 23 1HB GLU 23 10.630 24.777 1.493 170 HG2 GLU 23 2HG GLU 23 8.280 25.095 2.342 171 HG3 GLU 23 1HG GLU 23 8.533 23.647 3.309 172 H ARG 24 HN ARG 24 9.926 21.062 -0.243 173 HA ARG 24 HA ARG 24 12.248 21.845 -1.794 174 HB2 ARG 24 2HB ARG 24 10.914 19.142 -1.528 175 HB3 ARG 24 1HB ARG 24 12.463 19.451 -2.288 176 HG2 ARG 24 2HG ARG 24 11.848 19.893 0.628 177 HG3 ARG 24 1HG ARG 24 12.670 18.482 -0.039 178 HD2 ARG 24 2HD ARG 24 14.433 19.797 0.686 179 HD3 ARG 24 1HD ARG 24 14.319 20.223 -1.021 180 HE ARG 24 HE ARG 24 12.759 21.963 0.608 181 HH11 ARG 24 1HH1 ARG 24 16.021 21.304 -0.475 182 HH12 ARG 24 2HH1 ARG 24 16.580 22.924 -0.195 183 HH21 ARG 24 1HH2 ARG 24 13.485 24.106 0.963 184 HH22 ARG 24 2HH2 ARG 24 15.141 24.520 0.619 185 H TYR 25 HN TYR 25 9.363 19.914 -2.563 186 HA TYR 25 HA TYR 25 9.038 21.376 -5.076 187 HB2 TYR 25 2HB TYR 25 9.117 18.355 -4.866 188 HB3 TYR 25 1HB TYR 25 8.689 19.265 -6.303 189 HD1 TYR 25 2HD TYR 25 10.525 20.821 -7.283 190 HD2 TYR 25 1HD TYR 25 11.299 17.701 -4.498 191 HE1 TYR 25 2HE TYR 25 12.881 20.776 -7.994 192 HE2 TYR 25 1HE TYR 25 13.651 17.644 -5.197 193 HH TYR 25 HH TYR 25 15.000 18.246 -7.152 194 H ASP 26 HN ASP 26 6.912 20.715 -6.123 195 HA ASP 26 HA ASP 26 4.949 19.838 -4.107 196 HB2 ASP 26 2HB ASP 26 4.700 21.740 -6.420 197 HB3 ASP 26 1HB ASP 26 3.283 20.871 -5.846 198 H ILE 27 HN ILE 27 3.125 18.535 -5.050 199 HA ILE 27 HA ILE 27 4.361 16.488 -6.720 200 HB ILE 27 HB ILE 27 1.712 16.386 -5.275 201 HG12 ILE 27 2HG1 ILE 27 4.417 15.316 -4.429 202 HG13 ILE 27 1HG1 ILE 27 3.595 16.696 -3.710 203 HG21 ILE 27 1HG2 ILE 27 1.923 13.958 -5.568 204 HG22 ILE 27 2HG2 ILE 27 3.407 14.203 -6.490 205 HG23 ILE 27 3HG2 ILE 27 1.871 14.802 -7.116 206 HD11 ILE 27 3HD1 ILE 27 1.793 15.221 -2.964 207 HD12 ILE 27 1HD1 ILE 27 3.360 14.720 -2.329 208 HD13 ILE 27 2HD1 ILE 27 2.633 13.844 -3.674 209 H VAL 28 HN VAL 28 3.953 16.322 -8.816 210 HA VAL 28 HA VAL 28 1.539 17.620 -9.898 211 HB VAL 28 HB VAL 28 4.046 16.864 -11.408 212 HG11 VAL 28 1HG1 VAL 28 2.015 17.013 -12.774 213 HG12 VAL 28 2HG1 VAL 28 3.158 18.299 -13.161 214 HG13 VAL 28 3HG1 VAL 28 1.737 18.648 -12.177 215 HG21 VAL 28 3HG2 VAL 28 4.524 18.571 -9.719 216 HG22 VAL 28 1HG2 VAL 28 3.213 19.565 -10.352 217 HG23 VAL 28 2HG2 VAL 28 4.628 19.232 -11.352 218 H GLU 29 HN GLU 29 3.432 14.677 -9.833 219 HA GLU 29 HA GLU 29 1.076 13.192 -10.707 220 HB2 GLU 29 2HB GLU 29 2.536 13.547 -12.700 221 HB3 GLU 29 1HB GLU 29 3.852 12.760 -11.845 222 HG2 GLU 29 2HG GLU 29 1.414 11.156 -11.999 223 HG3 GLU 29 1HG GLU 29 2.124 11.548 -13.565 224 H GLN 30 HN GLN 30 1.226 10.882 -9.979 225 HA GLN 30 HA GLN 30 3.157 10.186 -8.008 226 HB2 GLN 30 2HB GLN 30 1.795 10.467 -6.009 227 HB3 GLN 30 1HB GLN 30 2.021 12.021 -6.802 228 HG2 GLN 30 2HG GLN 30 -0.213 11.789 -7.825 229 HG3 GLN 30 1HG GLN 30 -0.438 10.286 -6.936 230 HE21 GLN 30 1HE2 GLN 30 -0.323 13.736 -6.751 231 HE22 GLN 30 2HE2 GLN 30 -0.962 13.879 -5.152 232 H THR 31 HN THR 31 2.511 8.262 -6.768 233 HA THR 31 HA THR 31 0.548 6.619 -8.190 234 HB THR 31 HB THR 31 2.561 5.769 -6.092 235 HG1 THR 31 1HG THR 31 3.260 6.601 -8.349 236 HG21 THR 31 3HG2 THR 31 0.927 4.152 -8.050 237 HG22 THR 31 1HG2 THR 31 0.641 4.262 -6.315 238 HG23 THR 31 2HG2 THR 31 2.117 3.509 -6.921 239 H GLU 32 HN GLU 32 -1.448 6.810 -7.379 240 HA GLU 32 HA GLU 32 -2.080 7.875 -4.858 241 HB2 GLU 32 2HB GLU 32 -3.513 6.744 -7.153 242 HB3 GLU 32 1HB GLU 32 -4.349 6.552 -5.620 243 HG2 GLU 32 2HG GLU 32 -3.238 9.219 -6.299 244 HG3 GLU 32 1HG GLU 32 -4.690 8.672 -7.133 245 H THR 33 HN THR 33 -3.162 4.678 -5.912 246 HA THR 33 HA THR 33 -2.470 3.609 -3.266 247 HB THR 33 HB THR 33 -4.667 2.281 -3.489 248 HG1 THR 33 1HG THR 33 -5.799 2.729 -5.218 249 HG21 THR 33 3HG2 THR 33 -4.753 5.257 -2.968 250 HG22 THR 33 1HG2 THR 33 -4.355 4.003 -1.795 251 HG23 THR 33 2HG2 THR 33 -5.984 4.100 -2.464 252 H VAL 34 HN VAL 34 -1.935 1.424 -3.223 253 HA VAL 34 HA VAL 34 -1.762 0.124 -5.872 254 HB VAL 34 HB VAL 34 0.259 -0.346 -3.688 255 HG11 VAL 34 1HG1 VAL 34 0.070 -2.061 -5.371 256 HG12 VAL 34 2HG1 VAL 34 1.607 -1.212 -5.515 257 HG13 VAL 34 3HG1 VAL 34 0.297 -0.863 -6.644 258 HG21 VAL 34 3HG2 VAL 34 0.373 2.028 -4.272 259 HG22 VAL 34 1HG2 VAL 34 0.515 1.603 -5.977 260 HG23 VAL 34 2HG2 VAL 34 1.794 1.159 -4.850 261 H GLN 35 HN GLN 35 -2.059 -2.119 -5.915 262 HA GLN 35 HA GLN 35 -3.513 -3.190 -3.640 263 HB2 GLN 35 2HB GLN 35 -4.204 -4.967 -5.126 264 HB3 GLN 35 1HB GLN 35 -4.426 -3.424 -5.938 265 HG2 GLN 35 2HG GLN 35 -2.355 -3.774 -7.176 266 HG3 GLN 35 1HG GLN 35 -2.126 -5.317 -6.364 267 HE21 GLN 35 1HE2 GLN 35 -2.176 -6.540 -8.182 268 HE22 GLN 35 2HE2 GLN 35 -3.598 -6.769 -9.138 269 H VAL 36 HN VAL 36 -2.818 -4.774 -2.369 270 HA VAL 36 HA VAL 36 -0.219 -6.059 -2.930 271 HB VAL 36 HB VAL 36 -1.172 -5.205 -0.187 272 HG11 VAL 36 1HG1 VAL 36 1.120 -5.712 0.497 273 HG12 VAL 36 2HG1 VAL 36 1.492 -6.240 -1.144 274 HG13 VAL 36 3HG1 VAL 36 0.315 -7.130 -0.178 275 HG21 VAL 36 3HG2 VAL 36 0.520 -3.448 -0.273 276 HG22 VAL 36 1HG2 VAL 36 -0.684 -3.230 -1.543 277 HG23 VAL 36 2HG2 VAL 36 0.905 -3.888 -1.938 278 H ASP 37 HN ASP 37 -0.149 -8.187 -2.633 279 HA ASP 37 HA ASP 37 -2.419 -9.522 -1.308 280 HB2 ASP 37 2HB ASP 37 -1.004 -10.395 -3.843 281 HB3 ASP 37 1HB ASP 37 -2.166 -11.377 -2.963 282 H LEU 38 HN LEU 38 -1.886 -11.570 -0.342 283 HA LEU 38 HA LEU 38 0.989 -11.984 0.123 284 HB2 LEU 38 2HB LEU 38 -1.161 -11.870 2.242 285 HB3 LEU 38 1HB LEU 38 0.486 -12.393 2.525 286 HG LEU 38 HG LEU 38 -0.314 -9.623 1.625 287 HD11 LEU 38 1HD1 LEU 38 -1.061 -10.093 3.901 288 HD12 LEU 38 2HD1 LEU 38 0.259 -8.925 3.884 289 HD13 LEU 38 3HD1 LEU 38 0.570 -10.600 4.335 290 HD21 LEU 38 3HD2 LEU 38 2.000 -9.041 2.140 291 HD22 LEU 38 1HD2 LEU 38 1.913 -10.264 0.876 292 HD23 LEU 38 2HD2 LEU 38 2.345 -10.727 2.521 293 H GLU 39 HN GLU 39 1.602 -14.051 0.063 294 HA GLU 39 HA GLU 39 -0.457 -16.128 0.365 295 HB2 GLU 39 2HB GLU 39 1.663 -15.857 -1.727 296 HB3 GLU 39 1HB GLU 39 1.169 -17.462 -1.211 297 HG2 GLU 39 2HG GLU 39 -1.129 -16.967 -1.812 298 HG3 GLU 39 1HG GLU 39 -0.656 -15.346 -2.307 299 H GLY 40 HN GLY 40 0.116 -17.963 1.455 300 HA2 GLY 40 2HA GLY 40 2.392 -19.183 2.026 301 HA3 GLY 40 1HA GLY 40 2.569 -17.761 3.044 302 HA PRO 41 HA PRO 41 0.592 -21.051 5.668 303 HB2 PRO 41 2HB PRO 41 2.019 -19.393 7.680 304 HB3 PRO 41 1HB PRO 41 1.947 -21.151 7.518 305 HG2 PRO 41 2HG PRO 41 4.146 -19.809 6.840 306 HG3 PRO 41 1HG PRO 41 3.596 -21.201 5.892 307 HD2 PRO 41 2HD PRO 41 3.351 -18.283 5.293 308 HD3 PRO 41 1HD PRO 41 3.691 -19.635 4.193 309 H ARG 42 HN ARG 42 -1.493 -20.506 5.745 310 HA ARG 42 HA ARG 42 -2.486 -17.930 6.170 311 HB2 ARG 42 2HB ARG 42 -4.682 -19.229 6.755 312 HB3 ARG 42 1HB ARG 42 -4.058 -19.195 5.117 313 HG2 ARG 42 2HG ARG 42 -4.738 -21.396 5.506 314 HG3 ARG 42 1HG ARG 42 -2.983 -21.424 5.618 315 HD2 ARG 42 2HD ARG 42 -3.096 -21.455 8.027 316 HD3 ARG 42 1HD ARG 42 -4.851 -21.278 7.975 317 HE ARG 42 HE ARG 42 -4.481 -23.510 6.531 318 HH11 ARG 42 1HH1 ARG 42 -3.286 -22.536 9.679 319 HH12 ARG 42 2HH1 ARG 42 -3.187 -24.162 10.288 320 HH21 ARG 42 1HH2 ARG 42 -4.340 -25.637 7.326 321 HH22 ARG 42 2HH2 ARG 42 -3.770 -25.923 8.938 322 H GLY 43 HN GLY 43 -1.540 -20.363 8.465 323 HA2 GLY 43 2HA GLY 43 -2.867 -19.497 10.751 324 HA3 GLY 43 1HA GLY 43 -1.252 -20.191 10.737 325 H VAL 44 HN VAL 44 0.084 -18.181 9.264 326 HA VAL 44 HA VAL 44 0.477 -16.154 11.228 327 HB VAL 44 HB VAL 44 1.393 -16.180 8.343 328 HG11 VAL 44 1HG1 VAL 44 3.080 -14.579 9.063 329 HG12 VAL 44 2HG1 VAL 44 2.411 -14.588 10.693 330 HG13 VAL 44 3HG1 VAL 44 1.458 -13.952 9.353 331 HG21 VAL 44 3HG2 VAL 44 2.791 -17.122 10.846 332 HG22 VAL 44 1HG2 VAL 44 3.536 -16.990 9.253 333 HG23 VAL 44 2HG2 VAL 44 2.218 -18.130 9.519 334 H LEU 45 HN LEU 45 -1.150 -16.284 8.108 335 HA LEU 45 HA LEU 45 -1.750 -13.573 7.804 336 HB2 LEU 45 2HB LEU 45 -3.206 -16.014 6.799 337 HB3 LEU 45 1HB LEU 45 -3.576 -14.377 6.291 338 HG LEU 45 HG LEU 45 -0.920 -15.755 5.876 339 HD11 LEU 45 1HD1 LEU 45 -2.685 -16.769 4.537 340 HD12 LEU 45 2HD1 LEU 45 -1.578 -15.840 3.523 341 HD13 LEU 45 3HD1 LEU 45 -3.161 -15.178 3.942 342 HD21 LEU 45 3HD2 LEU 45 -0.744 -13.330 6.093 343 HD22 LEU 45 1HD2 LEU 45 -1.990 -13.123 4.862 344 HD23 LEU 45 2HD2 LEU 45 -0.436 -13.843 4.432 345 H THR 46 HN THR 46 -3.657 -16.171 9.315 346 HA THR 46 HA THR 46 -5.940 -14.650 9.877 347 HB THR 46 HB THR 46 -4.838 -16.973 11.475 348 HG1 THR 46 1HG THR 46 -6.400 -18.127 10.071 349 HG21 THR 46 3HG2 THR 46 -6.620 -15.777 12.650 350 HG22 THR 46 1HG2 THR 46 -7.182 -17.354 12.098 351 HG23 THR 46 2HG2 THR 46 -7.651 -15.897 11.225 352 H VAL 47 HN VAL 47 -2.994 -15.163 11.810 353 HA VAL 47 HA VAL 47 -3.831 -13.710 14.086 354 HB VAL 47 HB VAL 47 -1.018 -14.098 13.037 355 HG11 VAL 47 1HG1 VAL 47 -1.141 -12.294 14.677 356 HG12 VAL 47 2HG1 VAL 47 -0.313 -13.701 15.350 357 HG13 VAL 47 3HG1 VAL 47 -1.984 -13.363 15.801 358 HG21 VAL 47 3HG2 VAL 47 -0.907 -15.976 14.597 359 HG22 VAL 47 1HG2 VAL 47 -2.178 -16.213 13.398 360 HG23 VAL 47 2HG2 VAL 47 -2.595 -15.712 15.036 361 H PHE 48 HN PHE 48 -2.226 -12.778 11.103 362 HA PHE 48 HA PHE 48 -1.751 -10.064 11.790 363 HB2 PHE 48 2HB PHE 48 -0.623 -11.394 9.956 364 HB3 PHE 48 1HB PHE 48 -2.107 -11.243 9.026 365 HD1 PHE 48 2HD PHE 48 0.552 -9.252 10.670 366 HD2 PHE 48 1HD PHE 48 -2.459 -9.391 7.668 367 HE1 PHE 48 2HE PHE 48 1.358 -7.111 9.768 368 HE2 PHE 48 1HE PHE 48 -1.657 -7.252 6.760 369 HZ PHE 48 HZ PHE 48 0.253 -6.108 7.812 370 H ARG 49 HN ARG 49 -4.423 -11.810 10.360 371 HA ARG 49 HA ARG 49 -5.878 -9.529 9.491 372 HB2 ARG 49 2HB ARG 49 -6.306 -12.459 9.671 373 HB3 ARG 49 1HB ARG 49 -7.717 -11.438 9.500 374 HG2 ARG 49 2HG ARG 49 -5.355 -11.287 7.656 375 HG3 ARG 49 1HG ARG 49 -6.747 -12.333 7.366 376 HD2 ARG 49 2HD ARG 49 -6.963 -9.360 7.788 377 HD3 ARG 49 1HD ARG 49 -6.807 -10.108 6.198 378 HE ARG 49 HE ARG 49 -8.901 -11.434 7.203 379 HH11 ARG 49 1HH1 ARG 49 -8.190 -8.005 7.121 380 HH12 ARG 49 2HH1 ARG 49 -9.854 -7.523 7.044 381 HH21 ARG 49 1HH2 ARG 49 -11.088 -10.821 7.074 382 HH22 ARG 49 2HH2 ARG 49 -11.516 -9.132 7.002 383 H PHE 50 HN PHE 50 -5.552 -11.118 12.530 384 HA PHE 50 HA PHE 50 -8.011 -10.279 13.673 385 HB2 PHE 50 2HB PHE 50 -5.366 -11.118 14.834 386 HB3 PHE 50 1HB PHE 50 -6.688 -10.577 15.849 387 HD1 PHE 50 2HD PHE 50 -9.006 -11.785 14.502 388 HD2 PHE 50 1HD PHE 50 -5.140 -13.376 15.297 389 HE1 PHE 50 2HE PHE 50 -9.944 -14.059 14.491 390 HE2 PHE 50 1HE PHE 50 -6.072 -15.654 15.287 391 HZ PHE 50 HZ PHE 50 -8.477 -15.997 14.885 392 H ALA 51 HN ALA 51 -4.951 -8.770 13.099 393 HA ALA 51 HA ALA 51 -5.477 -6.565 14.898 394 HB1 ALA 51 1HB ALA 51 -3.182 -7.019 12.990 395 HB2 ALA 51 2HB ALA 51 -3.196 -7.442 14.703 396 HB3 ALA 51 3HB ALA 51 -3.283 -5.750 14.211 397 H ARG 52 HN ARG 52 -5.402 -4.365 14.120 398 HA ARG 52 HA ARG 52 -6.924 -3.979 11.707 399 HB2 ARG 52 2HB ARG 52 -5.885 -2.051 13.783 400 HB3 ARG 52 1HB ARG 52 -6.968 -1.641 12.473 401 HG2 ARG 52 2HG ARG 52 -8.680 -3.076 13.371 402 HG3 ARG 52 1HG ARG 52 -7.586 -3.622 14.643 403 HD2 ARG 52 2HD ARG 52 -7.453 -1.265 15.435 404 HD3 ARG 52 1HD ARG 52 -8.690 -0.849 14.249 405 HE ARG 52 HE ARG 52 -9.927 -2.792 15.552 406 HH11 ARG 52 1HH1 ARG 52 -8.052 -0.106 16.791 407 HH12 ARG 52 2HH1 ARG 52 -8.940 -0.014 18.287 408 HH21 ARG 52 1HH2 ARG 52 -11.067 -2.704 17.530 409 HH22 ARG 52 2HH2 ARG 52 -10.636 -1.511 18.720 410 HA PRO 53 HA PRO 53 -3.700 -2.949 8.902 411 HB2 PRO 53 2HB PRO 53 -4.493 -0.329 8.207 412 HB3 PRO 53 1HB PRO 53 -4.861 -1.825 7.350 413 HG2 PRO 53 2HG PRO 53 -6.525 -0.266 9.235 414 HG3 PRO 53 1HG PRO 53 -7.021 -1.316 7.898 415 HD2 PRO 53 2HD PRO 53 -7.281 -2.044 10.483 416 HD3 PRO 53 1HD PRO 53 -6.938 -3.218 9.196 417 H SER 54 HN SER 54 -1.756 -2.559 9.605 418 HA SER 54 HA SER 54 -1.120 0.062 10.708 419 HB2 SER 54 2HB SER 54 -0.152 -2.666 11.522 420 HB3 SER 54 1HB SER 54 0.658 -1.190 11.981 421 HG SER 54 HG SER 54 -1.413 -0.525 12.904 422 H TYR 55 HN TYR 55 -0.997 -1.638 8.093 423 HA TYR 55 HA TYR 55 1.840 -1.477 7.485 424 HB2 TYR 55 2HB TYR 55 0.775 -2.387 5.191 425 HB3 TYR 55 1HB TYR 55 1.180 -3.439 6.542 426 HD1 TYR 55 1HD TYR 55 -1.565 -1.858 4.677 427 HD2 TYR 55 2HD TYR 55 -0.549 -4.447 7.895 428 HE1 TYR 55 1HE TYR 55 -3.899 -2.627 4.794 429 HE2 TYR 55 2HE TYR 55 -2.875 -5.221 8.017 430 HH TYR 55 HH TYR 55 -5.170 -4.582 5.605 431 H GLU 56 HN GLU 56 2.727 0.102 6.360 432 HA GLU 56 HA GLU 56 0.966 1.979 4.949 433 HB2 GLU 56 2HB GLU 56 3.209 2.712 6.843 434 HB3 GLU 56 1HB GLU 56 2.284 3.851 5.873 435 HG2 GLU 56 2HG GLU 56 0.273 3.322 7.072 436 HG3 GLU 56 1HG GLU 56 1.092 2.040 7.961 437 H VAL 57 HN VAL 57 1.954 3.153 3.261 438 HA VAL 57 HA VAL 57 4.512 2.026 2.321 439 HB VAL 57 HB VAL 57 2.138 2.784 0.599 440 HG11 VAL 57 1HG1 VAL 57 4.789 1.560 -0.151 441 HG12 VAL 57 2HG1 VAL 57 4.263 3.206 -0.503 442 HG13 VAL 57 3HG1 VAL 57 3.433 1.841 -1.244 443 HG21 VAL 57 3HG2 VAL 57 1.940 0.410 0.102 444 HG22 VAL 57 1HG2 VAL 57 1.739 0.712 1.827 445 HG23 VAL 57 2HG2 VAL 57 3.259 0.056 1.218 446 H PHE 58 HN PHE 58 6.022 3.550 1.996 447 HA PHE 58 HA PHE 58 5.267 6.205 1.133 448 HB2 PHE 58 2HB PHE 58 6.532 7.292 3.006 449 HB3 PHE 58 1HB PHE 58 5.032 6.519 3.495 450 HD1 PHE 58 2HD PHE 58 8.685 6.388 3.672 451 HD2 PHE 58 1HD PHE 58 5.039 4.580 4.921 452 HE1 PHE 58 2HE PHE 58 9.904 5.132 5.401 453 HE2 PHE 58 1HE PHE 58 6.250 3.323 6.654 454 HZ PHE 58 HZ PHE 58 8.687 3.596 6.895 455 H VAL 59 HN VAL 59 6.985 7.444 0.351 456 HA VAL 59 HA VAL 59 9.586 6.089 0.110 457 HB VAL 59 HB VAL 59 9.789 7.018 -2.202 458 HG11 VAL 59 1HG1 VAL 59 7.501 5.100 -1.767 459 HG12 VAL 59 2HG1 VAL 59 9.212 4.677 -1.857 460 HG13 VAL 59 3HG1 VAL 59 8.387 5.321 -3.276 461 HG21 VAL 59 3HG2 VAL 59 8.111 8.781 -2.067 462 HG22 VAL 59 1HG2 VAL 59 6.837 7.574 -1.888 463 HG23 VAL 59 2HG2 VAL 59 7.746 7.680 -3.394 464 H ASP 60 HN ASP 60 11.385 7.434 0.136 465 HA ASP 60 HA ASP 60 10.828 10.213 0.940 466 HB2 ASP 60 2HB ASP 60 11.961 8.849 2.642 467 HB3 ASP 60 1HB ASP 60 13.241 8.472 1.497 468 H LEU 61 HN LEU 61 10.972 11.480 -0.776 469 HA LEU 61 HA LEU 61 13.363 11.283 -2.491 470 HB2 LEU 61 2HB LEU 61 10.551 11.917 -3.414 471 HB3 LEU 61 1HB LEU 61 11.983 11.911 -4.424 472 HG LEU 61 HG LEU 61 10.900 9.460 -3.033 473 HD11 LEU 61 1HD1 LEU 61 9.298 10.287 -4.668 474 HD12 LEU 61 2HD1 LEU 61 10.057 8.796 -5.227 475 HD13 LEU 61 3HD1 LEU 61 10.564 10.351 -5.894 476 HD21 LEU 61 3HD2 LEU 61 12.363 8.278 -4.618 477 HD22 LEU 61 1HD2 LEU 61 13.267 9.327 -3.525 478 HD23 LEU 61 2HD2 LEU 61 12.975 9.829 -5.190 479 H THR 62 HN THR 62 14.509 13.081 -2.103 480 HA THR 62 HA THR 62 13.043 15.500 -1.337 481 HB THR 62 HB THR 62 15.410 16.149 -0.448 482 HG1 THR 62 1HG THR 62 16.819 14.594 -0.780 483 HG21 THR 62 3HG2 THR 62 14.889 15.038 1.690 484 HG22 THR 62 1HG2 THR 62 13.701 14.027 0.863 485 HG23 THR 62 2HG2 THR 62 13.455 15.770 0.966 486 H GLU 63 HN GLU 63 15.581 14.334 -3.523 487 HA GLU 63 HA GLU 63 15.649 17.020 -4.723 488 HB2 GLU 63 2HB GLU 63 17.680 14.808 -4.739 489 HB3 GLU 63 1HB GLU 63 17.793 16.204 -5.780 490 HG2 GLU 63 2HG GLU 63 17.827 17.628 -3.806 491 HG3 GLU 63 1HG GLU 63 17.784 16.195 -2.799 492 H ALA 64 HN ALA 64 14.879 13.715 -5.302 493 HA ALA 64 HA ALA 64 14.955 13.606 -8.093 494 HB1 ALA 64 1HB ALA 64 13.410 11.755 -7.893 495 HB2 ALA 64 2HB ALA 64 13.005 12.240 -6.246 496 HB3 ALA 64 3HB ALA 64 14.629 11.663 -6.622 497 H GLY 65 HN GLY 65 13.907 14.852 -9.534 498 HA2 GLY 65 2HA GLY 65 11.230 15.814 -8.831 499 HA3 GLY 65 1HA GLY 65 12.467 16.988 -9.211 500 H GLU 66 HN GLU 66 13.393 16.886 -11.352 501 HA GLU 66 HA GLU 66 11.487 17.397 -13.222 502 HB2 GLU 66 2HB GLU 66 14.308 16.514 -13.762 503 HB3 GLU 66 1HB GLU 66 13.264 17.326 -14.912 504 HG2 GLU 66 2HG GLU 66 13.125 19.235 -13.298 505 HG3 GLU 66 1HG GLU 66 14.389 18.436 -12.360 506 H GLY 67 HN GLY 67 10.666 16.448 -15.040 507 HA2 GLY 67 2HA GLY 67 9.690 14.746 -16.225 508 HA3 GLY 67 1HA GLY 67 11.045 13.732 -15.740 509 H SER 68 HN SER 68 10.205 11.989 -14.897 510 HA SER 68 HA SER 68 8.852 12.370 -12.359 511 HB2 SER 68 2HB SER 68 7.166 11.693 -14.100 512 HB3 SER 68 1HB SER 68 8.026 10.169 -14.259 513 HG SER 68 HG SER 68 6.127 10.573 -12.613 514 H HIS 69 HN HIS 69 9.391 10.764 -10.828 515 HA HIS 69 HA HIS 69 11.874 9.398 -11.626 516 HB2 HIS 69 2HB HIS 69 11.863 11.309 -9.843 517 HB3 HIS 69 1HB HIS 69 11.280 10.041 -8.767 518 HD1 HIS 69 1HD HIS 69 12.986 8.407 -7.880 519 HD2 HIS 69 2HD HIS 69 14.473 10.793 -10.939 520 HE1 HIS 69 1HE HIS 69 15.455 7.929 -7.973 521 HE2 HIS 69 2HE HIS 69 16.357 9.486 -9.740 522 H THR 70 HN THR 70 11.897 7.314 -11.625 523 HA THR 70 HA THR 70 9.771 5.863 -10.212 524 HB THR 70 HB THR 70 11.516 4.913 -12.496 525 HG1 THR 70 1HG THR 70 9.556 6.665 -12.556 526 HG21 THR 70 3HG2 THR 70 10.590 3.102 -11.146 527 HG22 THR 70 1HG2 THR 70 9.819 3.157 -12.731 528 HG23 THR 70 2HG2 THR 70 8.975 3.787 -11.317 529 H VAL 71 HN VAL 71 10.374 4.934 -8.361 530 HA VAL 71 HA VAL 71 13.081 3.770 -8.169 531 HB VAL 71 HB VAL 71 13.028 4.263 -5.720 532 HG11 VAL 71 1HG1 VAL 71 14.287 5.687 -7.248 533 HG12 VAL 71 2HG1 VAL 71 13.616 6.622 -5.913 534 HG13 VAL 71 3HG1 VAL 71 12.858 6.685 -7.503 535 HG21 VAL 71 3HG2 VAL 71 10.640 5.953 -6.457 536 HG22 VAL 71 1HG2 VAL 71 11.475 5.988 -4.903 537 HG23 VAL 71 2HG2 VAL 71 10.637 4.526 -5.420 538 H ASP 72 HN ASP 72 13.224 1.999 -6.518 539 HA ASP 72 HA ASP 72 10.806 0.383 -6.564 540 HB2 ASP 72 2HB ASP 72 12.103 -1.432 -5.728 541 HB3 ASP 72 1HB ASP 72 13.096 -0.626 -6.932 542 H VAL 73 HN VAL 73 9.628 -0.221 -4.745 543 HA VAL 73 HA VAL 73 9.786 1.860 -2.680 544 HB VAL 73 HB VAL 73 7.427 0.149 -3.479 545 HG11 VAL 73 1HG1 VAL 73 7.316 0.895 -1.157 546 HG12 VAL 73 2HG1 VAL 73 6.098 1.696 -2.151 547 HG13 VAL 73 3HG1 VAL 73 7.559 2.562 -1.680 548 HG21 VAL 73 3HG2 VAL 73 8.057 1.651 -5.269 549 HG22 VAL 73 1HG2 VAL 73 8.085 3.012 -4.147 550 HG23 VAL 73 2HG2 VAL 73 6.562 2.203 -4.512 551 H GLU 74 HN GLU 74 10.190 1.403 -0.649 552 HA GLU 74 HA GLU 74 10.239 -1.345 0.291 553 HB2 GLU 74 2HB GLU 74 10.928 1.261 1.668 554 HB3 GLU 74 1HB GLU 74 11.099 -0.331 2.397 555 HG2 GLU 74 2HG GLU 74 12.739 -0.950 0.733 556 HG3 GLU 74 1HG GLU 74 12.525 0.597 -0.084 557 H HIS 75 HN HIS 75 9.003 -2.025 2.160 558 HA HIS 75 HA HIS 75 6.530 -0.449 2.480 559 HB2 HIS 75 2HB HIS 75 6.751 -3.466 2.439 560 HB3 HIS 75 1HB HIS 75 5.273 -2.543 2.664 561 HD1 HIS 75 1HD HIS 75 7.344 -4.091 0.122 562 HD2 HIS 75 2HD HIS 75 4.556 -1.000 0.249 563 HE1 HIS 75 1HE HIS 75 6.640 -3.707 -2.267 564 HE2 HIS 75 2HE HIS 75 5.031 -1.771 -2.175 565 H ARG 76 HN ARG 76 5.498 -0.548 4.514 566 HA ARG 76 HA ARG 76 7.111 -1.722 6.676 567 HB2 ARG 76 2HB ARG 76 6.272 1.046 6.292 568 HB3 ARG 76 1HB ARG 76 5.765 0.402 7.847 569 HG2 ARG 76 2HG ARG 76 8.581 0.459 6.778 570 HG3 ARG 76 1HG ARG 76 7.911 1.496 8.042 571 HD2 ARG 76 2HD ARG 76 7.399 -0.595 9.338 572 HD3 ARG 76 1HD ARG 76 8.325 -1.488 8.137 573 HE ARG 76 HE ARG 76 10.202 0.149 8.843 574 HH11 ARG 76 1HH1 ARG 76 7.702 -1.126 10.949 575 HH12 ARG 76 2HH1 ARG 76 8.707 -1.117 12.366 576 HH21 ARG 76 1HH2 ARG 76 11.543 0.145 10.724 577 HH22 ARG 76 2HH2 ARG 76 10.880 -0.412 12.237 578 H GLY 77 HN GLY 77 5.821 -2.059 8.696 579 HA2 GLY 77 2HA GLY 77 3.740 -2.601 9.722 580 HA3 GLY 77 1HA GLY 77 3.012 -2.681 8.122 581 H PHE 78 HN PHE 78 3.896 -4.423 6.684 582 HA PHE 78 HA PHE 78 4.151 -6.885 8.239 583 HB2 PHE 78 2HB PHE 78 3.629 -8.014 6.070 584 HB3 PHE 78 1HB PHE 78 2.361 -6.923 6.615 585 HD1 PHE 78 2HD PHE 78 1.978 -4.793 5.467 586 HD2 PHE 78 1HD PHE 78 4.867 -7.587 4.061 587 HE1 PHE 78 2HE PHE 78 2.049 -3.625 3.303 588 HE2 PHE 78 1HE PHE 78 4.945 -6.420 1.897 589 HZ PHE 78 HZ PHE 78 3.533 -4.438 1.514 590 HA PRO 79 HA PRO 79 8.376 -7.273 6.876 591 HB2 PRO 79 2HB PRO 79 8.923 -9.660 7.935 592 HB3 PRO 79 1HB PRO 79 8.598 -8.261 8.966 593 HG2 PRO 79 2HG PRO 79 6.834 -10.566 8.287 594 HG3 PRO 79 1HG PRO 79 6.976 -9.667 9.807 595 HD2 PRO 79 2HD PRO 79 5.011 -9.294 7.836 596 HD3 PRO 79 1HD PRO 79 5.373 -8.190 9.175 597 H GLY 80 HN GLY 80 9.778 -9.129 5.855 598 HA2 GLY 80 2HA GLY 80 8.304 -9.982 3.481 599 HA3 GLY 80 1HA GLY 80 10.052 -9.932 3.657 600 H ASP 81 HN ASP 81 7.974 -11.401 6.042 601 HA ASP 81 HA ASP 81 9.356 -13.895 5.842 602 HB2 ASP 81 2HB ASP 81 8.576 -13.109 8.009 603 HB3 ASP 81 1HB ASP 81 6.915 -13.118 7.434 604 H LEU 82 HN LEU 82 6.210 -12.692 4.926 605 HA LEU 82 HA LEU 82 5.435 -15.272 3.815 606 HB2 LEU 82 2HB LEU 82 3.920 -12.663 3.979 607 HB3 LEU 82 1HB LEU 82 3.260 -14.195 3.449 608 HG LEU 82 HG LEU 82 4.316 -13.695 6.232 609 HD11 LEU 82 1HD1 LEU 82 2.383 -12.292 5.854 610 HD12 LEU 82 2HD1 LEU 82 1.943 -13.646 6.897 611 HD13 LEU 82 3HD1 LEU 82 1.487 -13.660 5.195 612 HD21 LEU 82 3HD2 LEU 82 4.380 -16.030 5.550 613 HD22 LEU 82 1HD2 LEU 82 2.687 -15.947 5.059 614 HD23 LEU 82 2HD2 LEU 82 3.123 -15.768 6.759 615 H ALA 83 HN ALA 83 4.263 -15.049 1.586 616 HA ALA 83 HA ALA 83 6.148 -13.859 -0.250 617 HB1 ALA 83 1HB ALA 83 3.555 -15.314 -0.788 618 HB2 ALA 83 2HB ALA 83 5.164 -16.030 -0.783 619 HB3 ALA 83 3HB ALA 83 4.735 -14.836 -2.008 620 H VAL 84 HN VAL 84 6.073 -11.745 -0.549 621 HA VAL 84 HA VAL 84 3.550 -10.320 -0.194 622 HB VAL 84 HB VAL 84 6.354 -9.245 -0.569 623 HG11 VAL 84 1HG1 VAL 84 3.789 -7.845 0.185 624 HG12 VAL 84 2HG1 VAL 84 4.711 -7.636 -1.306 625 HG13 VAL 84 3HG1 VAL 84 5.395 -7.120 0.235 626 HG21 VAL 84 3HG2 VAL 84 6.178 -10.449 1.520 627 HG22 VAL 84 1HG2 VAL 84 4.696 -9.587 1.928 628 HG23 VAL 84 2HG2 VAL 84 6.226 -8.716 1.841 629 H THR 85 HN THR 85 2.341 -9.821 -1.871 630 HA THR 85 HA THR 85 3.634 -9.580 -4.505 631 HB THR 85 HB THR 85 0.729 -10.225 -4.103 632 HG1 THR 85 1HG THR 85 2.255 -11.801 -3.091 633 HG21 THR 85 3HG2 THR 85 1.429 -9.476 -6.326 634 HG22 THR 85 1HG2 THR 85 0.941 -11.171 -6.355 635 HG23 THR 85 2HG2 THR 85 2.652 -10.747 -6.370 636 H VAL 86 HN VAL 86 3.317 -7.752 -5.572 637 HA VAL 86 HA VAL 86 1.380 -5.770 -4.609 638 HB VAL 86 HB VAL 86 3.885 -4.542 -5.471 639 HG11 VAL 86 1HG1 VAL 86 3.588 -3.256 -3.373 640 HG12 VAL 86 2HG1 VAL 86 2.260 -4.330 -2.927 641 HG13 VAL 86 3HG1 VAL 86 2.125 -3.308 -4.359 642 HG21 VAL 86 3HG2 VAL 86 5.210 -5.020 -3.439 643 HG22 VAL 86 1HG2 VAL 86 5.011 -6.420 -4.492 644 HG23 VAL 86 2HG2 VAL 86 4.058 -6.285 -3.011 645 H GLU 87 HN GLU 87 0.919 -4.136 -6.448 646 HA GLU 87 HA GLU 87 3.052 -4.491 -8.433 647 HB2 GLU 87 2HB GLU 87 1.086 -5.680 -9.324 648 HB3 GLU 87 1HB GLU 87 0.149 -4.199 -9.207 649 HG2 GLU 87 2HG GLU 87 0.760 -4.410 -11.461 650 HG3 GLU 87 1HG GLU 87 1.801 -3.158 -10.789 651 HA PRO 88 HA PRO 88 3.994 -1.308 -9.667 652 HB2 PRO 88 2HB PRO 88 5.349 0.297 -7.970 653 HB3 PRO 88 1HB PRO 88 3.663 0.593 -8.377 654 HG2 PRO 88 2HG PRO 88 4.767 -0.205 -5.817 655 HG3 PRO 88 1HG PRO 88 3.081 0.182 -6.203 656 HD2 PRO 88 2HD PRO 88 4.442 -2.478 -6.138 657 HD3 PRO 88 1HD PRO 88 2.733 -2.076 -5.830 658 H ARG 89 HN ARG 89 5.891 -2.220 -10.402 659 HA ARG 89 HA ARG 89 7.383 -3.780 -8.427 660 HB2 ARG 89 2HB ARG 89 7.725 -3.652 -11.438 661 HB3 ARG 89 1HB ARG 89 8.576 -4.756 -10.352 662 HG2 ARG 89 2HG ARG 89 6.322 -5.540 -9.571 663 HG3 ARG 89 1HG ARG 89 5.631 -4.628 -10.907 664 HD2 ARG 89 2HD ARG 89 7.040 -5.947 -12.453 665 HD3 ARG 89 1HD ARG 89 7.549 -6.939 -11.087 666 HE ARG 89 HE ARG 89 4.698 -6.668 -11.795 667 HH11 ARG 89 1HH1 ARG 89 7.511 -8.679 -11.176 668 HH12 ARG 89 2HH1 ARG 89 6.598 -10.164 -11.185 669 HH21 ARG 89 1HH2 ARG 89 3.516 -8.604 -11.791 670 HH22 ARG 89 2HH2 ARG 89 4.324 -10.117 -11.522 671 H MET 90 HN MET 90 7.568 -1.059 -10.474 672 HA MET 90 HA MET 90 9.349 0.155 -8.519 673 HB2 MET 90 2HB MET 90 9.708 0.419 -11.525 674 HB3 MET 90 1HB MET 90 10.470 1.473 -10.346 675 HG2 MET 90 2HG MET 90 11.639 -0.471 -9.396 676 HG3 MET 90 1HG MET 90 10.915 -1.487 -10.639 677 HE1 MET 90 3HE MET 90 12.282 2.204 -10.946 678 HE2 MET 90 1HE MET 90 13.937 1.905 -11.480 679 HE3 MET 90 2HE MET 90 13.432 1.418 -9.862 680 H ALA 91 HN ALA 91 8.800 2.460 -8.284 681 HA ALA 91 HA ALA 91 6.060 2.890 -9.303 682 HB1 ALA 91 1HB ALA 91 5.514 3.968 -7.189 683 HB2 ALA 91 2HB ALA 91 7.154 3.674 -6.608 684 HB3 ALA 91 3HB ALA 91 6.077 2.316 -6.932 685 H ARG 92 HN ARG 92 5.342 5.049 -9.520 686 HA ARG 92 HA ARG 92 7.545 6.743 -10.475 687 HB2 ARG 92 2HB ARG 92 6.161 5.639 -12.206 688 HB3 ARG 92 1HB ARG 92 4.745 6.462 -11.576 689 HG2 ARG 92 2HG ARG 92 5.877 8.618 -12.094 690 HG3 ARG 92 1HG ARG 92 7.149 7.691 -12.892 691 HD2 ARG 92 2HD ARG 92 4.220 7.663 -13.614 692 HD3 ARG 92 1HD ARG 92 5.494 8.502 -14.496 693 HE ARG 92 HE ARG 92 6.465 6.144 -14.768 694 HH11 ARG 92 1HH1 ARG 92 3.036 6.784 -14.483 695 HH12 ARG 92 2HH1 ARG 92 2.572 5.483 -15.545 696 HH21 ARG 92 1HH2 ARG 92 5.871 4.430 -16.146 697 HH22 ARG 92 2HH2 ARG 92 4.192 4.134 -16.473 698 H VAL 93 HN VAL 93 7.702 8.674 -9.606 699 HA VAL 93 HA VAL 93 5.317 10.078 -8.633 700 HB VAL 93 HB VAL 93 7.895 9.881 -7.051 701 HG11 VAL 93 1HG1 VAL 93 5.318 11.327 -6.443 702 HG12 VAL 93 2HG1 VAL 93 6.871 12.067 -6.824 703 HG13 VAL 93 3HG1 VAL 93 6.673 11.153 -5.330 704 HG21 VAL 93 3HG2 VAL 93 6.591 7.826 -6.879 705 HG22 VAL 93 1HG2 VAL 93 5.166 8.761 -6.427 706 HG23 VAL 93 2HG2 VAL 93 6.568 8.719 -5.357 707 H GLN 94 HN GLN 94 5.278 12.173 -9.292 708 HA GLN 94 HA GLN 94 7.779 13.284 -10.383 709 HB2 GLN 94 2HB GLN 94 6.101 13.067 -12.108 710 HB3 GLN 94 1HB GLN 94 4.908 13.890 -11.111 711 HG2 GLN 94 2HG GLN 94 6.214 15.941 -11.225 712 HG3 GLN 94 1HG GLN 94 7.433 15.124 -12.191 713 HE21 GLN 94 1HE2 GLN 94 7.204 16.527 -13.875 714 HE22 GLN 94 2HE2 GLN 94 5.816 16.541 -14.906 715 H LEU 95 HN LEU 95 8.673 14.809 -9.235 716 HA LEU 95 HA LEU 95 6.973 16.574 -7.602 717 HB2 LEU 95 2HB LEU 95 9.859 15.782 -7.185 718 HB3 LEU 95 1HB LEU 95 9.001 16.962 -6.218 719 HG LEU 95 HG LEU 95 8.317 14.028 -6.403 720 HD11 LEU 95 1HD1 LEU 95 9.108 13.934 -4.089 721 HD12 LEU 95 2HD1 LEU 95 9.611 15.622 -4.197 722 HD13 LEU 95 3HD1 LEU 95 10.394 14.401 -5.204 723 HD21 LEU 95 3HD2 LEU 95 6.348 15.420 -6.023 724 HD22 LEU 95 1HD2 LEU 95 7.160 16.208 -4.669 725 HD23 LEU 95 2HD2 LEU 95 6.761 14.491 -4.580 726 H GLU 96 HN GLU 96 6.939 18.658 -8.206 727 HA GLU 96 HA GLU 96 9.164 19.672 -9.816 728 HB2 GLU 96 2HB GLU 96 7.289 18.797 -11.284 729 HB3 GLU 96 1HB GLU 96 6.292 20.091 -10.637 730 HG2 GLU 96 2HG GLU 96 7.609 21.752 -11.639 731 HG3 GLU 96 1HG GLU 96 8.921 20.624 -11.974 732 H GLU 97 HN GLU 97 9.496 21.876 -9.686 733 HA GLU 97 HA GLU 97 8.984 22.994 -7.180 734 HB2 GLU 97 2HB GLU 97 10.931 23.614 -8.442 735 HB3 GLU 97 1HB GLU 97 9.941 24.249 -9.748 736 HG2 GLU 97 2HG GLU 97 9.094 25.984 -8.205 737 HG3 GLU 97 1HG GLU 97 10.195 25.377 -6.971 738 H ARG 98 HN ARG 98 7.284 23.912 -6.381 739 HA ARG 98 HA ARG 98 5.493 25.209 -6.038 740 HB2 ARG 98 2HB ARG 98 6.742 26.901 -7.248 741 HB3 ARG 98 1HB ARG 98 6.127 26.291 -8.769 742 HG2 ARG 98 2HG ARG 98 4.950 28.302 -8.136 743 HG3 ARG 98 1HG ARG 98 3.851 26.924 -8.063 744 HD2 ARG 98 2HD ARG 98 3.614 28.447 -6.131 745 HD3 ARG 98 1HD ARG 98 4.081 26.813 -5.662 746 HE ARG 98 HE ARG 98 6.255 28.716 -5.996 747 HH11 ARG 98 1HH1 ARG 98 4.083 27.069 -3.794 748 HH12 ARG 98 2HH1 ARG 98 5.020 27.457 -2.381 749 HH21 ARG 98 1HH2 ARG 98 7.520 29.154 -4.168 750 HH22 ARG 98 2HH2 ARG 98 6.997 28.617 -2.592 751 H GLN 99 HN GLN 99 3.332 25.096 -6.243 752 HA GLN 99 HA GLN 99 2.077 22.984 -7.472 753 HB2 GLN 99 2HB GLN 99 0.978 24.142 -5.717 754 HB3 GLN 99 1HB GLN 99 1.055 25.670 -6.578 755 HG2 GLN 99 2HG GLN 99 -0.577 24.941 -8.152 756 HG3 GLN 99 1HG GLN 99 -0.561 23.310 -7.484 757 HE21 GLN 99 1HE2 GLN 99 -0.423 24.190 -4.736 758 HE22 GLN 99 2HE2 GLN 99 -1.986 24.818 -4.332 759 H THR 100 HN THR 100 1.408 22.525 -9.447 760 HA THR 100 HA THR 100 1.972 24.441 -11.565 761 HB THR 100 HB THR 100 1.617 22.453 -13.070 762 HG1 THR 100 1HG THR 100 1.268 21.192 -10.539 763 HG21 THR 100 3HG2 THR 100 3.660 22.135 -10.866 764 HG22 THR 100 1HG2 THR 100 3.855 23.104 -12.327 765 HG23 THR 100 2HG2 THR 100 3.715 21.349 -12.442 766 H VAL 101 HN VAL 101 0.291 23.521 -13.563 767 HA VAL 101 HA VAL 101 -2.023 25.054 -13.138 768 HB VAL 101 HB VAL 101 -1.622 22.914 -15.233 769 HG11 VAL 101 1HG1 VAL 101 -3.201 24.233 -16.556 770 HG12 VAL 101 2HG1 VAL 101 -3.404 25.347 -15.203 771 HG13 VAL 101 3HG1 VAL 101 -3.926 23.669 -15.051 772 HG21 VAL 101 3HG2 VAL 101 -0.849 25.827 -15.270 773 HG22 VAL 101 1HG2 VAL 101 -0.828 24.759 -16.673 774 HG23 VAL 101 2HG2 VAL 101 0.241 24.440 -15.308 775 H SER 102 HN SER 102 -3.996 24.578 -12.359 776 HA SER 102 HA SER 102 -4.360 21.996 -11.114 777 HB2 SER 102 2HB SER 102 -6.163 24.428 -11.140 778 HB3 SER 102 1HB SER 102 -6.360 23.009 -10.113 779 HG SER 102 HG SER 102 -4.126 24.777 -10.104 780 H VAL 103 HN VAL 103 -4.532 20.715 -13.024 781 HA VAL 103 HA VAL 103 -7.172 20.940 -14.303 782 HB VAL 103 HB VAL 103 -5.505 21.296 -15.981 783 HG11 VAL 103 1HG1 VAL 103 -4.219 18.704 -15.130 784 HG12 VAL 103 2HG1 VAL 103 -3.585 20.320 -14.820 785 HG13 VAL 103 3HG1 VAL 103 -3.714 19.727 -16.475 786 HG21 VAL 103 3HG2 VAL 103 -5.945 19.440 -17.525 787 HG22 VAL 103 1HG2 VAL 103 -7.402 19.944 -16.668 788 HG23 VAL 103 2HG2 VAL 103 -6.556 18.475 -16.180 789 HA PRO 104 HA PRO 104 -7.616 17.044 -12.120 790 HB2 PRO 104 2HB PRO 104 -10.448 17.386 -12.258 791 HB3 PRO 104 1HB PRO 104 -9.398 17.624 -10.861 792 HG2 PRO 104 2HG PRO 104 -10.775 19.634 -12.174 793 HG3 PRO 104 1HG PRO 104 -9.362 19.878 -11.135 794 HD2 PRO 104 2HD PRO 104 -9.532 19.775 -14.117 795 HD3 PRO 104 1HD PRO 104 -8.512 20.794 -13.075 796 H VAL 105 HN VAL 105 -6.971 15.693 -13.800 797 HA VAL 105 HA VAL 105 -9.200 14.660 -15.398 798 HB VAL 105 HB VAL 105 -7.939 15.996 -16.950 799 HG11 VAL 105 1HG1 VAL 105 -5.497 14.462 -16.069 800 HG12 VAL 105 2HG1 VAL 105 -5.832 16.168 -15.762 801 HG13 VAL 105 3HG1 VAL 105 -5.560 15.604 -17.411 802 HG21 VAL 105 3HG2 VAL 105 -7.221 14.284 -18.581 803 HG22 VAL 105 1HG2 VAL 105 -8.785 13.927 -17.851 804 HG23 VAL 105 2HG2 VAL 105 -7.346 13.062 -17.318 805 H THR 106 HN THR 106 -9.541 12.641 -14.798 806 HA THR 106 HA THR 106 -7.304 11.077 -13.722 807 HB THR 106 HB THR 106 -10.236 10.397 -13.588 808 HG1 THR 106 1HG THR 106 -10.096 12.252 -12.405 809 HG21 THR 106 3HG2 THR 106 -8.731 8.518 -13.205 810 HG22 THR 106 1HG2 THR 106 -9.528 8.980 -11.703 811 HG23 THR 106 2HG2 THR 106 -7.854 9.449 -11.993 812 H VAL 107 HN VAL 107 -6.355 10.438 -15.618 813 HA VAL 107 HA VAL 107 -7.938 8.929 -17.539 814 HB VAL 107 HB VAL 107 -5.710 8.773 -18.791 815 HG11 VAL 107 1HG1 VAL 107 -7.496 10.299 -19.441 816 HG12 VAL 107 2HG1 VAL 107 -5.922 11.068 -19.649 817 HG13 VAL 107 3HG1 VAL 107 -6.930 11.484 -18.265 818 HG21 VAL 107 3HG2 VAL 107 -4.949 10.908 -16.800 819 HG22 VAL 107 1HG2 VAL 107 -4.019 10.431 -18.219 820 HG23 VAL 107 2HG2 VAL 107 -4.246 9.294 -16.891 821 H GLU 108 HN GLU 108 -8.438 7.075 -16.446 822 HA GLU 108 HA GLU 108 -6.185 5.383 -15.619 823 HB2 GLU 108 2HB GLU 108 -8.074 5.992 -13.980 824 HB3 GLU 108 1HB GLU 108 -9.080 4.910 -14.926 825 HG2 GLU 108 2HG GLU 108 -6.485 3.960 -13.789 826 HG3 GLU 108 1HG GLU 108 -7.933 4.033 -12.791 827 H MET 109 HN MET 109 -5.610 4.516 -17.549 828 HA MET 109 HA MET 109 -7.188 2.353 -18.513 829 HB2 MET 109 2HB MET 109 -7.263 3.163 -20.900 830 HB3 MET 109 1HB MET 109 -8.365 3.975 -19.799 831 HG2 MET 109 2HG MET 109 -6.869 5.878 -19.669 832 HG3 MET 109 1HG MET 109 -5.706 5.058 -20.707 833 HE1 MET 109 3HE MET 109 -7.110 7.940 -22.981 834 HE2 MET 109 1HE MET 109 -5.668 7.224 -22.262 835 HE3 MET 109 2HE MET 109 -6.865 8.008 -21.235 836 H ILE 110 HN ILE 110 -5.328 1.247 -17.879 837 HA ILE 110 HA ILE 110 -3.030 1.629 -19.672 838 HB ILE 110 HB ILE 110 -2.308 2.160 -17.471 839 HG12 ILE 110 2HG1 ILE 110 -1.438 -0.672 -18.074 840 HG13 ILE 110 1HG1 ILE 110 -0.777 0.775 -18.826 841 HG21 ILE 110 1HG2 ILE 110 -3.531 -0.443 -16.572 842 HG22 ILE 110 2HG2 ILE 110 -4.074 1.185 -16.159 843 HG23 ILE 110 3HG2 ILE 110 -2.518 0.598 -15.569 844 HD11 ILE 110 3HD1 ILE 110 0.039 1.526 -16.652 845 HD12 ILE 110 1HD1 ILE 110 0.686 -0.058 -17.083 846 HD13 ILE 110 2HD1 ILE 110 -0.623 0.071 -15.906 847 H ASN 111 HN ASN 111 -3.238 0.196 -21.233 848 HA ASN 111 HA ASN 111 -3.566 -2.629 -20.476 849 HB2 ASN 111 2HB ASN 111 -5.685 -1.811 -21.437 850 HB3 ASN 111 1HB ASN 111 -4.821 -1.275 -22.877 851 HD21 ASN 111 1HD2 ASN 111 -6.126 -3.965 -21.147 852 HD22 ASN 111 2HD2 ASN 111 -5.883 -5.148 -22.392 853 H LEU 112 HN LEU 112 -1.652 -3.514 -20.880 854 HA LEU 112 HA LEU 112 -0.124 -2.609 -23.212 855 HB2 LEU 112 2HB LEU 112 1.822 -3.578 -22.192 856 HB3 LEU 112 1HB LEU 112 1.021 -2.563 -21.013 857 HG LEU 112 HG LEU 112 0.669 -5.558 -21.067 858 HD11 LEU 112 1HD1 LEU 112 3.046 -5.049 -20.808 859 HD12 LEU 112 2HD1 LEU 112 2.357 -5.672 -19.308 860 HD13 LEU 112 3HD1 LEU 112 2.667 -3.944 -19.485 861 HD21 LEU 112 3HD2 LEU 112 0.231 -3.482 -18.921 862 HD22 LEU 112 1HD2 LEU 112 0.018 -5.224 -18.727 863 HD23 LEU 112 2HD2 LEU 112 -1.026 -4.324 -19.828 864 H GLU 113 HN GLU 113 0.706 -4.107 -24.718 865 HA GLU 113 HA GLU 113 -0.671 -6.714 -24.674 866 HB2 GLU 113 2HB GLU 113 -0.567 -6.726 -27.099 867 HB3 GLU 113 1HB GLU 113 -1.354 -5.255 -26.547 868 HG2 GLU 113 2HG GLU 113 0.591 -3.955 -27.002 869 HG3 GLU 113 1HG GLU 113 1.546 -5.399 -27.332 870 H HIS 114 HN HIS 114 0.506 -8.566 -25.048 871 HA HIS 114 HA HIS 114 3.222 -8.519 -25.900 872 HB2 HIS 114 2HB HIS 114 2.988 -7.839 -23.279 873 HB3 HIS 114 1HB HIS 114 3.115 -9.589 -23.146 874 HD1 HIS 114 1HD HIS 114 5.455 -9.505 -22.104 875 HD2 HIS 114 2HD HIS 114 5.210 -7.671 -25.830 876 HE1 HIS 114 1HE HIS 114 7.829 -9.088 -22.813 877 HE2 HIS 114 2HE HIS 114 7.645 -7.783 -24.959 878 H HIS 115 HN HIS 115 2.022 -9.948 -27.314 879 HA HIS 115 HA HIS 115 1.604 -12.640 -26.166 880 HB2 HIS 115 2HB HIS 115 -0.477 -11.630 -26.968 881 HB3 HIS 115 1HB HIS 115 0.254 -11.317 -28.534 882 HD1 HIS 115 1HD HIS 115 -0.115 -13.039 -30.272 883 HD2 HIS 115 2HD HIS 115 -0.769 -14.519 -26.432 884 HE1 HIS 115 1HE HIS 115 -1.014 -15.370 -30.581 885 HE2 HIS 115 2HE HIS 115 -1.354 -16.272 -28.254 886 H HIS 116 HN HIS 116 3.180 -13.996 -26.714 887 HA HIS 116 HA HIS 116 4.160 -14.098 -29.430 888 HB2 HIS 116 2HB HIS 116 6.563 -13.876 -28.708 889 HB3 HIS 116 1HB HIS 116 5.628 -12.388 -28.682 890 HD1 HIS 116 1HD HIS 116 5.495 -11.149 -26.523 891 HD2 HIS 116 2HD HIS 116 7.134 -14.944 -26.084 892 HE1 HIS 116 1HE HIS 116 6.325 -11.261 -24.149 893 HE2 HIS 116 2HE HIS 116 7.199 -13.608 -23.866 894 H HIS 117 HN HIS 117 4.644 -16.061 -30.007 895 HA HIS 117 HA HIS 117 6.071 -17.947 -28.496 896 HB2 HIS 117 2HB HIS 117 4.002 -18.172 -27.184 897 HB3 HIS 117 1HB HIS 117 3.083 -18.472 -28.654 898 HD1 HIS 117 1HD HIS 117 2.947 -20.842 -29.460 899 HD2 HIS 117 2HD HIS 117 5.841 -20.311 -26.515 900 HE1 HIS 117 1HE HIS 117 3.720 -23.154 -28.837 901 HE2 HIS 117 2HE HIS 117 5.637 -22.789 -27.245 902 H HIS 118 HN HIS 118 7.170 -18.829 -30.123 903 HA HIS 118 HA HIS 118 5.672 -19.899 -32.382 904 HB2 HIS 118 2HB HIS 118 7.437 -18.973 -33.968 905 HB3 HIS 118 1HB HIS 118 6.242 -17.840 -33.362 906 HD1 HIS 118 1HD HIS 118 9.869 -18.421 -33.570 907 HD2 HIS 118 2HD HIS 118 7.268 -16.021 -31.380 908 HE1 HIS 118 1HE HIS 118 11.294 -16.616 -32.558 909 HE2 HIS 118 2HE HIS 118 9.675 -15.078 -31.386 910 H HIS 119 HN HIS 119 6.090 -21.902 -31.630 911 HA HIS 119 HA HIS 119 8.481 -23.104 -32.561 912 HB2 HIS 119 2HB HIS 119 9.314 -22.211 -30.376 913 HB3 HIS 119 1HB HIS 119 8.072 -23.149 -29.555 914 HD1 HIS 119 1HD HIS 119 11.470 -23.373 -30.915 915 HD2 HIS 119 2HD HIS 119 8.466 -26.017 -29.771 916 HE1 HIS 119 1HE HIS 119 12.586 -25.623 -30.688 917 HE2 HIS 119 2HE HIS 119 10.750 -27.209 -29.999 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -4.299 -35.020 7.014 2 H2 MET 1 H2 MET 1 -3.191 -35.735 8.074 3 H3 MET 1 H3 MET 1 -4.376 -36.686 7.328 4 HA MET 1 HA MET 1 -2.268 -37.040 6.254 5 HB2 MET 1 2HB MET 1 -4.230 -35.404 4.630 6 HB3 MET 1 1HB MET 1 -2.895 -36.299 3.928 7 HG2 MET 1 2HG MET 1 -4.855 -37.596 3.657 8 HG3 MET 1 1HG MET 1 -3.871 -38.376 4.892 9 HE1 MET 1 2HE MET 1 -6.974 -38.950 4.300 10 HE2 MET 1 3HE MET 1 -7.605 -39.084 5.939 11 HE3 MET 1 1HE MET 1 -6.057 -39.824 5.529 12 HA PRO 2 HA PRO 2 0.714 -33.726 6.018 13 HB2 PRO 2 2HB PRO 2 1.421 -34.775 3.332 14 HB3 PRO 2 1HB PRO 2 2.452 -34.521 4.744 15 HG2 PRO 2 2HG PRO 2 1.725 -36.976 3.999 16 HG3 PRO 2 1HG PRO 2 1.847 -36.536 5.713 17 HD2 PRO 2 2HD PRO 2 -0.586 -36.848 4.000 18 HD3 PRO 2 1HD PRO 2 -0.335 -37.298 5.700 19 H THR 3 HN THR 3 0.043 -31.706 5.614 20 HA THR 3 HA THR 3 -1.086 -31.097 2.971 21 HB THR 3 HB THR 3 -2.201 -29.907 5.481 22 HG1 THR 3 1HG THR 3 -2.417 -32.356 5.169 23 HG21 THR 3 3HG2 THR 3 -4.116 -29.388 4.072 24 HG22 THR 3 1HG2 THR 3 -3.347 -30.204 2.710 25 HG23 THR 3 2HG2 THR 3 -2.636 -28.730 3.371 26 H PHE 4 HN PHE 4 -0.784 -28.942 2.274 27 HA PHE 4 HA PHE 4 1.466 -27.604 3.498 28 HB2 PHE 4 2HB PHE 4 1.350 -26.180 1.458 29 HB3 PHE 4 1HB PHE 4 1.559 -27.885 1.106 30 HD1 PHE 4 1HD PHE 4 -0.379 -29.202 0.259 31 HD2 PHE 4 2HD PHE 4 -0.528 -24.971 0.687 32 HE1 PHE 4 1HE PHE 4 -2.333 -29.122 -1.237 33 HE2 PHE 4 2HE PHE 4 -2.482 -24.884 -0.801 34 HZ PHE 4 HZ PHE 4 -3.389 -26.960 -1.766 35 H ASP 5 HN ASP 5 1.393 -25.638 4.460 36 HA ASP 5 HA ASP 5 -1.273 -24.546 5.007 37 HB2 ASP 5 2HB ASP 5 0.322 -25.169 6.911 38 HB3 ASP 5 1HB ASP 5 1.309 -23.807 6.396 39 H HIS 6 HN HIS 6 -1.215 -23.725 2.789 40 HA HIS 6 HA HIS 6 0.322 -21.225 2.593 41 HB2 HIS 6 2HB HIS 6 1.324 -23.125 1.266 42 HB3 HIS 6 1HB HIS 6 -0.139 -23.120 0.290 43 HD1 HIS 6 1HD HIS 6 0.063 -21.814 -1.792 44 HD2 HIS 6 2HD HIS 6 2.585 -20.386 1.200 45 HE1 HIS 6 1HE HIS 6 1.374 -19.938 -2.839 46 HE2 HIS 6 2HE HIS 6 2.814 -19.014 -0.985 47 H GLY 7 HN GLY 7 -0.868 -19.501 2.144 48 HA2 GLY 7 2HA GLY 7 -3.205 -19.728 0.420 49 HA3 GLY 7 1HA GLY 7 -3.520 -19.218 2.072 50 H ASN 8 HN ASN 8 -4.362 -17.369 0.603 51 HA ASN 8 HA ASN 8 -2.225 -15.342 0.464 52 HB2 ASN 8 2HB ASN 8 -4.422 -15.864 -1.528 53 HB3 ASN 8 1HB ASN 8 -3.620 -14.304 -1.423 54 HD21 ASN 8 1HD2 ASN 8 -1.575 -14.061 -2.198 55 HD22 ASN 8 2HD2 ASN 8 -0.757 -15.297 -3.093 56 H LEU 9 HN LEU 9 -3.067 -13.127 0.548 57 HA LEU 9 HA LEU 9 -5.683 -12.751 1.727 58 HB2 LEU 9 2HB LEU 9 -4.406 -13.326 3.697 59 HB3 LEU 9 1HB LEU 9 -3.136 -12.202 3.253 60 HG LEU 9 HG LEU 9 -4.733 -10.328 3.581 61 HD11 LEU 9 1HD1 LEU 9 -6.816 -10.771 4.803 62 HD12 LEU 9 2HD1 LEU 9 -6.537 -12.504 4.623 63 HD13 LEU 9 3HD1 LEU 9 -6.811 -11.502 3.198 64 HD21 LEU 9 3HD2 LEU 9 -3.187 -10.940 5.343 65 HD22 LEU 9 1HD2 LEU 9 -4.311 -12.159 5.940 66 HD23 LEU 9 2HD2 LEU 9 -4.730 -10.450 6.038 67 H SER 10 HN SER 10 -6.470 -10.964 0.826 68 HA SER 10 HA SER 10 -4.600 -9.037 -0.312 69 HB2 SER 10 2HB SER 10 -6.836 -8.154 -1.329 70 HB3 SER 10 1HB SER 10 -6.132 -9.644 -1.955 71 HG SER 10 HG SER 10 -7.852 -10.662 -1.337 72 H LEU 11 HN LEU 11 -4.043 -7.395 0.925 73 HA LEU 11 HA LEU 11 -5.469 -6.530 3.208 74 HB2 LEU 11 2HB LEU 11 -3.379 -5.066 1.590 75 HB3 LEU 11 1HB LEU 11 -3.930 -4.599 3.184 76 HG LEU 11 HG LEU 11 -2.481 -7.167 2.541 77 HD11 LEU 11 1HD1 LEU 11 -0.615 -6.143 3.764 78 HD12 LEU 11 2HD1 LEU 11 -1.522 -4.634 3.856 79 HD13 LEU 11 3HD1 LEU 11 -1.013 -5.264 2.289 80 HD21 LEU 11 3HD2 LEU 11 -2.300 -7.406 4.964 81 HD22 LEU 11 1HD2 LEU 11 -3.986 -7.390 4.447 82 HD23 LEU 11 2HD2 LEU 11 -3.275 -5.954 5.183 83 H GLY 12 HN GLY 12 -5.353 -5.447 -0.126 84 HA2 GLY 12 2HA GLY 12 -7.539 -4.670 -0.983 85 HA3 GLY 12 1HA GLY 12 -7.630 -3.664 0.457 86 H GLU 13 HN GLU 13 -7.881 -1.845 -0.877 87 HA GLU 13 HA GLU 13 -5.616 -1.039 -2.516 88 HB2 GLU 13 2HB GLU 13 -7.087 0.938 -3.027 89 HB3 GLU 13 1HB GLU 13 -7.751 -0.617 -3.504 90 HG2 GLU 13 2HG GLU 13 -9.066 -0.606 -1.372 91 HG3 GLU 13 1HG GLU 13 -8.518 1.049 -1.125 92 H LEU 14 HN LEU 14 -4.075 0.302 -1.825 93 HA LEU 14 HA LEU 14 -4.564 1.802 0.665 94 HB2 LEU 14 2HB LEU 14 -2.056 0.343 -0.170 95 HB3 LEU 14 1HB LEU 14 -2.151 1.435 1.199 96 HG LEU 14 HG LEU 14 -3.764 -1.098 0.924 97 HD11 LEU 14 1HD1 LEU 14 -1.295 -0.559 2.571 98 HD12 LEU 14 2HD1 LEU 14 -1.370 -1.568 1.127 99 HD13 LEU 14 3HD1 LEU 14 -2.254 -2.040 2.576 100 HD21 LEU 14 3HD2 LEU 14 -3.332 0.743 3.272 101 HD22 LEU 14 1HD2 LEU 14 -4.279 -0.745 3.273 102 HD23 LEU 14 2HD2 LEU 14 -4.804 0.635 2.309 103 H GLU 15 HN GLU 15 -4.034 3.886 0.648 104 HA GLU 15 HA GLU 15 -3.077 5.116 -1.762 105 HB2 GLU 15 2HB GLU 15 -3.687 6.240 0.974 106 HB3 GLU 15 1HB GLU 15 -3.165 7.223 -0.387 107 HG2 GLU 15 2HG GLU 15 -5.137 6.561 -1.641 108 HG3 GLU 15 1HG GLU 15 -5.650 5.531 -0.304 109 H LEU 16 HN LEU 16 -1.067 5.734 -2.253 110 HA LEU 16 HA LEU 16 1.058 4.884 -0.469 111 HB2 LEU 16 2HB LEU 16 1.138 4.262 -2.832 112 HB3 LEU 16 1HB LEU 16 1.114 5.950 -3.295 113 HG LEU 16 HG LEU 16 3.349 5.002 -1.557 114 HD11 LEU 16 1HD1 LEU 16 4.613 4.280 -3.512 115 HD12 LEU 16 2HD1 LEU 16 3.196 4.527 -4.534 116 HD13 LEU 16 3HD1 LEU 16 3.179 3.279 -3.287 117 HD21 LEU 16 3HD2 LEU 16 3.186 6.942 -3.865 118 HD22 LEU 16 1HD2 LEU 16 4.589 6.662 -2.835 119 HD23 LEU 16 2HD2 LEU 16 3.127 7.373 -2.156 120 H THR 17 HN THR 17 2.353 6.192 0.670 121 HA THR 17 HA THR 17 1.889 9.088 0.421 122 HB THR 17 HB THR 17 3.078 7.644 2.798 123 HG1 THR 17 1HG THR 17 0.620 7.437 1.966 124 HG21 THR 17 3HG2 THR 17 3.563 10.042 2.669 125 HG22 THR 17 1HG2 THR 17 2.458 9.692 4.000 126 HG23 THR 17 2HG2 THR 17 1.841 10.388 2.499 127 H VAL 18 HN VAL 18 3.596 10.461 0.079 128 HA VAL 18 HA VAL 18 6.160 9.150 -0.539 129 HB VAL 18 HB VAL 18 5.070 11.790 -1.541 130 HG11 VAL 18 1HG1 VAL 18 7.495 11.825 -1.404 131 HG12 VAL 18 2HG1 VAL 18 6.974 11.756 -3.088 132 HG13 VAL 18 3HG1 VAL 18 7.585 10.305 -2.292 133 HG21 VAL 18 3HG2 VAL 18 5.392 9.144 -2.955 134 HG22 VAL 18 1HG2 VAL 18 4.862 10.655 -3.696 135 HG23 VAL 18 2HG2 VAL 18 3.866 9.882 -2.463 136 H LEU 19 HN LEU 19 7.846 9.545 0.705 137 HA LEU 19 HA LEU 19 7.778 11.884 2.489 138 HB2 LEU 19 2HB LEU 19 9.404 9.341 2.702 139 HB3 LEU 19 1HB LEU 19 9.450 10.673 3.839 140 HG LEU 19 HG LEU 19 7.080 8.887 3.299 141 HD11 LEU 19 1HD1 LEU 19 8.845 7.776 4.540 142 HD12 LEU 19 2HD1 LEU 19 7.468 8.114 5.589 143 HD13 LEU 19 3HD1 LEU 19 8.914 9.121 5.678 144 HD21 LEU 19 3HD2 LEU 19 6.014 10.059 5.154 145 HD22 LEU 19 1HD2 LEU 19 6.389 11.167 3.834 146 HD23 LEU 19 2HD2 LEU 19 7.405 11.140 5.276 147 H TYR 20 HN TYR 20 9.001 13.522 1.886 148 HA TYR 20 HA TYR 20 11.628 13.019 0.739 149 HB2 TYR 20 2HB TYR 20 11.279 14.633 -1.090 150 HB3 TYR 20 1HB TYR 20 10.205 13.248 -1.233 151 HD1 TYR 20 1HD TYR 20 7.790 13.506 -0.778 152 HD2 TYR 20 2HD TYR 20 10.421 16.846 -0.746 153 HE1 TYR 20 1HE TYR 20 5.861 15.021 -0.956 154 HE2 TYR 20 2HE TYR 20 8.501 18.371 -0.918 155 HH TYR 20 HH TYR 20 6.181 18.330 -1.693 156 H ASP 21 HN ASP 21 13.064 14.782 0.941 157 HA ASP 21 HA ASP 21 12.226 16.729 2.978 158 HB2 ASP 21 2HB ASP 21 14.036 15.072 3.573 159 HB3 ASP 21 1HB ASP 21 15.042 15.818 2.337 160 H GLU 22 HN GLU 22 11.690 17.031 0.249 161 HA GLU 22 HA GLU 22 13.535 19.132 -0.613 162 HB2 GLU 22 2HB GLU 22 11.886 17.276 -2.318 163 HB3 GLU 22 1HB GLU 22 13.027 18.489 -2.892 164 HG2 GLU 22 2HG GLU 22 13.831 16.240 -1.092 165 HG3 GLU 22 1HG GLU 22 13.824 16.115 -2.832 166 H GLU 23 HN GLU 23 12.098 20.254 0.809 167 HA GLU 23 HA GLU 23 9.391 20.784 0.280 168 HB2 GLU 23 2HB GLU 23 11.423 22.553 1.647 169 HB3 GLU 23 1HB GLU 23 9.675 22.683 1.787 170 HG2 GLU 23 2HG GLU 23 9.559 20.520 2.854 171 HG3 GLU 23 1HG GLU 23 11.296 20.300 2.645 172 H ARG 24 HN ARG 24 11.915 21.486 -1.672 173 HA ARG 24 HA ARG 24 11.120 24.116 -2.564 174 HB2 ARG 24 2HB ARG 24 12.942 22.208 -4.020 175 HB3 ARG 24 1HB ARG 24 12.911 23.962 -4.106 176 HG2 ARG 24 2HG ARG 24 13.850 24.154 -1.917 177 HG3 ARG 24 1HG ARG 24 13.709 22.413 -1.652 178 HD2 ARG 24 2HD ARG 24 15.203 22.168 -3.715 179 HD3 ARG 24 1HD ARG 24 15.543 23.886 -3.520 180 HE ARG 24 HE ARG 24 16.426 23.331 -1.289 181 HH11 ARG 24 1HH1 ARG 24 16.112 20.765 -3.654 182 HH12 ARG 24 2HH1 ARG 24 17.314 19.759 -2.912 183 HH21 ARG 24 1HH2 ARG 24 18.014 22.017 -0.322 184 HH22 ARG 24 2HH2 ARG 24 18.415 20.483 -1.037 185 H TYR 25 HN TYR 25 10.238 20.871 -3.172 186 HA TYR 25 HA TYR 25 9.021 21.614 -5.757 187 HB2 TYR 25 2HB TYR 25 10.065 18.867 -5.049 188 HB3 TYR 25 1HB TYR 25 9.512 19.427 -6.623 189 HD1 TYR 25 1HD TYR 25 10.896 21.149 -7.845 190 HD2 TYR 25 2HD TYR 25 12.302 19.128 -4.380 191 HE1 TYR 25 1HE TYR 25 13.201 21.775 -8.421 192 HE2 TYR 25 2HE TYR 25 14.611 19.748 -4.948 193 HH TYR 25 HH TYR 25 15.913 20.391 -6.894 194 H ASP 26 HN ASP 26 6.997 20.747 -6.226 195 HA ASP 26 HA ASP 26 5.690 19.320 -4.013 196 HB2 ASP 26 2HB ASP 26 3.623 20.300 -4.560 197 HB3 ASP 26 1HB ASP 26 4.773 21.619 -4.676 198 H ILE 27 HN ILE 27 3.940 17.836 -4.736 199 HA ILE 27 HA ILE 27 5.105 16.100 -6.772 200 HB ILE 27 HB ILE 27 2.813 15.529 -4.886 201 HG12 ILE 27 2HG1 ILE 27 5.726 14.746 -4.647 202 HG13 ILE 27 1HG1 ILE 27 4.953 16.025 -3.714 203 HG21 ILE 27 1HG2 ILE 27 2.844 14.106 -6.873 204 HG22 ILE 27 2HG2 ILE 27 3.255 13.187 -5.425 205 HG23 ILE 27 3HG2 ILE 27 4.523 13.680 -6.548 206 HD11 ILE 27 3HD1 ILE 27 4.285 13.086 -3.628 207 HD12 ILE 27 1HD1 ILE 27 3.444 14.348 -2.725 208 HD13 ILE 27 2HD1 ILE 27 5.142 14.009 -2.392 209 H VAL 28 HN VAL 28 4.459 16.553 -8.787 210 HA VAL 28 HA VAL 28 1.763 17.478 -9.325 211 HB VAL 28 HB VAL 28 4.001 16.818 -11.252 212 HG11 VAL 28 1HG1 VAL 28 1.380 18.244 -11.697 213 HG12 VAL 28 2HG1 VAL 28 1.841 16.670 -12.343 214 HG13 VAL 28 3HG1 VAL 28 2.687 18.124 -12.875 215 HG21 VAL 28 3HG2 VAL 28 3.057 19.462 -10.152 216 HG22 VAL 28 1HG2 VAL 28 4.275 19.251 -11.411 217 HG23 VAL 28 2HG2 VAL 28 4.580 18.655 -9.779 218 H GLU 29 HN GLU 29 3.711 14.592 -9.943 219 HA GLU 29 HA GLU 29 1.241 13.106 -10.512 220 HB2 GLU 29 2HB GLU 29 3.149 13.778 -12.450 221 HB3 GLU 29 1HB GLU 29 3.509 12.110 -12.035 222 HG2 GLU 29 2HG GLU 29 0.778 13.083 -12.830 223 HG3 GLU 29 1HG GLU 29 1.955 12.420 -13.960 224 H GLN 30 HN GLN 30 1.424 10.812 -10.067 225 HA GLN 30 HA GLN 30 3.647 9.592 -8.877 226 HB2 GLN 30 2HB GLN 30 2.966 9.614 -6.497 227 HB3 GLN 30 1HB GLN 30 3.416 11.211 -7.078 228 HG2 GLN 30 2HG GLN 30 1.126 11.883 -7.213 229 HG3 GLN 30 1HG GLN 30 0.571 10.246 -6.868 230 HE21 GLN 30 1HE2 GLN 30 0.073 12.800 -5.490 231 HE22 GLN 30 2HE2 GLN 30 0.559 12.537 -3.850 232 H THR 31 HN THR 31 3.069 7.557 -7.773 233 HA THR 31 HA THR 31 0.695 6.319 -8.823 234 HB THR 31 HB THR 31 2.565 5.191 -6.728 235 HG1 THR 31 1HG THR 31 2.810 5.188 -9.583 236 HG21 THR 31 3HG2 THR 31 0.498 3.938 -7.086 237 HG22 THR 31 1HG2 THR 31 1.882 3.038 -7.707 238 HG23 THR 31 2HG2 THR 31 0.811 3.891 -8.820 239 H GLU 32 HN GLU 32 -1.232 6.696 -7.923 240 HA GLU 32 HA GLU 32 -1.404 7.998 -5.380 241 HB2 GLU 32 2HB GLU 32 -3.589 7.049 -7.234 242 HB3 GLU 32 1HB GLU 32 -3.815 8.112 -5.850 243 HG2 GLU 32 2HG GLU 32 -2.412 9.797 -6.889 244 HG3 GLU 32 1HG GLU 32 -2.121 8.733 -8.262 245 H THR 33 HN THR 33 -2.845 4.957 -6.596 246 HA THR 33 HA THR 33 -2.835 4.016 -3.815 247 HB THR 33 HB THR 33 -4.948 2.739 -4.390 248 HG1 THR 33 1HG THR 33 -6.165 3.521 -6.137 249 HG21 THR 33 3HG2 THR 33 -4.995 4.674 -2.921 250 HG22 THR 33 1HG2 THR 33 -6.417 4.671 -3.964 251 HG23 THR 33 2HG2 THR 33 -5.071 5.757 -4.311 252 H VAL 34 HN VAL 34 -2.459 1.866 -3.476 253 HA VAL 34 HA VAL 34 -1.662 0.269 -5.819 254 HB VAL 34 HB VAL 34 0.234 -0.619 -4.596 255 HG11 VAL 34 1HG1 VAL 34 1.625 1.398 -4.418 256 HG12 VAL 34 2HG1 VAL 34 0.169 2.391 -4.499 257 HG13 VAL 34 3HG1 VAL 34 0.634 1.393 -5.876 258 HG21 VAL 34 3HG2 VAL 34 -0.719 -0.534 -2.338 259 HG22 VAL 34 1HG2 VAL 34 -0.559 1.223 -2.340 260 HG23 VAL 34 2HG2 VAL 34 0.882 0.205 -2.392 261 H GLN 35 HN GLN 35 -1.819 -2.047 -5.492 262 HA GLN 35 HA GLN 35 -3.645 -2.761 -3.300 263 HB2 GLN 35 2HB GLN 35 -4.434 -3.087 -5.706 264 HB3 GLN 35 1HB GLN 35 -3.227 -4.363 -5.822 265 HG2 GLN 35 2HG GLN 35 -4.307 -5.504 -3.917 266 HG3 GLN 35 1HG GLN 35 -5.550 -4.258 -3.912 267 HE21 GLN 35 1HE2 GLN 35 -7.219 -5.617 -4.352 268 HE22 GLN 35 2HE2 GLN 35 -7.416 -6.439 -5.862 269 H VAL 36 HN VAL 36 -3.037 -4.271 -1.864 270 HA VAL 36 HA VAL 36 -0.421 -5.579 -2.300 271 HB VAL 36 HB VAL 36 -1.478 -4.669 0.380 272 HG11 VAL 36 1HG1 VAL 36 1.253 -5.607 -0.494 273 HG12 VAL 36 2HG1 VAL 36 0.096 -6.530 0.466 274 HG13 VAL 36 3HG1 VAL 36 0.821 -5.062 1.127 275 HG21 VAL 36 3HG2 VAL 36 0.197 -2.859 0.245 276 HG22 VAL 36 1HG2 VAL 36 -1.065 -2.706 -0.977 277 HG23 VAL 36 2HG2 VAL 36 0.525 -3.317 -1.426 278 H ASP 37 HN ASP 37 -0.307 -7.661 -2.000 279 HA ASP 37 HA ASP 37 -2.437 -9.078 -0.537 280 HB2 ASP 37 2HB ASP 37 -2.875 -9.650 -2.791 281 HB3 ASP 37 1HB ASP 37 -1.165 -9.727 -3.195 282 H LEU 38 HN LEU 38 -1.723 -10.756 0.776 283 HA LEU 38 HA LEU 38 1.205 -11.004 1.009 284 HB2 LEU 38 2HB LEU 38 -0.904 -11.342 3.149 285 HB3 LEU 38 1HB LEU 38 0.812 -11.621 3.375 286 HG LEU 38 HG LEU 38 -0.456 -8.960 2.718 287 HD11 LEU 38 1HD1 LEU 38 0.784 -9.968 5.274 288 HD12 LEU 38 2HD1 LEU 38 -0.940 -9.726 4.991 289 HD13 LEU 38 3HD1 LEU 38 0.155 -8.345 4.989 290 HD21 LEU 38 3HD2 LEU 38 1.777 -9.178 1.772 291 HD22 LEU 38 1HD2 LEU 38 2.405 -9.679 3.342 292 HD23 LEU 38 2HD2 LEU 38 1.770 -8.048 3.125 293 H GLU 39 HN GLU 39 2.019 -12.921 0.555 294 HA GLU 39 HA GLU 39 0.174 -15.212 0.418 295 HB2 GLU 39 2HB GLU 39 0.865 -14.403 -1.799 296 HB3 GLU 39 1HB GLU 39 2.549 -14.581 -1.345 297 HG2 GLU 39 2HG GLU 39 1.136 -17.047 -0.949 298 HG3 GLU 39 1HG GLU 39 0.917 -16.456 -2.596 299 H GLY 40 HN GLY 40 0.785 -17.078 1.398 300 HA2 GLY 40 2HA GLY 40 3.164 -18.207 1.877 301 HA3 GLY 40 1HA GLY 40 3.138 -16.938 3.096 302 HA PRO 41 HA PRO 41 1.297 -20.638 5.160 303 HB2 PRO 41 2HB PRO 41 1.999 -19.601 7.643 304 HB3 PRO 41 1HB PRO 41 2.941 -20.773 6.717 305 HG2 PRO 41 2HG PRO 41 3.280 -17.820 6.943 306 HG3 PRO 41 1HG PRO 41 4.514 -19.089 6.837 307 HD2 PRO 41 2HD PRO 41 3.895 -17.546 4.730 308 HD3 PRO 41 1HD PRO 41 4.322 -19.258 4.535 309 H ARG 42 HN ARG 42 -0.832 -20.516 5.307 310 HA ARG 42 HA ARG 42 -2.253 -18.116 5.621 311 HB2 ARG 42 2HB ARG 42 -4.275 -19.582 5.877 312 HB3 ARG 42 1HB ARG 42 -3.335 -19.841 4.421 313 HG2 ARG 42 2HG ARG 42 -3.870 -21.978 5.095 314 HG3 ARG 42 1HG ARG 42 -2.240 -21.771 5.729 315 HD2 ARG 42 2HD ARG 42 -3.711 -22.836 7.365 316 HD3 ARG 42 1HD ARG 42 -3.141 -21.266 7.931 317 HE ARG 42 HE ARG 42 -5.679 -21.090 6.615 318 HH11 ARG 42 1HH1 ARG 42 -4.157 -21.986 9.635 319 HH12 ARG 42 2HH1 ARG 42 -5.536 -21.578 10.606 320 HH21 ARG 42 1HH2 ARG 42 -7.495 -20.545 7.876 321 HH22 ARG 42 2HH2 ARG 42 -7.438 -20.745 9.607 322 H GLY 43 HN GLY 43 -1.097 -20.447 7.923 323 HA2 GLY 43 2HA GLY 43 -2.613 -19.776 10.171 324 HA3 GLY 43 1HA GLY 43 -0.940 -20.314 10.215 325 H VAL 44 HN VAL 44 0.423 -18.298 9.043 326 HA VAL 44 HA VAL 44 0.573 -16.313 11.041 327 HB VAL 44 HB VAL 44 1.680 -16.208 8.224 328 HG11 VAL 44 1HG1 VAL 44 3.294 -14.595 9.149 329 HG12 VAL 44 2HG1 VAL 44 2.428 -14.630 10.686 330 HG13 VAL 44 3HG1 VAL 44 1.633 -14.007 9.239 331 HG21 VAL 44 3HG2 VAL 44 2.498 -18.163 9.410 332 HG22 VAL 44 1HG2 VAL 44 2.965 -17.159 10.784 333 HG23 VAL 44 2HG2 VAL 44 3.787 -16.971 9.233 334 H LEU 45 HN LEU 45 -0.834 -16.336 7.804 335 HA LEU 45 HA LEU 45 -1.557 -13.647 7.615 336 HB2 LEU 45 2HB LEU 45 -2.950 -16.067 6.465 337 HB3 LEU 45 1HB LEU 45 -3.229 -14.411 5.962 338 HG LEU 45 HG LEU 45 -0.598 -15.871 5.698 339 HD11 LEU 45 1HD1 LEU 45 -2.684 -15.206 3.629 340 HD12 LEU 45 2HD1 LEU 45 -2.278 -16.816 4.222 341 HD13 LEU 45 3HD1 LEU 45 -1.094 -15.891 3.300 342 HD21 LEU 45 3HD2 LEU 45 0.001 -13.956 4.253 343 HD22 LEU 45 1HD2 LEU 45 -0.272 -13.488 5.934 344 HD23 LEU 45 2HD2 LEU 45 -1.507 -13.169 4.717 345 H THR 46 HN THR 46 -3.265 -16.376 9.066 346 HA THR 46 HA THR 46 -5.691 -15.014 9.566 347 HB THR 46 HB THR 46 -4.535 -17.377 11.064 348 HG1 THR 46 1HG THR 46 -4.691 -17.854 8.859 349 HG21 THR 46 3HG2 THR 46 -7.381 -16.409 10.756 350 HG22 THR 46 1HG2 THR 46 -6.420 -16.359 12.233 351 HG23 THR 46 2HG2 THR 46 -6.893 -17.911 11.541 352 H VAL 47 HN VAL 47 -2.738 -15.447 11.474 353 HA VAL 47 HA VAL 47 -3.698 -14.217 13.836 354 HB VAL 47 HB VAL 47 -0.835 -14.342 12.856 355 HG11 VAL 47 1HG1 VAL 47 -1.145 -12.732 14.654 356 HG12 VAL 47 2HG1 VAL 47 -0.251 -14.140 15.230 357 HG13 VAL 47 3HG1 VAL 47 -1.960 -13.956 15.628 358 HG21 VAL 47 3HG2 VAL 47 -2.398 -16.274 14.569 359 HG22 VAL 47 1HG2 VAL 47 -0.663 -16.359 14.262 360 HG23 VAL 47 2HG2 VAL 47 -1.804 -16.565 12.934 361 H PHE 48 HN PHE 48 -2.059 -12.980 10.973 362 HA PHE 48 HA PHE 48 -1.790 -10.306 11.887 363 HB2 PHE 48 2HB PHE 48 -0.463 -11.288 10.024 364 HB3 PHE 48 1HB PHE 48 -1.922 -11.329 9.040 365 HD1 PHE 48 2HD PHE 48 0.369 -9.044 10.835 366 HD2 PHE 48 1HD PHE 48 -2.581 -9.456 7.799 367 HE1 PHE 48 2HE PHE 48 0.824 -6.743 10.085 368 HE2 PHE 48 1HE PHE 48 -2.131 -7.162 7.043 369 HZ PHE 48 HZ PHE 48 -0.424 -5.800 8.181 370 H ARG 49 HN ARG 49 -4.362 -12.115 10.421 371 HA ARG 49 HA ARG 49 -5.923 -9.946 9.507 372 HB2 ARG 49 2HB ARG 49 -6.248 -12.862 9.865 373 HB3 ARG 49 1HB ARG 49 -7.718 -11.913 9.813 374 HG2 ARG 49 2HG ARG 49 -5.908 -11.116 7.726 375 HG3 ARG 49 1HG ARG 49 -6.240 -12.848 7.660 376 HD2 ARG 49 2HD ARG 49 -8.413 -10.782 7.895 377 HD3 ARG 49 1HD ARG 49 -7.800 -11.347 6.342 378 HE ARG 49 HE ARG 49 -8.583 -13.491 8.079 379 HH11 ARG 49 1HH1 ARG 49 -9.821 -11.099 5.822 380 HH12 ARG 49 2HH1 ARG 49 -11.167 -12.089 5.326 381 HH21 ARG 49 1HH2 ARG 49 -10.335 -14.759 7.465 382 HH22 ARG 49 2HH2 ARG 49 -11.475 -14.177 6.290 383 H PHE 50 HN PHE 50 -5.340 -11.175 12.636 384 HA PHE 50 HA PHE 50 -7.799 -10.074 13.722 385 HB2 PHE 50 2HB PHE 50 -5.527 -11.683 14.824 386 HB3 PHE 50 1HB PHE 50 -6.576 -10.791 15.911 387 HD1 PHE 50 2HD PHE 50 -9.155 -11.158 15.486 388 HD2 PHE 50 1HD PHE 50 -6.083 -13.849 14.299 389 HE1 PHE 50 2HE PHE 50 -10.798 -12.985 15.397 390 HE2 PHE 50 1HE PHE 50 -7.722 -15.684 14.205 391 HZ PHE 50 HZ PHE 50 -10.084 -15.251 14.757 392 H ALA 51 HN ALA 51 -4.564 -9.170 13.152 393 HA ALA 51 HA ALA 51 -4.478 -7.101 15.156 394 HB1 ALA 51 1HB ALA 51 -2.587 -7.700 12.882 395 HB2 ALA 51 2HB ALA 51 -2.419 -8.253 14.550 396 HB3 ALA 51 3HB ALA 51 -2.305 -6.533 14.173 397 H ARG 52 HN ARG 52 -4.879 -4.977 14.857 398 HA ARG 52 HA ARG 52 -6.358 -4.194 12.557 399 HB2 ARG 52 2HB ARG 52 -5.363 -2.703 14.972 400 HB3 ARG 52 1HB ARG 52 -6.342 -1.971 13.723 401 HG2 ARG 52 2HG ARG 52 -8.089 -3.684 14.169 402 HG3 ARG 52 1HG ARG 52 -7.117 -4.234 15.535 403 HD2 ARG 52 2HD ARG 52 -7.301 -2.069 16.588 404 HD3 ARG 52 1HD ARG 52 -8.169 -1.432 15.189 405 HE ARG 52 HE ARG 52 -9.266 -3.651 16.788 406 HH11 ARG 52 1HH1 ARG 52 -9.562 -0.458 15.377 407 HH12 ARG 52 2HH1 ARG 52 -11.238 -0.293 15.805 408 HH21 ARG 52 1HH2 ARG 52 -11.463 -3.460 17.320 409 HH22 ARG 52 2HH2 ARG 52 -12.339 -2.013 16.900 410 HA PRO 53 HA PRO 53 -3.185 -2.768 9.987 411 HB2 PRO 53 2HB PRO 53 -4.650 -0.371 9.221 412 HB3 PRO 53 1HB PRO 53 -4.276 -1.802 8.260 413 HG2 PRO 53 2HG PRO 53 -6.787 -1.218 9.097 414 HG3 PRO 53 1HG PRO 53 -6.211 -2.879 8.863 415 HD2 PRO 53 2HD PRO 53 -6.549 -1.323 11.393 416 HD3 PRO 53 1HD PRO 53 -6.864 -3.042 11.074 417 H SER 54 HN SER 54 -1.382 -1.966 10.696 418 HA SER 54 HA SER 54 -1.230 0.837 11.473 419 HB2 SER 54 2HB SER 54 -0.068 -1.597 12.779 420 HB3 SER 54 1HB SER 54 0.694 -0.035 12.948 421 HG SER 54 HG SER 54 -1.685 0.552 13.521 422 H TYR 55 HN TYR 55 -0.800 -0.893 9.027 423 HA TYR 55 HA TYR 55 2.060 -0.472 8.564 424 HB2 TYR 55 2HB TYR 55 1.669 -1.930 6.539 425 HB3 TYR 55 1HB TYR 55 1.430 -2.724 8.091 426 HD1 TYR 55 1HD TYR 55 -0.271 -1.385 5.108 427 HD2 TYR 55 2HD TYR 55 -0.724 -3.549 8.745 428 HE1 TYR 55 1HE TYR 55 -2.501 -2.121 4.384 429 HE2 TYR 55 2HE TYR 55 -2.960 -4.290 8.030 430 HH TYR 55 HH TYR 55 -4.740 -3.577 6.480 431 H GLU 56 HN GLU 56 2.796 0.814 6.942 432 HA GLU 56 HA GLU 56 0.774 2.290 5.398 433 HB2 GLU 56 2HB GLU 56 3.167 3.411 6.852 434 HB3 GLU 56 1HB GLU 56 2.361 4.277 5.559 435 HG2 GLU 56 2HG GLU 56 1.444 5.183 7.476 436 HG3 GLU 56 1HG GLU 56 0.236 4.012 6.960 437 H VAL 57 HN VAL 57 1.500 3.113 3.373 438 HA VAL 57 HA VAL 57 3.839 1.700 2.278 439 HB VAL 57 HB VAL 57 1.490 2.884 0.776 440 HG11 VAL 57 1HG1 VAL 57 3.745 1.125 -0.177 441 HG12 VAL 57 2HG1 VAL 57 3.560 2.846 -0.516 442 HG13 VAL 57 3HG1 VAL 57 2.387 1.691 -1.150 443 HG21 VAL 57 3HG2 VAL 57 0.828 0.546 0.361 444 HG22 VAL 57 1HG2 VAL 57 0.755 0.975 2.071 445 HG23 VAL 57 2HG2 VAL 57 2.100 0.009 1.461 446 H PHE 58 HN PHE 58 5.554 2.909 1.724 447 HA PHE 58 HA PHE 58 5.167 5.795 1.325 448 HB2 PHE 58 2HB PHE 58 7.244 4.497 3.100 449 HB3 PHE 58 1HB PHE 58 7.286 6.182 2.607 450 HD1 PHE 58 1HD PHE 58 4.963 7.454 3.109 451 HD2 PHE 58 2HD PHE 58 6.447 4.048 5.180 452 HE1 PHE 58 1HE PHE 58 3.624 8.072 5.083 453 HE2 PHE 58 2HE PHE 58 5.107 4.654 7.149 454 HZ PHE 58 HZ PHE 58 3.695 6.671 7.105 455 H VAL 59 HN VAL 59 6.720 6.822 0.062 456 HA VAL 59 HA VAL 59 8.886 5.138 -1.020 457 HB VAL 59 HB VAL 59 7.647 7.477 -2.465 458 HG11 VAL 59 1HG1 VAL 59 9.972 7.118 -3.005 459 HG12 VAL 59 2HG1 VAL 59 8.947 6.681 -4.372 460 HG13 VAL 59 3HG1 VAL 59 9.648 5.420 -3.357 461 HG21 VAL 59 3HG2 VAL 59 6.660 5.855 -3.998 462 HG22 VAL 59 1HG2 VAL 59 6.052 5.631 -2.359 463 HG23 VAL 59 2HG2 VAL 59 7.276 4.535 -3.003 464 H ASP 60 HN ASP 60 10.898 5.969 -0.774 465 HA ASP 60 HA ASP 60 11.065 8.473 0.741 466 HB2 ASP 60 2HB ASP 60 12.062 6.406 1.763 467 HB3 ASP 60 1HB ASP 60 13.218 6.371 0.433 468 H LEU 61 HN LEU 61 11.598 10.188 -0.343 469 HA LEU 61 HA LEU 61 13.413 9.899 -2.640 470 HB2 LEU 61 2HB LEU 61 11.008 11.714 -2.437 471 HB3 LEU 61 1HB LEU 61 12.128 11.647 -3.787 472 HG LEU 61 HG LEU 61 10.415 9.328 -2.893 473 HD11 LEU 61 1HD1 LEU 61 9.040 9.785 -4.827 474 HD12 LEU 61 2HD1 LEU 61 10.020 11.203 -5.213 475 HD13 LEU 61 3HD1 LEU 61 9.052 11.172 -3.739 476 HD21 LEU 61 3HD2 LEU 61 11.057 8.369 -5.054 477 HD22 LEU 61 1HD2 LEU 61 12.461 8.664 -4.030 478 HD23 LEU 61 2HD2 LEU 61 12.096 9.762 -5.359 479 H THR 62 HN THR 62 14.206 10.442 -0.036 480 HA THR 62 HA THR 62 14.625 13.292 0.225 481 HB THR 62 HB THR 62 16.024 12.676 2.187 482 HG1 THR 62 1HG THR 62 15.200 9.986 1.639 483 HG21 THR 62 3HG2 THR 62 13.628 13.063 2.467 484 HG22 THR 62 1HG2 THR 62 14.191 11.807 3.568 485 HG23 THR 62 2HG2 THR 62 13.300 11.367 2.112 486 H GLU 63 HN GLU 63 16.215 10.587 -1.196 487 HA GLU 63 HA GLU 63 18.721 12.052 -1.520 488 HB2 GLU 63 2HB GLU 63 17.955 9.238 -2.274 489 HB3 GLU 63 1HB GLU 63 19.568 9.930 -2.401 490 HG2 GLU 63 2HG GLU 63 18.141 9.914 0.216 491 HG3 GLU 63 1HG GLU 63 18.950 8.472 -0.371 492 H ALA 64 HN ALA 64 15.935 10.981 -3.252 493 HA ALA 64 HA ALA 64 16.919 11.117 -5.889 494 HB1 ALA 64 1HB ALA 64 14.857 9.946 -5.267 495 HB2 ALA 64 2HB ALA 64 14.593 11.099 -6.576 496 HB3 ALA 64 3HB ALA 64 14.087 11.496 -4.934 497 H GLY 65 HN GLY 65 16.514 12.682 -7.535 498 HA2 GLY 65 2HA GLY 65 16.707 15.398 -6.486 499 HA3 GLY 65 1HA GLY 65 17.198 14.869 -8.087 500 H GLU 66 HN GLU 66 16.086 16.127 -9.401 501 HA GLU 66 HA GLU 66 13.372 16.921 -8.740 502 HB2 GLU 66 2HB GLU 66 13.636 18.622 -10.359 503 HB3 GLU 66 1HB GLU 66 15.172 18.516 -9.528 504 HG2 GLU 66 2HG GLU 66 14.507 17.507 -12.284 505 HG3 GLU 66 1HG GLU 66 15.595 18.821 -11.850 506 H GLY 67 HN GLY 67 11.977 17.230 -10.896 507 HA2 GLY 67 2HA GLY 67 10.880 16.345 -12.681 508 HA3 GLY 67 1HA GLY 67 12.300 15.360 -12.984 509 H SER 68 HN SER 68 10.294 14.015 -13.590 510 HA SER 68 HA SER 68 9.283 12.514 -11.329 511 HB2 SER 68 2HB SER 68 7.896 12.861 -13.356 512 HB3 SER 68 1HB SER 68 9.034 11.880 -14.276 513 HG SER 68 HG SER 68 6.967 11.044 -12.925 514 H HIS 69 HN HIS 69 10.018 10.687 -10.618 515 HA HIS 69 HA HIS 69 12.252 9.392 -11.986 516 HB2 HIS 69 2HB HIS 69 13.229 9.132 -9.537 517 HB3 HIS 69 1HB HIS 69 13.589 10.542 -10.524 518 HD1 HIS 69 1HD HIS 69 12.975 12.778 -9.578 519 HD2 HIS 69 2HD HIS 69 11.186 9.635 -7.525 520 HE1 HIS 69 1HE HIS 69 11.891 13.818 -7.568 521 HE2 HIS 69 2HE HIS 69 10.663 11.928 -6.448 522 H THR 70 HN THR 70 12.055 7.292 -12.083 523 HA THR 70 HA THR 70 9.868 6.048 -10.596 524 HB THR 70 HB THR 70 11.406 4.902 -12.930 525 HG1 THR 70 1HG THR 70 10.419 6.847 -13.576 526 HG21 THR 70 3HG2 THR 70 9.353 3.560 -13.215 527 HG22 THR 70 1HG2 THR 70 8.699 4.286 -11.745 528 HG23 THR 70 2HG2 THR 70 10.135 3.265 -11.662 529 H VAL 71 HN VAL 71 10.345 4.947 -8.838 530 HA VAL 71 HA VAL 71 12.799 3.323 -8.741 531 HB VAL 71 HB VAL 71 13.109 3.923 -6.344 532 HG11 VAL 71 1HG1 VAL 71 14.135 6.111 -6.723 533 HG12 VAL 71 2HG1 VAL 71 13.253 6.262 -8.242 534 HG13 VAL 71 3HG1 VAL 71 14.473 5.002 -8.053 535 HG21 VAL 71 3HG2 VAL 71 10.864 4.677 -5.829 536 HG22 VAL 71 1HG2 VAL 71 11.043 6.036 -6.938 537 HG23 VAL 71 2HG2 VAL 71 12.026 5.957 -5.476 538 H ASP 72 HN ASP 72 12.649 1.696 -6.847 539 HA ASP 72 HA ASP 72 10.014 0.495 -6.990 540 HB2 ASP 72 2HB ASP 72 11.011 -1.430 -5.870 541 HB3 ASP 72 1HB ASP 72 11.996 -0.932 -7.239 542 H VAL 73 HN VAL 73 8.814 -0.168 -5.135 543 HA VAL 73 HA VAL 73 8.807 2.001 -3.189 544 HB VAL 73 HB VAL 73 6.710 -0.092 -3.770 545 HG11 VAL 73 1HG1 VAL 73 6.560 2.396 -2.073 546 HG12 VAL 73 2HG1 VAL 73 6.542 0.734 -1.485 547 HG13 VAL 73 3HG1 VAL 73 5.205 1.338 -2.468 548 HG21 VAL 73 3HG2 VAL 73 5.509 1.720 -4.885 549 HG22 VAL 73 1HG2 VAL 73 7.076 1.431 -5.642 550 HG23 VAL 73 2HG2 VAL 73 6.858 2.813 -4.567 551 H GLU 74 HN GLU 74 9.387 1.797 -1.162 552 HA GLU 74 HA GLU 74 9.827 -0.827 0.028 553 HB2 GLU 74 2HB GLU 74 10.861 1.873 0.463 554 HB3 GLU 74 1HB GLU 74 10.426 1.064 1.963 555 HG2 GLU 74 2HG GLU 74 12.177 -0.215 -0.116 556 HG3 GLU 74 1HG GLU 74 12.814 0.805 1.172 557 H HIS 75 HN HIS 75 8.923 -1.340 2.132 558 HA HIS 75 HA HIS 75 6.543 0.137 2.902 559 HB2 HIS 75 2HB HIS 75 5.182 -2.062 2.705 560 HB3 HIS 75 1HB HIS 75 5.447 -1.101 1.256 561 HD1 HIS 75 1HD HIS 75 6.774 -2.158 -0.630 562 HD2 HIS 75 2HD HIS 75 6.701 -4.498 2.805 563 HE1 HIS 75 1HE HIS 75 7.716 -4.381 -1.312 564 HE2 HIS 75 2HE HIS 75 7.854 -5.711 0.820 565 H ARG 76 HN ARG 76 5.709 -0.442 4.937 566 HA ARG 76 HA ARG 76 7.037 -2.563 6.423 567 HB2 ARG 76 2HB ARG 76 7.465 0.336 6.910 568 HB3 ARG 76 1HB ARG 76 7.253 -0.688 8.324 569 HG2 ARG 76 2HG ARG 76 9.317 -1.073 6.164 570 HG3 ARG 76 1HG ARG 76 9.606 -0.411 7.777 571 HD2 ARG 76 2HD ARG 76 8.919 -2.508 8.786 572 HD3 ARG 76 1HD ARG 76 8.534 -3.172 7.203 573 HE ARG 76 HE ARG 76 11.258 -2.317 7.418 574 HH11 ARG 76 1HH1 ARG 76 9.030 -4.911 8.175 575 HH12 ARG 76 2HH1 ARG 76 10.252 -6.150 8.145 576 HH21 ARG 76 1HH2 ARG 76 12.879 -3.936 7.387 577 HH22 ARG 76 2HH2 ARG 76 12.449 -5.595 7.698 578 H GLY 77 HN GLY 77 6.018 -3.105 8.390 579 HA2 GLY 77 2HA GLY 77 4.100 -2.402 9.914 580 HA3 GLY 77 1HA GLY 77 3.171 -2.339 8.419 581 H PHE 78 HN PHE 78 3.533 -4.418 7.053 582 HA PHE 78 HA PHE 78 2.934 -6.712 8.720 583 HB2 PHE 78 2HB PHE 78 2.747 -7.800 6.354 584 HB3 PHE 78 1HB PHE 78 1.508 -6.664 6.877 585 HD1 PHE 78 1HD PHE 78 4.527 -7.033 4.768 586 HD2 PHE 78 2HD PHE 78 1.127 -4.654 5.722 587 HE1 PHE 78 1HE PHE 78 4.926 -5.658 2.769 588 HE2 PHE 78 2HE PHE 78 1.523 -3.278 3.725 589 HZ PHE 78 HZ PHE 78 3.423 -3.780 2.244 590 HA PRO 79 HA PRO 79 6.948 -8.479 8.804 591 HB2 PRO 79 2HB PRO 79 5.802 -11.104 8.084 592 HB3 PRO 79 1HB PRO 79 6.667 -10.615 9.544 593 HG2 PRO 79 2HG PRO 79 4.033 -11.062 9.581 594 HG3 PRO 79 1HG PRO 79 4.768 -9.770 10.548 595 HD2 PRO 79 2HD PRO 79 3.278 -9.585 7.956 596 HD3 PRO 79 1HD PRO 79 3.201 -8.522 9.377 597 H GLY 80 HN GLY 80 8.619 -8.692 7.437 598 HA2 GLY 80 2HA GLY 80 8.125 -8.759 4.602 599 HA3 GLY 80 1HA GLY 80 9.692 -8.639 5.386 600 H ASP 81 HN ASP 81 8.414 -11.163 6.883 601 HA ASP 81 HA ASP 81 9.902 -13.159 5.616 602 HB2 ASP 81 2HB ASP 81 9.028 -13.327 7.942 603 HB3 ASP 81 1HB ASP 81 7.413 -13.523 7.280 604 H LEU 82 HN LEU 82 6.444 -12.561 5.551 605 HA LEU 82 HA LEU 82 5.757 -14.590 3.739 606 HB2 LEU 82 2HB LEU 82 4.309 -11.988 4.240 607 HB3 LEU 82 1HB LEU 82 3.620 -13.448 3.559 608 HG LEU 82 HG LEU 82 4.684 -13.217 6.375 609 HD11 LEU 82 1HD1 LEU 82 2.718 -11.816 6.078 610 HD12 LEU 82 2HD1 LEU 82 2.334 -13.234 7.056 611 HD13 LEU 82 3HD1 LEU 82 1.846 -13.171 5.363 612 HD21 LEU 82 3HD2 LEU 82 3.078 -15.379 5.026 613 HD22 LEU 82 1HD2 LEU 82 3.557 -15.350 6.723 614 HD23 LEU 82 2HD2 LEU 82 4.784 -15.478 5.460 615 H ALA 83 HN ALA 83 4.855 -14.267 1.571 616 HA ALA 83 HA ALA 83 6.584 -12.624 -0.051 617 HB1 ALA 83 1HB ALA 83 5.365 -13.600 -1.947 618 HB2 ALA 83 2HB ALA 83 4.239 -14.366 -0.827 619 HB3 ALA 83 3HB ALA 83 5.934 -14.848 -0.837 620 H VAL 84 HN VAL 84 6.196 -10.532 -0.240 621 HA VAL 84 HA VAL 84 3.496 -9.534 0.216 622 HB VAL 84 HB VAL 84 6.083 -8.005 -0.121 623 HG11 VAL 84 1HG1 VAL 84 3.359 -7.077 0.780 624 HG12 VAL 84 2HG1 VAL 84 4.142 -6.676 -0.749 625 HG13 VAL 84 3HG1 VAL 84 4.826 -6.099 0.772 626 HG21 VAL 84 3HG2 VAL 84 6.094 -9.376 1.894 627 HG22 VAL 84 1HG2 VAL 84 4.544 -8.689 2.381 628 HG23 VAL 84 2HG2 VAL 84 5.978 -7.663 2.299 629 H THR 85 HN THR 85 2.225 -9.361 -1.479 630 HA THR 85 HA THR 85 3.424 -8.901 -4.114 631 HB THR 85 HB THR 85 0.541 -9.544 -3.677 632 HG1 THR 85 1HG THR 85 1.045 -11.474 -2.959 633 HG21 THR 85 3HG2 THR 85 1.248 -8.935 -5.916 634 HG22 THR 85 1HG2 THR 85 0.798 -10.641 -5.868 635 HG23 THR 85 2HG2 THR 85 2.501 -10.178 -5.880 636 H VAL 86 HN VAL 86 3.298 -6.996 -4.926 637 HA VAL 86 HA VAL 86 1.107 -5.166 -4.202 638 HB VAL 86 HB VAL 86 3.549 -3.754 -4.887 639 HG11 VAL 86 1HG1 VAL 86 1.621 -2.698 -3.864 640 HG12 VAL 86 2HG1 VAL 86 3.036 -2.501 -2.827 641 HG13 VAL 86 3HG1 VAL 86 1.802 -3.694 -2.419 642 HG21 VAL 86 3HG2 VAL 86 4.786 -4.145 -2.774 643 HG22 VAL 86 1HG2 VAL 86 4.787 -5.522 -3.877 644 HG23 VAL 86 2HG2 VAL 86 3.736 -5.529 -2.457 645 H GLU 87 HN GLU 87 0.409 -3.895 -6.139 646 HA GLU 87 HA GLU 87 2.653 -3.936 -8.040 647 HB2 GLU 87 2HB GLU 87 -0.265 -4.095 -8.733 648 HB3 GLU 87 1HB GLU 87 0.957 -3.607 -9.896 649 HG2 GLU 87 2HG GLU 87 2.107 -5.796 -9.416 650 HG3 GLU 87 1HG GLU 87 0.653 -6.259 -8.534 651 HA PRO 88 HA PRO 88 3.331 -0.793 -9.382 652 HB2 PRO 88 2HB PRO 88 4.704 0.905 -7.791 653 HB3 PRO 88 1HB PRO 88 3.005 1.157 -8.174 654 HG2 PRO 88 2HG PRO 88 4.191 0.484 -5.614 655 HG3 PRO 88 1HG PRO 88 2.495 0.857 -5.966 656 HD2 PRO 88 2HD PRO 88 3.843 -1.797 -5.768 657 HD3 PRO 88 1HD PRO 88 2.132 -1.377 -5.503 658 H ARG 89 HN ARG 89 5.252 -1.677 -10.129 659 HA ARG 89 HA ARG 89 6.780 -3.162 -8.111 660 HB2 ARG 89 2HB ARG 89 6.984 -3.258 -11.139 661 HB3 ARG 89 1HB ARG 89 7.949 -4.232 -10.033 662 HG2 ARG 89 2HG ARG 89 5.647 -4.951 -9.083 663 HG3 ARG 89 1HG ARG 89 5.035 -4.392 -10.639 664 HD2 ARG 89 2HD ARG 89 6.687 -5.874 -11.743 665 HD3 ARG 89 1HD ARG 89 7.123 -6.508 -10.162 666 HE ARG 89 HE ARG 89 4.431 -6.764 -11.353 667 HH11 ARG 89 1HH1 ARG 89 7.087 -8.025 -9.454 668 HH12 ARG 89 2HH1 ARG 89 6.267 -9.503 -9.036 669 HH21 ARG 89 1HH2 ARG 89 3.352 -8.704 -10.836 670 HH22 ARG 89 2HH2 ARG 89 4.136 -9.901 -9.848 671 H MET 90 HN MET 90 7.162 -0.821 -10.667 672 HA MET 90 HA MET 90 9.045 0.589 -8.916 673 HB2 MET 90 2HB MET 90 9.082 0.556 -11.956 674 HB3 MET 90 1HB MET 90 10.085 1.583 -10.942 675 HG2 MET 90 2HG MET 90 11.174 -0.395 -10.013 676 HG3 MET 90 1HG MET 90 10.167 -1.425 -11.028 677 HE1 MET 90 3HE MET 90 11.825 2.037 -11.968 678 HE2 MET 90 1HE MET 90 13.364 1.493 -12.636 679 HE3 MET 90 2HE MET 90 13.011 1.254 -10.924 680 H ALA 91 HN ALA 91 8.434 2.708 -8.560 681 HA ALA 91 HA ALA 91 5.862 3.448 -9.798 682 HB1 ALA 91 1HB ALA 91 5.217 4.455 -7.674 683 HB2 ALA 91 2HB ALA 91 6.750 3.954 -6.961 684 HB3 ALA 91 3HB ALA 91 5.579 2.739 -7.477 685 H ARG 92 HN ARG 92 5.458 5.641 -10.116 686 HA ARG 92 HA ARG 92 7.921 7.213 -10.377 687 HB2 ARG 92 2HB ARG 92 6.786 8.446 -12.151 688 HB3 ARG 92 1HB ARG 92 6.761 6.722 -12.494 689 HG2 ARG 92 2HG ARG 92 4.491 6.535 -12.070 690 HG3 ARG 92 1HG ARG 92 4.445 8.021 -11.122 691 HD2 ARG 92 2HD ARG 92 3.382 8.493 -13.179 692 HD3 ARG 92 1HD ARG 92 4.964 9.266 -13.237 693 HE ARG 92 HE ARG 92 5.587 7.093 -14.511 694 HH11 ARG 92 1HH1 ARG 92 2.548 8.825 -14.673 695 HH12 ARG 92 2HH1 ARG 92 2.200 8.330 -16.302 696 HH21 ARG 92 1HH2 ARG 92 5.131 6.424 -16.654 697 HH22 ARG 92 2HH2 ARG 92 3.676 6.967 -17.436 698 H VAL 93 HN VAL 93 8.149 8.944 -9.155 699 HA VAL 93 HA VAL 93 5.722 10.406 -8.364 700 HB VAL 93 HB VAL 93 8.210 10.194 -6.651 701 HG11 VAL 93 1HG1 VAL 93 6.834 11.328 -4.964 702 HG12 VAL 93 2HG1 VAL 93 5.513 11.442 -6.126 703 HG13 VAL 93 3HG1 VAL 93 7.023 12.307 -6.419 704 HG21 VAL 93 3HG2 VAL 93 5.515 8.893 -6.253 705 HG22 VAL 93 1HG2 VAL 93 6.851 8.864 -5.106 706 HG23 VAL 93 2HG2 VAL 93 7.013 8.062 -6.669 707 H GLN 94 HN GLN 94 5.719 12.382 -9.195 708 HA GLN 94 HA GLN 94 8.237 13.364 -10.331 709 HB2 GLN 94 2HB GLN 94 6.285 13.142 -11.833 710 HB3 GLN 94 1HB GLN 94 5.395 14.275 -10.828 711 HG2 GLN 94 2HG GLN 94 6.942 16.044 -11.392 712 HG3 GLN 94 1HG GLN 94 7.926 14.920 -12.322 713 HE21 GLN 94 1HE2 GLN 94 6.676 17.340 -13.207 714 HE22 GLN 94 2HE2 GLN 94 5.611 16.891 -14.487 715 H LEU 95 HN LEU 95 9.339 14.788 -9.212 716 HA LEU 95 HA LEU 95 7.883 16.713 -7.536 717 HB2 LEU 95 2HB LEU 95 10.812 15.966 -7.598 718 HB3 LEU 95 1HB LEU 95 10.138 17.235 -6.593 719 HG LEU 95 HG LEU 95 9.473 14.293 -6.399 720 HD11 LEU 95 1HD1 LEU 95 10.668 14.388 -4.273 721 HD12 LEU 95 2HD1 LEU 95 11.088 16.073 -4.578 722 HD13 LEU 95 3HD1 LEU 95 11.728 14.803 -5.620 723 HD21 LEU 95 3HD2 LEU 95 8.256 14.926 -4.369 724 HD22 LEU 95 1HD2 LEU 95 7.573 15.696 -5.802 725 HD23 LEU 95 2HD2 LEU 95 8.590 16.625 -4.700 726 H GLU 96 HN GLU 96 7.718 18.758 -8.253 727 HA GLU 96 HA GLU 96 9.184 19.341 -10.740 728 HB2 GLU 96 2HB GLU 96 6.751 18.897 -11.008 729 HB3 GLU 96 1HB GLU 96 6.416 20.257 -9.950 730 HG2 GLU 96 2HG GLU 96 6.114 20.884 -12.256 731 HG3 GLU 96 1HG GLU 96 7.472 21.764 -11.554 732 H GLU 97 HN GLU 97 10.261 21.210 -10.889 733 HA GLU 97 HA GLU 97 10.322 23.004 -8.645 734 HB2 GLU 97 2HB GLU 97 11.858 24.315 -10.211 735 HB3 GLU 97 1HB GLU 97 12.415 22.739 -9.686 736 HG2 GLU 97 2HG GLU 97 11.679 21.795 -11.838 737 HG3 GLU 97 1HG GLU 97 11.185 23.407 -12.354 738 H ARG 98 HN ARG 98 8.063 23.429 -8.717 739 HA ARG 98 HA ARG 98 7.066 24.961 -10.989 740 HB2 ARG 98 2HB ARG 98 5.779 23.036 -10.058 741 HB3 ARG 98 1HB ARG 98 5.579 23.923 -8.562 742 HG2 ARG 98 2HG ARG 98 4.085 25.403 -9.495 743 HG3 ARG 98 1HG ARG 98 4.675 25.130 -11.135 744 HD2 ARG 98 2HD ARG 98 2.483 24.149 -10.852 745 HD3 ARG 98 1HD ARG 98 3.686 22.893 -11.111 746 HE ARG 98 HE ARG 98 3.572 22.470 -8.670 747 HH11 ARG 98 1HH1 ARG 98 0.971 24.289 -10.168 748 HH12 ARG 98 2HH1 ARG 98 -0.252 23.685 -9.090 749 HH21 ARG 98 1HH2 ARG 98 1.954 21.639 -7.271 750 HH22 ARG 98 2HH2 ARG 98 0.307 22.187 -7.442 751 H GLN 99 HN GLN 99 5.411 26.714 -10.183 752 HA GLN 99 HA GLN 99 7.055 28.714 -8.981 753 HB2 GLN 99 2HB GLN 99 5.383 28.936 -10.923 754 HB3 GLN 99 1HB GLN 99 4.141 28.992 -9.679 755 HG2 GLN 99 2HG GLN 99 5.031 30.979 -8.760 756 HG3 GLN 99 1HG GLN 99 6.483 30.857 -9.753 757 HE21 GLN 99 1HE2 GLN 99 4.499 33.017 -9.538 758 HE22 GLN 99 2HE2 GLN 99 3.913 33.269 -11.150 759 H THR 100 HN THR 100 5.259 26.342 -7.625 760 HA THR 100 HA THR 100 4.537 27.944 -5.274 761 HB THR 100 HB THR 100 3.283 25.781 -4.637 762 HG1 THR 100 1HG THR 100 4.185 24.415 -6.216 763 HG21 THR 100 3HG2 THR 100 2.376 27.412 -7.013 764 HG22 THR 100 1HG2 THR 100 2.143 27.832 -5.318 765 HG23 THR 100 2HG2 THR 100 1.332 26.419 -5.996 766 H VAL 101 HN VAL 101 6.409 28.039 -4.115 767 HA VAL 101 HA VAL 101 7.767 25.480 -3.546 768 HB VAL 101 HB VAL 101 9.764 26.833 -2.957 769 HG11 VAL 101 1HG1 VAL 101 10.381 27.440 -5.258 770 HG12 VAL 101 2HG1 VAL 101 8.692 27.291 -5.743 771 HG13 VAL 101 3HG1 VAL 101 9.579 25.873 -5.184 772 HG21 VAL 101 3HG2 VAL 101 8.646 28.910 -2.355 773 HG22 VAL 101 1HG2 VAL 101 8.139 29.139 -4.028 774 HG23 VAL 101 2HG2 VAL 101 9.851 29.194 -3.610 775 H SER 102 HN SER 102 5.431 26.994 -2.233 776 HA SER 102 HA SER 102 6.511 27.417 0.446 777 HB2 SER 102 2HB SER 102 4.079 28.182 0.846 778 HB3 SER 102 1HB SER 102 5.091 29.183 -0.196 779 HG SER 102 HG SER 102 2.779 28.275 -0.815 780 H VAL 103 HN VAL 103 6.486 24.752 -0.523 781 HA VAL 103 HA VAL 103 4.226 23.468 0.809 782 HB VAL 103 HB VAL 103 6.491 22.189 -0.734 783 HG11 VAL 103 1HG1 VAL 103 5.001 20.228 -0.823 784 HG12 VAL 103 2HG1 VAL 103 3.859 21.067 0.226 785 HG13 VAL 103 3HG1 VAL 103 5.463 20.642 0.829 786 HG21 VAL 103 3HG2 VAL 103 5.152 23.657 -2.155 787 HG22 VAL 103 1HG2 VAL 103 3.686 22.833 -1.625 788 HG23 VAL 103 2HG2 VAL 103 4.897 21.960 -2.564 789 HA PRO 104 HA PRO 104 7.101 22.862 4.232 790 HB2 PRO 104 2HB PRO 104 5.272 23.052 6.194 791 HB3 PRO 104 1HB PRO 104 5.880 24.472 5.338 792 HG2 PRO 104 2HG PRO 104 3.245 23.166 5.166 793 HG3 PRO 104 1HG PRO 104 3.705 24.829 4.774 794 HD2 PRO 104 2HD PRO 104 3.348 22.608 2.974 795 HD3 PRO 104 1HD PRO 104 3.777 24.283 2.580 796 H VAL 105 HN VAL 105 7.772 20.937 4.997 797 HA VAL 105 HA VAL 105 6.048 18.623 4.798 798 HB VAL 105 HB VAL 105 7.986 17.334 5.635 799 HG11 VAL 105 1HG1 VAL 105 9.441 17.705 3.687 800 HG12 VAL 105 2HG1 VAL 105 8.599 19.218 3.362 801 HG13 VAL 105 3HG1 VAL 105 7.733 17.687 3.251 802 HG21 VAL 105 3HG2 VAL 105 8.964 19.045 7.091 803 HG22 VAL 105 1HG2 VAL 105 9.410 19.996 5.677 804 HG23 VAL 105 2HG2 VAL 105 10.152 18.418 5.945 805 H THR 106 HN THR 106 6.913 20.911 7.196 806 HA THR 106 HA THR 106 6.258 19.228 9.451 807 HB THR 106 HB THR 106 6.376 22.232 9.498 808 HG1 THR 106 1HG THR 106 8.301 21.730 8.542 809 HG21 THR 106 3HG2 THR 106 7.121 20.130 11.537 810 HG22 THR 106 1HG2 THR 106 5.648 21.100 11.551 811 HG23 THR 106 2HG2 THR 106 7.216 21.875 11.768 812 H VAL 107 HN VAL 107 4.200 18.721 8.148 813 HA VAL 107 HA VAL 107 2.089 20.639 8.075 814 HB VAL 107 HB VAL 107 1.893 17.628 7.893 815 HG11 VAL 107 1HG1 VAL 107 0.019 19.767 6.890 816 HG12 VAL 107 2HG1 VAL 107 -0.246 18.750 8.306 817 HG13 VAL 107 3HG1 VAL 107 -0.181 18.026 6.698 818 HG21 VAL 107 3HG2 VAL 107 2.267 19.661 5.692 819 HG22 VAL 107 1HG2 VAL 107 1.986 17.936 5.461 820 HG23 VAL 107 2HG2 VAL 107 3.469 18.490 6.241 821 H GLU 108 HN GLU 108 2.901 17.945 10.237 822 HA GLU 108 HA GLU 108 1.281 19.140 12.326 823 HB2 GLU 108 2HB GLU 108 -0.183 17.568 10.948 824 HB3 GLU 108 1HB GLU 108 0.821 16.257 11.551 825 HG2 GLU 108 2HG GLU 108 -1.224 16.469 12.833 826 HG3 GLU 108 1HG GLU 108 0.189 16.811 13.834 827 H MET 109 HN MET 109 2.337 18.960 14.216 828 HA MET 109 HA MET 109 4.730 17.389 14.349 829 HB2 MET 109 2HB MET 109 3.326 19.137 16.355 830 HB3 MET 109 1HB MET 109 4.750 18.198 16.772 831 HG2 MET 109 2HG MET 109 5.971 19.352 14.934 832 HG3 MET 109 1HG MET 109 4.558 20.380 14.717 833 HE1 MET 109 3HE MET 109 5.825 18.997 18.156 834 HE2 MET 109 1HE MET 109 6.961 20.252 18.654 835 HE3 MET 109 2HE MET 109 7.332 19.230 17.268 836 H ILE 110 HN ILE 110 3.536 15.410 13.860 837 HA ILE 110 HA ILE 110 2.703 14.081 16.358 838 HB ILE 110 HB ILE 110 1.082 14.219 14.342 839 HG12 ILE 110 2HG1 ILE 110 1.108 12.533 16.379 840 HG13 ILE 110 1HG1 ILE 110 -0.016 12.319 15.044 841 HG21 ILE 110 1HG2 ILE 110 2.661 13.695 12.599 842 HG22 ILE 110 2HG2 ILE 110 1.367 12.495 12.623 843 HG23 ILE 110 3HG2 ILE 110 2.950 12.103 13.298 844 HD11 ILE 110 3HD1 ILE 110 2.593 10.858 15.396 845 HD12 ILE 110 1HD1 ILE 110 1.435 10.618 14.087 846 HD13 ILE 110 2HD1 ILE 110 0.987 10.216 15.745 847 H ASN 111 HN ASN 111 5.240 14.681 14.520 848 HA ASN 111 HA ASN 111 6.319 12.065 14.070 849 HB2 ASN 111 2HB ASN 111 8.355 13.256 13.350 850 HB3 ASN 111 1HB ASN 111 6.916 13.877 12.555 851 HD21 ASN 111 1HD2 ASN 111 9.575 15.064 13.089 852 HD22 ASN 111 2HD2 ASN 111 9.258 16.558 13.900 853 H LEU 112 HN LEU 112 7.346 10.856 15.469 854 HA LEU 112 HA LEU 112 8.282 12.004 17.984 855 HB2 LEU 112 2HB LEU 112 8.190 9.134 17.038 856 HB3 LEU 112 1HB LEU 112 8.649 9.657 18.647 857 HG LEU 112 HG LEU 112 5.919 9.997 17.402 858 HD11 LEU 112 1HD1 LEU 112 6.395 7.679 17.932 859 HD12 LEU 112 2HD1 LEU 112 5.212 8.340 19.059 860 HD13 LEU 112 3HD1 LEU 112 6.888 8.133 19.564 861 HD21 LEU 112 3HD2 LEU 112 6.410 11.805 18.939 862 HD22 LEU 112 1HD2 LEU 112 6.911 10.650 20.174 863 HD23 LEU 112 2HD2 LEU 112 5.230 10.704 19.649 864 H GLU 113 HN GLU 113 10.437 10.612 18.675 865 HA GLU 113 HA GLU 113 12.443 11.589 16.870 866 HB2 GLU 113 2HB GLU 113 14.014 10.528 18.591 867 HB3 GLU 113 1HB GLU 113 13.016 11.875 19.118 868 HG2 GLU 113 2HG GLU 113 11.464 10.342 20.178 869 HG3 GLU 113 1HG GLU 113 12.408 8.967 19.603 870 H HIS 114 HN HIS 114 12.543 10.500 15.028 871 HA HIS 114 HA HIS 114 13.351 7.680 15.183 872 HB2 HIS 114 2HB HIS 114 11.005 7.664 14.491 873 HB3 HIS 114 1HB HIS 114 11.340 8.848 13.234 874 HD1 HIS 114 1HD HIS 114 11.705 5.210 14.048 875 HD2 HIS 114 2HD HIS 114 12.514 7.816 10.901 876 HE1 HIS 114 1HE HIS 114 12.238 3.750 12.068 877 HE2 HIS 114 2HE HIS 114 12.890 5.344 10.226 878 H HIS 115 HN HIS 115 15.431 7.826 14.614 879 HA HIS 115 HA HIS 115 16.393 9.897 12.901 880 HB2 HIS 115 2HB HIS 115 17.573 7.784 14.529 881 HB3 HIS 115 1HB HIS 115 18.431 8.037 13.011 882 HD1 HIS 115 1HD HIS 115 19.520 10.375 12.633 883 HD2 HIS 115 2HD HIS 115 17.832 9.827 16.401 884 HE1 HIS 115 1HE HIS 115 20.407 12.253 14.059 885 HE2 HIS 115 2HE HIS 115 19.454 11.847 16.360 886 H HIS 116 HN HIS 116 15.848 9.901 10.847 887 HA HIS 116 HA HIS 116 15.574 7.590 9.222 888 HB2 HIS 116 2HB HIS 116 14.484 9.721 8.658 889 HB3 HIS 116 1HB HIS 116 16.054 10.488 8.456 890 HD1 HIS 116 1HD HIS 116 17.274 10.103 6.255 891 HD2 HIS 116 2HD HIS 116 13.705 8.006 6.559 892 HE1 HIS 116 1HE HIS 116 16.806 9.230 3.941 893 HE2 HIS 116 2HE HIS 116 14.509 8.201 4.104 894 H HIS 117 HN HIS 117 17.332 6.287 9.203 895 HA HIS 117 HA HIS 117 19.985 7.221 9.287 896 HB2 HIS 117 2HB HIS 117 20.612 4.855 8.690 897 HB3 HIS 117 1HB HIS 117 19.606 5.034 10.118 898 HD1 HIS 117 1HD HIS 117 19.675 3.516 6.725 899 HD2 HIS 117 2HD HIS 117 16.987 4.005 9.863 900 HE1 HIS 117 1HE HIS 117 17.789 1.915 6.264 901 HE2 HIS 117 2HE HIS 117 16.339 2.032 8.324 902 H HIS 118 HN HIS 118 21.487 7.564 7.808 903 HA HIS 118 HA HIS 118 22.498 7.989 5.846 904 HB2 HIS 118 2HB HIS 118 20.934 5.672 5.263 905 HB3 HIS 118 1HB HIS 118 20.905 6.744 3.865 906 HD1 HIS 118 1HD HIS 118 23.192 7.276 2.729 907 HD2 HIS 118 2HD HIS 118 23.369 4.439 5.766 908 HE1 HIS 118 1HE HIS 118 25.423 6.142 2.475 909 HE2 HIS 118 2HE HIS 118 25.585 4.561 4.428 910 H HIS 119 HN HIS 119 21.464 10.098 6.464 911 HA HIS 119 HA HIS 119 21.151 11.498 4.123 912 HB2 HIS 119 2HB HIS 119 18.849 10.532 4.016 913 HB3 HIS 119 1HB HIS 119 18.487 11.307 5.556 914 HD1 HIS 119 1HD HIS 119 17.485 13.589 5.394 915 HD2 HIS 119 2HD HIS 119 19.574 12.548 1.950 916 HE1 HIS 119 1HE HIS 119 17.136 15.489 3.789 917 HE2 HIS 119 2HE HIS 119 18.595 14.938 1.809 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -4.767 -31.975 10.792 2 H2 MET 1 H2 MET 1 -3.591 -30.927 10.165 3 H3 MET 1 H3 MET 1 -3.156 -32.107 11.301 4 HA MET 1 HA MET 1 -3.565 -33.861 9.793 5 HB2 MET 1 2HB MET 1 -4.575 -31.667 7.973 6 HB3 MET 1 1HB MET 1 -4.204 -33.292 7.412 7 HG2 MET 1 2HG MET 1 -5.873 -34.184 8.989 8 HG3 MET 1 1HG MET 1 -6.286 -32.533 9.447 9 HE1 MET 1 2HE MET 1 -8.394 -34.704 8.412 10 HE2 MET 1 3HE MET 1 -9.381 -33.704 7.343 11 HE3 MET 1 1HE MET 1 -8.829 -33.062 8.892 12 HA PRO 2 HA PRO 2 0.567 -33.186 8.403 13 HB2 PRO 2 2HB PRO 2 0.883 -35.202 6.628 14 HB3 PRO 2 1HB PRO 2 0.770 -35.475 8.370 15 HG2 PRO 2 2HG PRO 2 -1.338 -35.768 6.266 16 HG3 PRO 2 1HG PRO 2 -0.967 -36.833 7.635 17 HD2 PRO 2 2HD PRO 2 -3.013 -35.038 7.656 18 HD3 PRO 2 1HD PRO 2 -2.142 -35.532 9.122 19 H THR 3 HN THR 3 -2.067 -32.846 6.305 20 HA THR 3 HA THR 3 -0.572 -32.214 3.935 21 HB THR 3 HB THR 3 -3.001 -31.270 3.363 22 HG1 THR 3 1HG THR 3 -4.403 -31.725 4.878 23 HG21 THR 3 3HG2 THR 3 -1.905 -33.144 2.229 24 HG22 THR 3 1HG2 THR 3 -3.599 -33.513 2.562 25 HG23 THR 3 2HG2 THR 3 -2.331 -34.209 3.569 26 H PHE 4 HN PHE 4 -0.145 -30.196 3.105 27 HA PHE 4 HA PHE 4 -0.354 -28.018 5.028 28 HB2 PHE 4 2HB PHE 4 1.491 -28.581 2.763 29 HB3 PHE 4 1HB PHE 4 1.369 -26.974 3.446 30 HD1 PHE 4 2HD PHE 4 2.309 -30.465 4.135 31 HD2 PHE 4 1HD PHE 4 2.338 -26.450 5.559 32 HE1 PHE 4 2HE PHE 4 3.878 -31.109 5.919 33 HE2 PHE 4 1HE PHE 4 3.903 -27.090 7.344 34 HZ PHE 4 HZ PHE 4 4.676 -29.422 7.525 35 H ASP 5 HN ASP 5 -1.138 -26.034 4.499 36 HA ASP 5 HA ASP 5 -2.490 -25.693 1.947 37 HB2 ASP 5 2HB ASP 5 -4.234 -26.685 3.215 38 HB3 ASP 5 1HB ASP 5 -3.821 -25.762 4.651 39 H HIS 6 HN HIS 6 -1.071 -24.056 1.485 40 HA HIS 6 HA HIS 6 -0.744 -21.798 3.227 41 HB2 HIS 6 2HB HIS 6 0.599 -20.828 1.537 42 HB3 HIS 6 1HB HIS 6 0.916 -22.552 1.415 43 HD1 HIS 6 1HD HIS 6 -0.148 -23.797 -0.674 44 HD2 HIS 6 2HD HIS 6 -0.454 -19.648 -0.720 45 HE1 HIS 6 1HE HIS 6 -0.754 -23.183 -3.039 46 HE2 HIS 6 2HE HIS 6 -0.999 -20.672 -3.031 47 H GLY 7 HN GLY 7 -1.695 -19.762 3.047 48 HA2 GLY 7 2HA GLY 7 -4.233 -19.833 1.548 49 HA3 GLY 7 1HA GLY 7 -4.012 -19.005 3.082 50 H ASN 8 HN ASN 8 -5.136 -17.591 1.200 51 HA ASN 8 HA ASN 8 -3.012 -15.751 0.318 52 HB2 ASN 8 2HB ASN 8 -5.683 -15.984 -1.055 53 HB3 ASN 8 1HB ASN 8 -4.228 -15.200 -1.644 54 HD21 ASN 8 1HD2 ASN 8 -2.661 -16.399 -2.656 55 HD22 ASN 8 2HD2 ASN 8 -2.883 -18.059 -3.103 56 H LEU 9 HN LEU 9 -3.385 -13.598 0.714 57 HA LEU 9 HA LEU 9 -5.926 -12.707 1.768 58 HB2 LEU 9 2HB LEU 9 -4.807 -13.668 3.748 59 HB3 LEU 9 1HB LEU 9 -3.433 -12.616 3.476 60 HG LEU 9 HG LEU 9 -4.910 -10.650 3.861 61 HD11 LEU 9 1HD1 LEU 9 -7.107 -10.992 4.854 62 HD12 LEU 9 2HD1 LEU 9 -6.933 -12.738 4.666 63 HD13 LEU 9 3HD1 LEU 9 -7.033 -11.704 3.240 64 HD21 LEU 9 3HD2 LEU 9 -3.536 -11.556 5.663 65 HD22 LEU 9 1HD2 LEU 9 -4.824 -12.682 6.090 66 HD23 LEU 9 2HD2 LEU 9 -5.069 -10.947 6.286 67 H SER 10 HN SER 10 -6.261 -10.742 0.960 68 HA SER 10 HA SER 10 -3.921 -9.275 -0.008 69 HB2 SER 10 2HB SER 10 -5.806 -8.061 -1.365 70 HB3 SER 10 1HB SER 10 -5.247 -9.659 -1.867 71 HG SER 10 HG SER 10 -7.687 -8.871 -0.815 72 H LEU 11 HN LEU 11 -3.413 -7.340 0.750 73 HA LEU 11 HA LEU 11 -4.899 -6.179 2.916 74 HB2 LEU 11 2HB LEU 11 -2.557 -5.088 1.345 75 HB3 LEU 11 1HB LEU 11 -3.199 -4.390 2.820 76 HG LEU 11 HG LEU 11 -1.874 -7.094 2.563 77 HD11 LEU 11 1HD1 LEU 11 -0.961 -4.552 3.901 78 HD12 LEU 11 2HD1 LEU 11 -0.314 -5.232 2.408 79 HD13 LEU 11 3HD1 LEU 11 -0.116 -6.101 3.930 80 HD21 LEU 11 3HD2 LEU 11 -2.047 -7.211 4.993 81 HD22 LEU 11 1HD2 LEU 11 -3.644 -7.124 4.250 82 HD23 LEU 11 2HD2 LEU 11 -2.946 -5.693 5.011 83 H GLY 12 HN GLY 12 -4.811 -5.885 -0.498 84 HA2 GLY 12 2HA GLY 12 -6.628 -5.001 -1.714 85 HA3 GLY 12 1HA GLY 12 -7.037 -4.002 -0.328 86 H GLU 13 HN GLU 13 -7.219 -2.579 -2.385 87 HA GLU 13 HA GLU 13 -4.826 -1.390 -3.330 88 HB2 GLU 13 2HB GLU 13 -7.620 -0.238 -3.311 89 HB3 GLU 13 1HB GLU 13 -6.283 0.260 -4.341 90 HG2 GLU 13 2HG GLU 13 -7.332 -1.076 -5.811 91 HG3 GLU 13 1HG GLU 13 -6.371 -2.310 -5.016 92 H LEU 14 HN LEU 14 -3.496 -0.469 -1.946 93 HA LEU 14 HA LEU 14 -4.565 1.192 0.223 94 HB2 LEU 14 2HB LEU 14 -1.776 0.111 -0.221 95 HB3 LEU 14 1HB LEU 14 -2.283 1.060 1.165 96 HG LEU 14 HG LEU 14 -3.313 -1.687 0.445 97 HD11 LEU 14 1HD1 LEU 14 -2.080 -2.419 2.419 98 HD12 LEU 14 2HD1 LEU 14 -1.452 -0.786 2.637 99 HD13 LEU 14 3HD1 LEU 14 -1.001 -1.721 1.210 100 HD21 LEU 14 3HD2 LEU 14 -5.006 -0.349 1.570 101 HD22 LEU 14 1HD2 LEU 14 -3.859 0.053 2.848 102 HD23 LEU 14 2HD2 LEU 14 -4.395 -1.613 2.636 103 H GLU 15 HN GLU 15 -3.154 3.131 0.750 104 HA GLU 15 HA GLU 15 -2.947 4.749 -1.648 105 HB2 GLU 15 2HB GLU 15 -2.426 5.578 1.211 106 HB3 GLU 15 1HB GLU 15 -2.766 6.626 -0.157 107 HG2 GLU 15 2HG GLU 15 -5.028 5.783 -0.281 108 HG3 GLU 15 1HG GLU 15 -4.702 4.655 1.036 109 H LEU 16 HN LEU 16 -1.063 5.415 -2.576 110 HA LEU 16 HA LEU 16 1.437 4.469 -1.431 111 HB2 LEU 16 2HB LEU 16 1.105 4.247 -3.846 112 HB3 LEU 16 1HB LEU 16 0.882 5.981 -3.988 113 HG LEU 16 HG LEU 16 3.223 6.310 -3.222 114 HD11 LEU 16 1HD1 LEU 16 3.513 4.250 -1.973 115 HD12 LEU 16 2HD1 LEU 16 4.745 4.398 -3.227 116 HD13 LEU 16 3HD1 LEU 16 3.376 3.310 -3.460 117 HD21 LEU 16 3HD2 LEU 16 2.898 4.552 -5.646 118 HD22 LEU 16 1HD2 LEU 16 4.277 5.597 -5.304 119 HD23 LEU 16 2HD2 LEU 16 2.686 6.302 -5.594 120 H THR 17 HN THR 17 2.400 5.647 0.060 121 HA THR 17 HA THR 17 1.845 8.505 0.245 122 HB THR 17 HB THR 17 3.483 6.785 2.119 123 HG1 THR 17 1HG THR 17 1.225 6.101 1.789 124 HG21 THR 17 3HG2 THR 17 3.819 9.188 2.401 125 HG22 THR 17 1HG2 THR 17 2.920 8.526 3.766 126 HG23 THR 17 2HG2 THR 17 2.076 9.434 2.512 127 H VAL 18 HN VAL 18 3.350 10.083 -0.119 128 HA VAL 18 HA VAL 18 6.003 9.158 -1.019 129 HB VAL 18 HB VAL 18 4.572 11.712 -1.774 130 HG11 VAL 18 1HG1 VAL 18 6.371 11.997 -3.407 131 HG12 VAL 18 2HG1 VAL 18 7.167 10.555 -2.779 132 HG13 VAL 18 3HG1 VAL 18 6.993 11.980 -1.757 133 HG21 VAL 18 3HG2 VAL 18 5.050 9.194 -3.369 134 HG22 VAL 18 1HG2 VAL 18 4.383 10.696 -4.014 135 HG23 VAL 18 2HG2 VAL 18 3.495 9.789 -2.789 136 H LEU 19 HN LEU 19 7.614 9.601 0.306 137 HA LEU 19 HA LEU 19 7.281 11.649 2.364 138 HB2 LEU 19 2HB LEU 19 8.225 9.225 2.670 139 HB3 LEU 19 1HB LEU 19 9.701 9.903 2.019 140 HG LEU 19 HG LEU 19 9.685 9.788 4.487 141 HD11 LEU 19 1HD1 LEU 19 11.068 11.463 3.376 142 HD12 LEU 19 2HD1 LEU 19 10.458 12.052 4.922 143 HD13 LEU 19 3HD1 LEU 19 9.724 12.603 3.415 144 HD21 LEU 19 3HD2 LEU 19 8.269 11.342 5.747 145 HD22 LEU 19 1HD2 LEU 19 7.324 10.133 4.881 146 HD23 LEU 19 2HD2 LEU 19 7.435 11.778 4.255 147 H TYR 20 HN TYR 20 7.970 13.649 1.943 148 HA TYR 20 HA TYR 20 10.428 14.076 0.473 149 HB2 TYR 20 2HB TYR 20 9.423 15.577 -1.192 150 HB3 TYR 20 1HB TYR 20 8.764 13.953 -1.340 151 HD1 TYR 20 2HD TYR 20 6.464 13.496 -0.388 152 HD2 TYR 20 1HD TYR 20 8.016 17.432 -0.820 153 HE1 TYR 20 2HE TYR 20 4.188 14.405 -0.216 154 HE2 TYR 20 1HE TYR 20 5.742 18.354 -0.647 155 HH TYR 20 HH TYR 20 3.387 17.554 -1.061 156 H ASP 21 HN ASP 21 10.629 16.634 0.193 157 HA ASP 21 HA ASP 21 10.105 17.696 2.876 158 HB2 ASP 21 2HB ASP 21 12.469 17.615 2.170 159 HB3 ASP 21 1HB ASP 21 12.086 18.646 0.792 160 H GLU 22 HN GLU 22 8.643 19.205 3.144 161 HA GLU 22 HA GLU 22 6.934 20.176 1.227 162 HB2 GLU 22 2HB GLU 22 7.342 20.428 4.004 163 HB3 GLU 22 1HB GLU 22 7.204 22.062 3.367 164 HG2 GLU 22 2HG GLU 22 5.175 20.956 2.102 165 HG3 GLU 22 1HG GLU 22 5.215 19.902 3.506 166 H GLU 23 HN GLU 23 9.959 21.522 2.374 167 HA GLU 23 HA GLU 23 9.463 24.082 1.125 168 HB2 GLU 23 2HB GLU 23 11.900 23.036 2.579 169 HB3 GLU 23 1HB GLU 23 11.604 24.707 2.124 170 HG2 GLU 23 2HG GLU 23 9.743 24.852 3.618 171 HG3 GLU 23 1HG GLU 23 9.842 23.131 3.974 172 H ARG 24 HN ARG 24 10.190 21.242 -0.138 173 HA ARG 24 HA ARG 24 12.225 22.277 -1.982 174 HB2 ARG 24 2HB ARG 24 11.923 19.766 -0.756 175 HB3 ARG 24 1HB ARG 24 11.516 19.515 -2.448 176 HG2 ARG 24 2HG ARG 24 13.791 19.108 -2.399 177 HG3 ARG 24 1HG ARG 24 13.706 20.786 -2.937 178 HD2 ARG 24 2HD ARG 24 14.259 19.832 -0.127 179 HD3 ARG 24 1HD ARG 24 15.443 20.492 -1.252 180 HE ARG 24 HE ARG 24 13.426 22.390 -0.933 181 HH11 ARG 24 1HH1 ARG 24 15.948 20.867 0.945 182 HH12 ARG 24 2HH1 ARG 24 16.094 22.185 2.064 183 HH21 ARG 24 1HH2 ARG 24 13.609 24.133 0.531 184 HH22 ARG 24 2HH2 ARG 24 14.760 24.046 1.833 185 H TYR 25 HN TYR 25 9.570 19.940 -2.394 186 HA TYR 25 HA TYR 25 8.381 21.559 -4.492 187 HB2 TYR 25 2HB TYR 25 9.447 18.772 -5.020 188 HB3 TYR 25 1HB TYR 25 8.468 19.712 -6.131 189 HD1 TYR 25 2HD TYR 25 9.454 21.976 -6.925 190 HD2 TYR 25 1HD TYR 25 11.770 18.903 -5.104 191 HE1 TYR 25 2HE TYR 25 11.496 22.956 -7.878 192 HE2 TYR 25 1HE TYR 25 13.819 19.880 -6.049 193 HH TYR 25 HH TYR 25 14.374 21.385 -8.121 194 H ASP 26 HN ASP 26 6.479 20.037 -5.476 195 HA ASP 26 HA ASP 26 5.358 18.402 -3.314 196 HB2 ASP 26 2HB ASP 26 4.315 20.679 -3.250 197 HB3 ASP 26 1HB ASP 26 3.716 20.402 -4.883 198 H ILE 27 HN ILE 27 3.537 17.042 -4.087 199 HA ILE 27 HA ILE 27 4.531 15.539 -6.321 200 HB ILE 27 HB ILE 27 1.960 15.018 -4.839 201 HG12 ILE 27 2HG1 ILE 27 4.720 14.063 -4.056 202 HG13 ILE 27 1HG1 ILE 27 3.867 15.374 -3.250 203 HG21 ILE 27 1HG2 ILE 27 2.327 13.694 -6.837 204 HG22 ILE 27 2HG2 ILE 27 2.478 12.681 -5.402 205 HG23 ILE 27 3HG2 ILE 27 3.923 13.220 -6.259 206 HD11 ILE 27 3HD1 ILE 27 2.091 13.829 -2.622 207 HD12 ILE 27 1HD1 ILE 27 3.661 13.304 -2.013 208 HD13 ILE 27 2HD1 ILE 27 2.954 12.516 -3.424 209 H VAL 28 HN VAL 28 4.072 16.083 -8.341 210 HA VAL 28 HA VAL 28 1.558 17.394 -9.004 211 HB VAL 28 HB VAL 28 3.966 16.705 -10.697 212 HG11 VAL 28 1HG1 VAL 28 2.961 18.122 -12.418 213 HG12 VAL 28 2HG1 VAL 28 1.518 18.315 -11.422 214 HG13 VAL 28 3HG1 VAL 28 1.943 16.728 -12.063 215 HG21 VAL 28 3HG2 VAL 28 2.970 19.320 -9.573 216 HG22 VAL 28 1HG2 VAL 28 4.341 19.135 -10.666 217 HG23 VAL 28 2HG2 VAL 28 4.401 18.433 -9.050 218 H GLU 29 HN GLU 29 3.338 14.466 -9.979 219 HA GLU 29 HA GLU 29 0.781 13.113 -10.249 220 HB2 GLU 29 2HB GLU 29 1.400 12.070 -12.388 221 HB3 GLU 29 1HB GLU 29 1.241 13.812 -12.529 222 HG2 GLU 29 2HG GLU 29 3.226 13.860 -13.489 223 HG3 GLU 29 1HG GLU 29 3.937 13.355 -11.958 224 H GLN 30 HN GLN 30 0.987 10.779 -10.212 225 HA GLN 30 HA GLN 30 3.381 9.507 -9.405 226 HB2 GLN 30 2HB GLN 30 3.113 9.359 -7.050 227 HB3 GLN 30 1HB GLN 30 2.906 11.060 -7.431 228 HG2 GLN 30 2HG GLN 30 0.648 9.119 -6.967 229 HG3 GLN 30 1HG GLN 30 1.305 10.206 -5.749 230 HE21 GLN 30 1HE2 GLN 30 -1.390 9.987 -6.896 231 HE22 GLN 30 2HE2 GLN 30 -1.765 11.556 -7.514 232 H THR 31 HN THR 31 2.668 7.402 -8.069 233 HA THR 31 HA THR 31 0.423 6.215 -9.472 234 HB THR 31 HB THR 31 2.234 5.005 -7.368 235 HG1 THR 31 1HG THR 31 2.617 5.576 -10.026 236 HG21 THR 31 3HG2 THR 31 0.401 3.723 -9.402 237 HG22 THR 31 1HG2 THR 31 0.150 3.768 -7.655 238 HG23 THR 31 2HG2 THR 31 1.502 2.860 -8.330 239 H GLU 32 HN GLU 32 -1.558 6.595 -8.707 240 HA GLU 32 HA GLU 32 -2.071 7.820 -6.241 241 HB2 GLU 32 2HB GLU 32 -3.993 6.322 -8.030 242 HB3 GLU 32 1HB GLU 32 -4.448 7.441 -6.756 243 HG2 GLU 32 2HG GLU 32 -4.652 8.717 -8.659 244 HG3 GLU 32 1HG GLU 32 -3.055 9.163 -8.071 245 H THR 33 HN THR 33 -2.832 4.483 -7.261 246 HA THR 33 HA THR 33 -2.913 3.751 -4.416 247 HB THR 33 HB THR 33 -4.744 2.081 -5.152 248 HG1 THR 33 1HG THR 33 -5.510 3.978 -7.047 249 HG21 THR 33 3HG2 THR 33 -6.517 3.758 -4.780 250 HG22 THR 33 1HG2 THR 33 -5.329 5.043 -5.002 251 HG23 THR 33 2HG2 THR 33 -5.186 3.934 -3.637 252 H VAL 34 HN VAL 34 -2.385 1.599 -3.913 253 HA VAL 34 HA VAL 34 -1.097 0.068 -6.088 254 HB VAL 34 HB VAL 34 -0.213 0.125 -3.205 255 HG11 VAL 34 1HG1 VAL 34 1.742 -1.083 -3.994 256 HG12 VAL 34 2HG1 VAL 34 1.066 -1.102 -5.623 257 HG13 VAL 34 3HG1 VAL 34 0.250 -1.965 -4.320 258 HG21 VAL 34 3HG2 VAL 34 1.055 1.485 -5.578 259 HG22 VAL 34 1HG2 VAL 34 1.753 1.387 -3.962 260 HG23 VAL 34 2HG2 VAL 34 0.259 2.285 -4.224 261 H GLN 35 HN GLN 35 -1.405 -2.175 -6.016 262 HA GLN 35 HA GLN 35 -3.413 -3.093 -4.084 263 HB2 GLN 35 2HB GLN 35 -3.991 -3.416 -6.449 264 HB3 GLN 35 1HB GLN 35 -2.519 -4.349 -6.687 265 HG2 GLN 35 2HG GLN 35 -3.312 -6.094 -5.266 266 HG3 GLN 35 1HG GLN 35 -4.703 -5.131 -4.771 267 HE21 GLN 35 1HE2 GLN 35 -3.287 -7.026 -7.307 268 HE22 GLN 35 2HE2 GLN 35 -4.716 -7.184 -8.262 269 H VAL 36 HN VAL 36 -2.795 -4.310 -2.456 270 HA VAL 36 HA VAL 36 -0.194 -5.701 -2.643 271 HB VAL 36 HB VAL 36 -1.493 -4.725 -0.096 272 HG11 VAL 36 1HG1 VAL 36 1.305 -5.687 -0.691 273 HG12 VAL 36 2HG1 VAL 36 0.062 -6.581 0.183 274 HG13 VAL 36 3HG1 VAL 36 0.730 -5.100 0.868 275 HG21 VAL 36 3HG2 VAL 36 0.686 -3.405 -1.713 276 HG22 VAL 36 1HG2 VAL 36 0.160 -2.905 -0.107 277 HG23 VAL 36 2HG2 VAL 36 -0.952 -2.795 -1.472 278 H ASP 37 HN ASP 37 -0.201 -7.824 -2.371 279 HA ASP 37 HA ASP 37 -2.459 -9.121 -1.005 280 HB2 ASP 37 2HB ASP 37 -2.954 -9.302 -3.374 281 HB3 ASP 37 1HB ASP 37 -1.330 -9.892 -3.703 282 H LEU 38 HN LEU 38 -1.922 -11.063 0.057 283 HA LEU 38 HA LEU 38 0.975 -11.584 0.241 284 HB2 LEU 38 2HB LEU 38 -1.000 -11.546 2.523 285 HB3 LEU 38 1HB LEU 38 0.709 -11.913 2.646 286 HG LEU 38 HG LEU 38 -0.436 -9.238 1.829 287 HD11 LEU 38 1HD1 LEU 38 -0.876 -9.766 4.177 288 HD12 LEU 38 2HD1 LEU 38 0.315 -8.475 4.018 289 HD13 LEU 38 3HD1 LEU 38 0.835 -10.111 4.423 290 HD21 LEU 38 3HD2 LEU 38 1.743 -9.670 0.838 291 HD22 LEU 38 1HD2 LEU 38 2.392 -10.098 2.421 292 HD23 LEU 38 2HD2 LEU 38 1.865 -8.445 2.104 293 H GLU 39 HN GLU 39 1.612 -13.674 0.427 294 HA GLU 39 HA GLU 39 -0.471 -15.733 0.757 295 HB2 GLU 39 2HB GLU 39 1.798 -15.611 -1.191 296 HB3 GLU 39 1HB GLU 39 1.250 -17.173 -0.603 297 HG2 GLU 39 2HG GLU 39 -0.948 -16.789 -1.458 298 HG3 GLU 39 1HG GLU 39 -0.529 -15.138 -1.897 299 H GLY 40 HN GLY 40 -0.043 -17.345 2.171 300 HA2 GLY 40 2HA GLY 40 2.496 -18.115 3.087 301 HA3 GLY 40 1HA GLY 40 1.889 -16.879 4.176 302 HA PRO 41 HA PRO 41 0.348 -21.114 5.507 303 HB2 PRO 41 2HB PRO 41 1.443 -20.283 8.106 304 HB3 PRO 41 1HB PRO 41 1.696 -21.785 7.213 305 HG2 PRO 41 2HG PRO 41 3.637 -19.941 7.466 306 HG3 PRO 41 1HG PRO 41 3.456 -20.917 5.993 307 HD2 PRO 41 2HD PRO 41 2.621 -18.085 6.512 308 HD3 PRO 41 1HD PRO 41 3.375 -18.792 5.067 309 H ARG 42 HN ARG 42 -1.406 -21.534 6.893 310 HA ARG 42 HA ARG 42 -3.290 -19.481 7.104 311 HB2 ARG 42 2HB ARG 42 -3.193 -22.152 8.512 312 HB3 ARG 42 1HB ARG 42 -4.598 -21.099 8.474 313 HG2 ARG 42 2HG ARG 42 -3.285 -22.312 6.054 314 HG3 ARG 42 1HG ARG 42 -4.736 -22.929 6.847 315 HD2 ARG 42 2HD ARG 42 -5.929 -20.891 6.340 316 HD3 ARG 42 1HD ARG 42 -4.470 -20.168 5.662 317 HE ARG 42 HE ARG 42 -5.055 -22.586 4.319 318 HH11 ARG 42 1HH1 ARG 42 -6.284 -19.323 4.634 319 HH12 ARG 42 2HH1 ARG 42 -6.879 -19.246 3.004 320 HH21 ARG 42 1HH2 ARG 42 -5.812 -22.507 2.180 321 HH22 ARG 42 2HH2 ARG 42 -6.591 -21.065 1.588 322 H GLY 43 HN GLY 43 -1.074 -20.838 9.497 323 HA2 GLY 43 2HA GLY 43 -2.126 -19.692 11.806 324 HA3 GLY 43 1HA GLY 43 -0.434 -20.098 11.574 325 H VAL 44 HN VAL 44 0.358 -18.330 9.638 326 HA VAL 44 HA VAL 44 0.732 -15.994 11.202 327 HB VAL 44 HB VAL 44 1.361 -16.393 8.268 328 HG11 VAL 44 1HG1 VAL 44 2.387 -14.352 10.235 329 HG12 VAL 44 2HG1 VAL 44 1.303 -14.037 8.881 330 HG13 VAL 44 3HG1 VAL 44 2.961 -14.561 8.582 331 HG21 VAL 44 3HG2 VAL 44 3.676 -16.795 9.093 332 HG22 VAL 44 1HG2 VAL 44 2.523 -18.045 9.565 333 HG23 VAL 44 2HG2 VAL 44 3.035 -16.830 10.736 334 H LEU 45 HN LEU 45 -1.174 -16.642 8.276 335 HA LEU 45 HA LEU 45 -1.976 -13.992 7.810 336 HB2 LEU 45 2HB LEU 45 -3.311 -16.585 7.049 337 HB3 LEU 45 1HB LEU 45 -3.784 -15.009 6.442 338 HG LEU 45 HG LEU 45 -1.089 -16.305 6.001 339 HD11 LEU 45 1HD1 LEU 45 -3.414 -15.888 4.122 340 HD12 LEU 45 2HD1 LEU 45 -2.866 -17.433 4.773 341 HD13 LEU 45 3HD1 LEU 45 -1.828 -16.522 3.678 342 HD21 LEU 45 3HD2 LEU 45 -0.954 -13.867 6.074 343 HD22 LEU 45 1HD2 LEU 45 -2.261 -13.751 4.897 344 HD23 LEU 45 2HD2 LEU 45 -0.716 -14.463 4.430 345 H THR 46 HN THR 46 -3.556 -16.598 9.634 346 HA THR 46 HA THR 46 -5.957 -15.200 10.131 347 HB THR 46 HB THR 46 -4.748 -17.395 11.830 348 HG1 THR 46 1HG THR 46 -4.883 -18.332 9.876 349 HG21 THR 46 3HG2 THR 46 -6.679 -16.254 12.838 350 HG22 THR 46 1HG2 THR 46 -7.081 -17.906 12.371 351 HG23 THR 46 2HG2 THR 46 -7.617 -16.554 11.373 352 H VAL 47 HN VAL 47 -2.977 -15.550 12.055 353 HA VAL 47 HA VAL 47 -3.869 -14.040 14.271 354 HB VAL 47 HB VAL 47 -1.049 -14.521 13.276 355 HG11 VAL 47 1HG1 VAL 47 -1.094 -12.561 14.711 356 HG12 VAL 47 2HG1 VAL 47 -0.346 -13.914 15.560 357 HG13 VAL 47 3HG1 VAL 47 -2.006 -13.451 15.931 358 HG21 VAL 47 3HG2 VAL 47 -2.200 -16.575 13.859 359 HG22 VAL 47 1HG2 VAL 47 -2.687 -15.887 15.410 360 HG23 VAL 47 2HG2 VAL 47 -0.984 -16.203 15.079 361 H PHE 48 HN PHE 48 -2.160 -13.160 11.302 362 HA PHE 48 HA PHE 48 -1.754 -10.442 11.927 363 HB2 PHE 48 2HB PHE 48 -0.591 -11.621 10.088 364 HB3 PHE 48 1HB PHE 48 -2.109 -11.723 9.203 365 HD1 PHE 48 1HD PHE 48 0.347 -9.322 10.601 366 HD2 PHE 48 2HD PHE 48 -2.796 -9.980 7.811 367 HE1 PHE 48 1HE PHE 48 0.812 -7.141 9.566 368 HE2 PHE 48 2HE PHE 48 -2.338 -7.796 6.771 369 HZ PHE 48 HZ PHE 48 -0.532 -6.374 7.653 370 H ARG 49 HN ARG 49 -4.524 -12.203 10.753 371 HA ARG 49 HA ARG 49 -5.995 -9.939 9.877 372 HB2 ARG 49 2HB ARG 49 -6.327 -12.798 9.974 373 HB3 ARG 49 1HB ARG 49 -7.795 -11.994 10.506 374 HG2 ARG 49 2HG ARG 49 -6.347 -11.532 7.911 375 HG3 ARG 49 1HG ARG 49 -7.867 -12.396 8.131 376 HD2 ARG 49 2HD ARG 49 -8.918 -10.349 8.958 377 HD3 ARG 49 1HD ARG 49 -7.397 -9.482 8.756 378 HE ARG 49 HE ARG 49 -8.953 -10.629 6.521 379 HH11 ARG 49 1HH1 ARG 49 -6.864 -8.140 7.873 380 HH12 ARG 49 2HH1 ARG 49 -6.877 -7.186 6.420 381 HH21 ARG 49 1HH2 ARG 49 -8.966 -9.354 4.630 382 HH22 ARG 49 2HH2 ARG 49 -8.063 -7.863 4.591 383 H PHE 50 HN PHE 50 -5.329 -11.204 12.982 384 HA PHE 50 HA PHE 50 -7.684 -10.208 14.268 385 HB2 PHE 50 2HB PHE 50 -5.009 -11.183 15.236 386 HB3 PHE 50 1HB PHE 50 -6.176 -10.475 16.334 387 HD1 PHE 50 1HD PHE 50 -8.657 -11.517 15.956 388 HD2 PHE 50 2HD PHE 50 -4.960 -13.457 15.154 389 HE1 PHE 50 1HE PHE 50 -9.761 -13.705 16.188 390 HE2 PHE 50 2HE PHE 50 -6.055 -15.648 15.379 391 HZ PHE 50 HZ PHE 50 -8.455 -15.775 15.896 392 H ALA 51 HN ALA 51 -4.709 -8.902 13.209 393 HA ALA 51 HA ALA 51 -4.891 -6.558 14.919 394 HB1 ALA 51 1HB ALA 51 -2.694 -7.596 14.591 395 HB2 ALA 51 2HB ALA 51 -2.728 -5.945 13.975 396 HB3 ALA 51 3HB ALA 51 -2.818 -7.306 12.858 397 H ARG 52 HN ARG 52 -5.315 -4.531 14.201 398 HA ARG 52 HA ARG 52 -6.561 -4.249 11.613 399 HB2 ARG 52 2HB ARG 52 -6.252 -2.493 14.020 400 HB3 ARG 52 1HB ARG 52 -6.840 -1.851 12.504 401 HG2 ARG 52 2HG ARG 52 -8.587 -3.688 12.569 402 HG3 ARG 52 1HG ARG 52 -8.094 -3.940 14.243 403 HD2 ARG 52 2HD ARG 52 -9.049 -1.318 13.109 404 HD3 ARG 52 1HD ARG 52 -10.065 -2.457 13.990 405 HE ARG 52 HE ARG 52 -7.844 -1.863 15.590 406 HH11 ARG 52 1HH1 ARG 52 -10.606 -0.224 14.205 407 HH12 ARG 52 2HH1 ARG 52 -10.800 0.870 15.542 408 HH21 ARG 52 1HH2 ARG 52 -8.084 -0.422 17.367 409 HH22 ARG 52 2HH2 ARG 52 -9.363 0.753 17.345 410 HA PRO 53 HA PRO 53 -3.205 -2.632 9.386 411 HB2 PRO 53 2HB PRO 53 -4.623 -0.215 8.569 412 HB3 PRO 53 1HB PRO 53 -4.057 -1.562 7.587 413 HG2 PRO 53 2HG PRO 53 -6.677 -1.146 8.084 414 HG3 PRO 53 1HG PRO 53 -5.993 -2.768 7.877 415 HD2 PRO 53 2HD PRO 53 -6.783 -1.346 10.378 416 HD3 PRO 53 1HD PRO 53 -6.929 -3.066 9.964 417 H SER 54 HN SER 54 -1.489 -1.842 10.340 418 HA SER 54 HA SER 54 -1.464 0.959 11.161 419 HB2 SER 54 2HB SER 54 0.418 0.126 12.676 420 HB3 SER 54 1HB SER 54 -1.218 -0.297 13.140 421 HG SER 54 HG SER 54 0.672 -1.962 12.959 422 H TYR 55 HN TYR 55 -0.720 -1.005 8.839 423 HA TYR 55 HA TYR 55 2.090 -0.455 8.477 424 HB2 TYR 55 2HB TYR 55 1.666 -1.809 6.311 425 HB3 TYR 55 1HB TYR 55 1.598 -2.649 7.855 426 HD1 TYR 55 1HD TYR 55 -0.507 -1.171 5.171 427 HD2 TYR 55 2HD TYR 55 -0.354 -3.763 8.544 428 HE1 TYR 55 1HE TYR 55 -2.759 -2.000 4.631 429 HE2 TYR 55 2HE TYR 55 -2.603 -4.597 8.012 430 HH TYR 55 HH TYR 55 -4.145 -3.989 5.055 431 H GLU 56 HN GLU 56 2.920 0.402 6.491 432 HA GLU 56 HA GLU 56 1.138 2.177 5.011 433 HB2 GLU 56 2HB GLU 56 1.978 3.473 6.945 434 HB3 GLU 56 1HB GLU 56 3.628 3.143 6.436 435 HG2 GLU 56 2HG GLU 56 3.287 4.415 4.406 436 HG3 GLU 56 1HG GLU 56 1.592 4.669 4.822 437 H VAL 57 HN VAL 57 1.818 2.623 2.962 438 HA VAL 57 HA VAL 57 4.359 1.412 2.089 439 HB VAL 57 HB VAL 57 1.851 1.857 0.441 440 HG11 VAL 57 1HG1 VAL 57 4.441 0.484 -0.273 441 HG12 VAL 57 2HG1 VAL 57 3.889 2.041 -0.888 442 HG13 VAL 57 3HG1 VAL 57 3.004 0.570 -1.292 443 HG21 VAL 57 3HG2 VAL 57 1.549 0.060 2.058 444 HG22 VAL 57 1HG2 VAL 57 3.034 -0.708 1.499 445 HG23 VAL 57 2HG2 VAL 57 1.647 -0.580 0.419 446 H PHE 58 HN PHE 58 5.842 2.833 1.251 447 HA PHE 58 HA PHE 58 4.960 5.437 0.336 448 HB2 PHE 58 2HB PHE 58 6.353 6.652 1.997 449 HB3 PHE 58 1HB PHE 58 4.986 5.814 2.719 450 HD1 PHE 58 2HD PHE 58 5.348 3.778 4.059 451 HD2 PHE 58 1HD PHE 58 8.604 6.065 2.535 452 HE1 PHE 58 2HE PHE 58 6.864 2.671 5.644 453 HE2 PHE 58 1HE PHE 58 10.123 4.957 4.123 454 HZ PHE 58 HZ PHE 58 9.253 3.257 5.682 455 H VAL 59 HN VAL 59 6.697 6.767 -0.484 456 HA VAL 59 HA VAL 59 9.180 5.284 -1.059 457 HB VAL 59 HB VAL 59 9.317 6.537 -3.219 458 HG11 VAL 59 1HG1 VAL 59 8.537 4.220 -3.128 459 HG12 VAL 59 2HG1 VAL 59 7.741 5.121 -4.416 460 HG13 VAL 59 3HG1 VAL 59 6.880 4.787 -2.913 461 HG21 VAL 59 3HG2 VAL 59 7.274 7.545 -4.129 462 HG22 VAL 59 1HG2 VAL 59 7.822 8.383 -2.676 463 HG23 VAL 59 2HG2 VAL 59 6.458 7.267 -2.589 464 H ASP 60 HN ASP 60 11.087 6.427 -0.846 465 HA ASP 60 HA ASP 60 10.827 8.941 0.631 466 HB2 ASP 60 2HB ASP 60 12.138 7.069 1.618 467 HB3 ASP 60 1HB ASP 60 13.262 7.179 0.269 468 H LEU 61 HN LEU 61 10.923 10.732 -0.559 469 HA LEU 61 HA LEU 61 12.929 10.859 -2.704 470 HB2 LEU 61 2HB LEU 61 10.075 11.826 -2.872 471 HB3 LEU 61 1HB LEU 61 11.313 12.147 -4.070 472 HG LEU 61 HG LEU 61 10.356 9.383 -3.325 473 HD11 LEU 61 1HD1 LEU 61 9.169 9.411 -5.451 474 HD12 LEU 61 2HD1 LEU 61 9.653 11.090 -5.707 475 HD13 LEU 61 3HD1 LEU 61 8.574 10.675 -4.373 476 HD21 LEU 61 3HD2 LEU 61 12.086 10.369 -5.591 477 HD22 LEU 61 1HD2 LEU 61 11.530 8.709 -5.362 478 HD23 LEU 61 2HD2 LEU 61 12.633 9.439 -4.194 479 H THR 62 HN THR 62 14.049 11.905 -0.839 480 HA THR 62 HA THR 62 13.334 14.746 -0.630 481 HB THR 62 HB THR 62 15.222 14.730 1.118 482 HG1 THR 62 1HG THR 62 16.200 12.891 1.432 483 HG21 THR 62 3HG2 THR 62 12.853 14.845 1.719 484 HG22 THR 62 1HG2 THR 62 13.750 13.847 2.865 485 HG23 THR 62 2HG2 THR 62 12.743 13.087 1.634 486 H GLU 63 HN GLU 63 15.760 12.493 -1.729 487 HA GLU 63 HA GLU 63 17.643 14.426 -2.633 488 HB2 GLU 63 2HB GLU 63 17.157 11.522 -3.228 489 HB3 GLU 63 1HB GLU 63 18.435 12.436 -4.022 490 HG2 GLU 63 2HG GLU 63 18.206 12.343 -1.044 491 HG3 GLU 63 1HG GLU 63 19.025 11.078 -1.952 492 H ALA 64 HN ALA 64 14.991 12.675 -4.080 493 HA ALA 64 HA ALA 64 15.459 13.664 -6.728 494 HB1 ALA 64 1HB ALA 64 14.416 11.491 -6.377 495 HB2 ALA 64 2HB ALA 64 13.341 12.560 -7.279 496 HB3 ALA 64 3HB ALA 64 13.053 12.263 -5.563 497 H GLY 65 HN GLY 65 14.672 15.445 -7.665 498 HA2 GLY 65 2HA GLY 65 12.534 16.910 -6.252 499 HA3 GLY 65 1HA GLY 65 13.929 17.731 -6.936 500 H GLU 66 HN GLU 66 13.841 18.402 -8.972 501 HA GLU 66 HA GLU 66 11.355 18.307 -10.349 502 HB2 GLU 66 2HB GLU 66 12.564 19.570 -12.125 503 HB3 GLU 66 1HB GLU 66 12.664 20.300 -10.536 504 HG2 GLU 66 2HG GLU 66 14.838 18.558 -11.659 505 HG3 GLU 66 1HG GLU 66 14.772 20.296 -11.934 506 H GLY 67 HN GLY 67 10.904 17.456 -12.386 507 HA2 GLY 67 2HA GLY 67 11.015 15.843 -14.048 508 HA3 GLY 67 1HA GLY 67 12.640 15.440 -13.518 509 H SER 68 HN SER 68 9.954 13.943 -14.007 510 HA SER 68 HA SER 68 9.247 12.907 -11.459 511 HB2 SER 68 2HB SER 68 7.774 12.929 -13.494 512 HB3 SER 68 1HB SER 68 8.718 11.584 -14.123 513 HG SER 68 HG SER 68 6.643 11.360 -12.651 514 H HIS 69 HN HIS 69 9.908 11.149 -10.415 515 HA HIS 69 HA HIS 69 12.314 9.839 -11.515 516 HB2 HIS 69 2HB HIS 69 11.862 11.031 -8.808 517 HB3 HIS 69 1HB HIS 69 12.977 9.682 -8.992 518 HD1 HIS 69 1HD HIS 69 12.569 13.311 -9.832 519 HD2 HIS 69 2HD HIS 69 15.357 10.268 -10.369 520 HE1 HIS 69 1HE HIS 69 14.695 14.453 -10.528 521 HE2 HIS 69 2HE HIS 69 16.394 12.610 -10.767 522 H THR 70 HN THR 70 12.343 7.740 -11.551 523 HA THR 70 HA THR 70 10.174 6.275 -10.242 524 HB THR 70 HB THR 70 12.120 5.071 -12.192 525 HG1 THR 70 1HG THR 70 11.374 6.957 -13.222 526 HG21 THR 70 3HG2 THR 70 10.496 3.621 -11.046 527 HG22 THR 70 1HG2 THR 70 10.188 3.692 -12.779 528 HG23 THR 70 2HG2 THR 70 9.179 4.614 -11.665 529 H VAL 71 HN VAL 71 10.631 5.384 -8.335 530 HA VAL 71 HA VAL 71 13.328 4.278 -7.871 531 HB VAL 71 HB VAL 71 13.159 4.945 -5.499 532 HG11 VAL 71 1HG1 VAL 71 13.630 7.330 -5.817 533 HG12 VAL 71 2HG1 VAL 71 12.967 7.237 -7.449 534 HG13 VAL 71 3HG1 VAL 71 14.425 6.333 -7.037 535 HG21 VAL 71 3HG2 VAL 71 10.741 6.521 -6.383 536 HG22 VAL 71 1HG2 VAL 71 11.506 6.610 -4.797 537 HG23 VAL 71 2HG2 VAL 71 10.727 5.115 -5.319 538 H ASP 72 HN ASP 72 13.271 2.698 -5.927 539 HA ASP 72 HA ASP 72 11.076 0.881 -6.422 540 HB2 ASP 72 2HB ASP 72 12.271 -0.716 -5.078 541 HB3 ASP 72 1HB ASP 72 13.417 0.063 -6.162 542 H VAL 73 HN VAL 73 9.754 -0.024 -4.718 543 HA VAL 73 HA VAL 73 8.755 2.214 -3.146 544 HB VAL 73 HB VAL 73 7.487 -0.477 -3.659 545 HG11 VAL 73 1HG1 VAL 73 5.416 0.602 -2.942 546 HG12 VAL 73 2HG1 VAL 73 6.303 2.086 -2.592 547 HG13 VAL 73 3HG1 VAL 73 6.622 0.627 -1.654 548 HG21 VAL 73 3HG2 VAL 73 7.121 2.181 -5.031 549 HG22 VAL 73 1HG2 VAL 73 6.103 0.763 -5.288 550 HG23 VAL 73 2HG2 VAL 73 7.810 0.713 -5.729 551 H GLU 74 HN GLU 74 8.799 2.371 -1.019 552 HA GLU 74 HA GLU 74 9.962 0.180 0.532 553 HB2 GLU 74 2HB GLU 74 10.427 2.914 0.523 554 HB3 GLU 74 1HB GLU 74 9.428 2.679 1.947 555 HG2 GLU 74 2HG GLU 74 11.985 1.201 1.363 556 HG3 GLU 74 1HG GLU 74 11.834 2.593 2.432 557 H HIS 75 HN HIS 75 8.965 -0.452 2.551 558 HA HIS 75 HA HIS 75 6.222 0.357 3.029 559 HB2 HIS 75 2HB HIS 75 5.347 -1.994 2.866 560 HB3 HIS 75 1HB HIS 75 5.781 -1.276 1.319 561 HD1 HIS 75 1HD HIS 75 6.933 -3.908 3.767 562 HD2 HIS 75 2HD HIS 75 7.808 -2.536 -0.055 563 HE1 HIS 75 1HE HIS 75 8.490 -5.616 2.777 564 HE2 HIS 75 2HE HIS 75 9.172 -4.637 0.553 565 H ARG 76 HN ARG 76 5.437 -0.313 5.056 566 HA ARG 76 HA ARG 76 7.124 -1.966 6.729 567 HB2 ARG 76 2HB ARG 76 7.958 0.511 6.684 568 HB3 ARG 76 1HB ARG 76 6.570 0.809 7.721 569 HG2 ARG 76 2HG ARG 76 7.441 -0.393 9.468 570 HG3 ARG 76 1HG ARG 76 8.463 -1.381 8.419 571 HD2 ARG 76 2HD ARG 76 8.862 1.527 9.109 572 HD3 ARG 76 1HD ARG 76 9.835 0.166 9.672 573 HE ARG 76 HE ARG 76 9.677 0.961 6.830 574 HH11 ARG 76 1HH1 ARG 76 11.504 -0.124 9.621 575 HH12 ARG 76 2HH1 ARG 76 13.013 -0.192 8.748 576 HH21 ARG 76 1HH2 ARG 76 11.629 0.841 5.689 577 HH22 ARG 76 2HH2 ARG 76 13.084 0.351 6.518 578 H GLY 77 HN GLY 77 6.121 -2.227 8.928 579 HA2 GLY 77 2HA GLY 77 4.147 -2.074 10.296 580 HA3 GLY 77 1HA GLY 77 3.209 -1.801 8.830 581 H PHE 78 HN PHE 78 3.513 -3.694 7.178 582 HA PHE 78 HA PHE 78 2.894 -6.144 8.618 583 HB2 PHE 78 2HB PHE 78 2.248 -7.029 6.393 584 HB3 PHE 78 1HB PHE 78 1.398 -5.544 6.797 585 HD1 PHE 78 2HD PHE 78 1.992 -3.433 5.669 586 HD2 PHE 78 1HD PHE 78 3.701 -7.159 4.514 587 HE1 PHE 78 2HE PHE 78 2.693 -2.445 3.531 588 HE2 PHE 78 1HE PHE 78 4.403 -6.174 2.372 589 HZ PHE 78 HZ PHE 78 3.899 -3.814 1.877 590 HA PRO 79 HA PRO 79 6.925 -7.813 8.056 591 HB2 PRO 79 2HB PRO 79 5.871 -10.503 8.308 592 HB3 PRO 79 1HB PRO 79 6.775 -9.558 9.491 593 HG2 PRO 79 2HG PRO 79 4.147 -10.208 9.796 594 HG3 PRO 79 1HG PRO 79 4.886 -8.759 10.498 595 HD2 PRO 79 2HD PRO 79 3.222 -9.026 8.020 596 HD3 PRO 79 1HD PRO 79 3.187 -7.765 9.274 597 H GLY 80 HN GLY 80 8.106 -8.279 6.327 598 HA2 GLY 80 2HA GLY 80 6.809 -9.326 3.937 599 HA3 GLY 80 1HA GLY 80 8.450 -8.701 4.052 600 H ASP 81 HN ASP 81 7.274 -11.049 6.312 601 HA ASP 81 HA ASP 81 9.341 -12.907 5.604 602 HB2 ASP 81 2HB ASP 81 8.528 -12.534 7.948 603 HB3 ASP 81 1HB ASP 81 7.022 -13.312 7.491 604 H LEU 82 HN LEU 82 5.997 -12.479 4.931 605 HA LEU 82 HA LEU 82 5.632 -15.150 3.858 606 HB2 LEU 82 2HB LEU 82 3.782 -12.763 3.822 607 HB3 LEU 82 1HB LEU 82 3.347 -14.409 3.414 608 HG LEU 82 HG LEU 82 4.184 -13.449 6.150 609 HD11 LEU 82 1HD1 LEU 82 1.481 -14.234 5.073 610 HD12 LEU 82 2HD1 LEU 82 1.998 -12.604 5.504 611 HD13 LEU 82 3HD1 LEU 82 1.848 -13.839 6.753 612 HD21 LEU 82 3HD2 LEU 82 4.821 -15.773 5.714 613 HD22 LEU 82 1HD2 LEU 82 3.158 -16.138 5.255 614 HD23 LEU 82 2HD2 LEU 82 3.531 -15.660 6.912 615 H ALA 83 HN ALA 83 4.278 -14.975 1.629 616 HA ALA 83 HA ALA 83 6.080 -13.759 -0.278 617 HB1 ALA 83 1HB ALA 83 3.481 -15.239 -0.696 618 HB2 ALA 83 2HB ALA 83 5.098 -15.938 -0.772 619 HB3 ALA 83 3HB ALA 83 4.595 -14.744 -1.969 620 H VAL 84 HN VAL 84 5.961 -11.620 -0.372 621 HA VAL 84 HA VAL 84 3.382 -10.288 -0.052 622 HB VAL 84 HB VAL 84 6.172 -9.112 -0.123 623 HG11 VAL 84 1HG1 VAL 84 4.454 -7.513 -0.817 624 HG12 VAL 84 2HG1 VAL 84 5.135 -7.081 0.751 625 HG13 VAL 84 3HG1 VAL 84 3.547 -7.843 0.659 626 HG21 VAL 84 3HG2 VAL 84 4.368 -9.633 2.237 627 HG22 VAL 84 1HG2 VAL 84 5.960 -8.875 2.281 628 HG23 VAL 84 2HG2 VAL 84 5.804 -10.568 1.816 629 H THR 85 HN THR 85 2.324 -9.456 -1.737 630 HA THR 85 HA THR 85 3.870 -8.839 -4.159 631 HB THR 85 HB THR 85 0.966 -9.589 -4.126 632 HG1 THR 85 1HG THR 85 1.763 -11.554 -3.817 633 HG21 THR 85 3HG2 THR 85 1.645 -8.218 -6.014 634 HG22 THR 85 1HG2 THR 85 1.295 -9.864 -6.544 635 HG23 THR 85 2HG2 THR 85 2.966 -9.334 -6.360 636 H VAL 86 HN VAL 86 3.909 -6.867 -4.635 637 HA VAL 86 HA VAL 86 1.699 -5.028 -3.951 638 HB VAL 86 HB VAL 86 4.144 -3.620 -4.520 639 HG11 VAL 86 1HG1 VAL 86 2.261 -2.702 -3.268 640 HG12 VAL 86 2HG1 VAL 86 3.745 -2.602 -2.317 641 HG13 VAL 86 3HG1 VAL 86 2.549 -3.847 -1.957 642 HG21 VAL 86 3HG2 VAL 86 5.478 -4.275 -2.521 643 HG22 VAL 86 1HG2 VAL 86 5.416 -5.501 -3.788 644 HG23 VAL 86 2HG2 VAL 86 4.430 -5.682 -2.334 645 H GLU 87 HN GLU 87 1.174 -3.551 -5.869 646 HA GLU 87 HA GLU 87 3.512 -3.576 -7.605 647 HB2 GLU 87 2HB GLU 87 1.961 -5.214 -8.590 648 HB3 GLU 87 1HB GLU 87 0.781 -3.926 -8.814 649 HG2 GLU 87 2HG GLU 87 2.321 -2.751 -10.285 650 HG3 GLU 87 1HG GLU 87 3.533 -4.003 -10.039 651 HA PRO 88 HA PRO 88 3.872 -0.654 -9.417 652 HB2 PRO 88 2HB PRO 88 5.331 1.173 -7.967 653 HB3 PRO 88 1HB PRO 88 3.684 1.458 -8.512 654 HG2 PRO 88 2HG PRO 88 4.588 1.203 -5.814 655 HG3 PRO 88 1HG PRO 88 2.909 1.356 -6.366 656 HD2 PRO 88 2HD PRO 88 4.474 -1.114 -5.707 657 HD3 PRO 88 1HD PRO 88 2.737 -0.780 -5.487 658 H ARG 89 HN ARG 89 5.772 -1.656 -10.114 659 HA ARG 89 HA ARG 89 7.182 -3.100 -7.988 660 HB2 ARG 89 2HB ARG 89 7.417 -3.287 -11.009 661 HB3 ARG 89 1HB ARG 89 8.426 -4.207 -9.896 662 HG2 ARG 89 2HG ARG 89 6.033 -4.821 -8.899 663 HG3 ARG 89 1HG ARG 89 5.567 -4.523 -10.571 664 HD2 ARG 89 2HD ARG 89 7.796 -6.372 -9.748 665 HD3 ARG 89 1HD ARG 89 6.144 -6.899 -10.049 666 HE ARG 89 HE ARG 89 6.512 -5.933 -12.357 667 HH11 ARG 89 1HH1 ARG 89 9.144 -7.144 -10.411 668 HH12 ARG 89 2HH1 ARG 89 10.097 -7.665 -11.769 669 HH21 ARG 89 1HH2 ARG 89 7.749 -6.636 -14.164 670 HH22 ARG 89 2HH2 ARG 89 9.280 -7.405 -13.899 671 H MET 90 HN MET 90 7.573 -0.576 -10.261 672 HA MET 90 HA MET 90 9.548 0.577 -8.460 673 HB2 MET 90 2HB MET 90 10.522 -0.389 -10.741 674 HB3 MET 90 1HB MET 90 9.841 1.090 -11.402 675 HG2 MET 90 2HG MET 90 11.203 2.425 -9.927 676 HG3 MET 90 1HG MET 90 11.813 0.977 -9.131 677 HE1 MET 90 3HE MET 90 13.741 3.216 -10.248 678 HE2 MET 90 1HE MET 90 14.973 2.233 -11.044 679 HE3 MET 90 2HE MET 90 14.309 1.727 -9.491 680 H ALA 91 HN ALA 91 9.081 2.795 -8.136 681 HA ALA 91 HA ALA 91 6.478 3.538 -9.315 682 HB1 ALA 91 1HB ALA 91 7.449 4.021 -6.503 683 HB2 ALA 91 2HB ALA 91 6.239 2.838 -7.001 684 HB3 ALA 91 3HB ALA 91 5.908 4.562 -7.165 685 H ARG 92 HN ARG 92 6.273 5.454 -10.174 686 HA ARG 92 HA ARG 92 8.578 7.266 -10.042 687 HB2 ARG 92 2HB ARG 92 7.928 6.233 -12.243 688 HB3 ARG 92 1HB ARG 92 6.432 7.148 -12.155 689 HG2 ARG 92 2HG ARG 92 7.750 9.230 -12.090 690 HG3 ARG 92 1HG ARG 92 9.218 8.270 -12.291 691 HD2 ARG 92 2HD ARG 92 6.909 8.457 -14.218 692 HD3 ARG 92 1HD ARG 92 8.514 9.156 -14.426 693 HE ARG 92 HE ARG 92 9.360 6.830 -14.467 694 HH11 ARG 92 1HH1 ARG 92 5.973 7.432 -15.138 695 HH12 ARG 92 2HH1 ARG 92 5.782 6.004 -16.110 696 HH21 ARG 92 1HH2 ARG 92 9.131 4.965 -15.757 697 HH22 ARG 92 2HH2 ARG 92 7.587 4.603 -16.482 698 H VAL 93 HN VAL 93 8.345 9.238 -9.273 699 HA VAL 93 HA VAL 93 5.645 10.370 -8.981 700 HB VAL 93 HB VAL 93 7.801 10.467 -6.855 701 HG11 VAL 93 1HG1 VAL 93 6.518 12.541 -6.950 702 HG12 VAL 93 2HG1 VAL 93 6.149 11.631 -5.484 703 HG13 VAL 93 3HG1 VAL 93 5.016 11.623 -6.836 704 HG21 VAL 93 3HG2 VAL 93 5.129 9.065 -6.860 705 HG22 VAL 93 1HG2 VAL 93 6.221 9.183 -5.479 706 HG23 VAL 93 2HG2 VAL 93 6.713 8.292 -6.920 707 H GLN 94 HN GLN 94 5.474 12.451 -9.553 708 HA GLN 94 HA GLN 94 7.915 13.806 -10.451 709 HB2 GLN 94 2HB GLN 94 6.366 13.625 -12.222 710 HB3 GLN 94 1HB GLN 94 5.014 14.077 -11.199 711 HG2 GLN 94 2HG GLN 94 5.557 15.847 -12.754 712 HG3 GLN 94 1HG GLN 94 5.846 16.369 -11.102 713 HE21 GLN 94 1HE2 GLN 94 6.899 17.394 -13.601 714 HE22 GLN 94 2HE2 GLN 94 8.614 17.309 -13.450 715 H LEU 95 HN LEU 95 8.727 15.347 -9.252 716 HA LEU 95 HA LEU 95 6.935 16.919 -7.529 717 HB2 LEU 95 2HB LEU 95 9.920 16.497 -7.274 718 HB3 LEU 95 1HB LEU 95 8.932 17.463 -6.197 719 HG LEU 95 HG LEU 95 8.719 14.472 -6.555 720 HD11 LEU 95 1HD1 LEU 95 10.756 15.151 -5.391 721 HD12 LEU 95 2HD1 LEU 95 9.627 14.349 -4.301 722 HD13 LEU 95 3HD1 LEU 95 9.797 16.105 -4.261 723 HD21 LEU 95 3HD2 LEU 95 7.194 14.579 -4.643 724 HD22 LEU 95 1HD2 LEU 95 6.569 15.479 -6.026 725 HD23 LEU 95 2HD2 LEU 95 7.291 16.340 -4.667 726 H GLU 96 HN GLU 96 6.656 18.991 -8.083 727 HA GLU 96 HA GLU 96 8.546 20.171 -10.000 728 HB2 GLU 96 2HB GLU 96 6.535 19.282 -11.163 729 HB3 GLU 96 1HB GLU 96 5.539 20.359 -10.198 730 HG2 GLU 96 2HG GLU 96 5.940 21.235 -12.439 731 HG3 GLU 96 1HG GLU 96 6.601 22.290 -11.190 732 H GLU 97 HN GLU 97 8.796 22.368 -9.935 733 HA GLU 97 HA GLU 97 8.623 23.611 -7.429 734 HB2 GLU 97 2HB GLU 97 10.162 24.119 -9.434 735 HB3 GLU 97 1HB GLU 97 8.832 25.084 -10.052 736 HG2 GLU 97 2HG GLU 97 10.036 25.541 -7.339 737 HG3 GLU 97 1HG GLU 97 10.649 26.309 -8.801 738 H ARG 98 HN ARG 98 6.806 24.090 -6.455 739 HA ARG 98 HA ARG 98 4.843 25.036 -5.904 740 HB2 ARG 98 2HB ARG 98 5.747 27.014 -7.016 741 HB3 ARG 98 1HB ARG 98 5.142 26.427 -8.551 742 HG2 ARG 98 2HG ARG 98 2.848 26.636 -7.728 743 HG3 ARG 98 1HG ARG 98 3.465 27.215 -6.179 744 HD2 ARG 98 2HD ARG 98 2.781 29.101 -7.489 745 HD3 ARG 98 1HD ARG 98 4.539 29.100 -7.368 746 HE ARG 98 HE ARG 98 3.014 28.272 -9.755 747 HH11 ARG 98 1HH1 ARG 98 5.923 29.469 -8.224 748 HH12 ARG 98 2HH1 ARG 98 6.705 29.863 -9.726 749 HH21 ARG 98 1HH2 ARG 98 4.038 28.799 -11.739 750 HH22 ARG 98 2HH2 ARG 98 5.631 29.498 -11.719 751 H GLN 99 HN GLN 99 2.496 25.108 -6.529 752 HA GLN 99 HA GLN 99 1.624 22.622 -7.311 753 HB2 GLN 99 2HB GLN 99 0.226 25.287 -7.169 754 HB3 GLN 99 1HB GLN 99 -0.599 23.766 -7.405 755 HG2 GLN 99 2HG GLN 99 1.073 24.499 -5.027 756 HG3 GLN 99 1HG GLN 99 -0.689 24.452 -5.083 757 HE21 GLN 99 1HE2 GLN 99 1.232 22.958 -3.429 758 HE22 GLN 99 2HE2 GLN 99 0.903 21.279 -3.714 759 H THR 100 HN THR 100 1.143 21.700 -9.174 760 HA THR 100 HA THR 100 0.943 23.359 -11.597 761 HB THR 100 HB THR 100 2.212 20.616 -11.369 762 HG1 THR 100 1HG THR 100 3.503 22.344 -10.498 763 HG21 THR 100 3HG2 THR 100 2.034 22.499 -13.727 764 HG22 THR 100 1HG2 THR 100 1.127 20.997 -13.537 765 HG23 THR 100 2HG2 THR 100 2.883 20.953 -13.694 766 H VAL 101 HN VAL 101 -0.681 22.758 -13.041 767 HA VAL 101 HA VAL 101 -2.883 21.403 -11.845 768 HB VAL 101 HB VAL 101 -2.649 22.283 -14.724 769 HG11 VAL 101 1HG1 VAL 101 -5.038 21.740 -12.966 770 HG12 VAL 101 2HG1 VAL 101 -4.502 20.779 -14.344 771 HG13 VAL 101 3HG1 VAL 101 -5.108 22.415 -14.593 772 HG21 VAL 101 3HG2 VAL 101 -2.175 24.160 -13.252 773 HG22 VAL 101 1HG2 VAL 101 -3.648 23.832 -12.335 774 HG23 VAL 101 2HG2 VAL 101 -3.753 24.348 -14.018 775 H SER 102 HN SER 102 -2.194 19.321 -11.482 776 HA SER 102 HA SER 102 -2.780 17.560 -13.715 777 HB2 SER 102 2HB SER 102 -0.259 17.249 -12.060 778 HB3 SER 102 1HB SER 102 -0.834 16.112 -13.279 779 HG SER 102 HG SER 102 -0.732 18.545 -14.368 780 H VAL 103 HN VAL 103 -3.891 18.532 -11.126 781 HA VAL 103 HA VAL 103 -3.794 16.349 -9.275 782 HB VAL 103 HB VAL 103 -5.744 18.662 -9.362 783 HG11 VAL 103 1HG1 VAL 103 -6.505 16.841 -7.956 784 HG12 VAL 103 2HG1 VAL 103 -6.011 18.211 -6.962 785 HG13 VAL 103 3HG1 VAL 103 -4.953 16.808 -7.119 786 HG21 VAL 103 3HG2 VAL 103 -3.084 18.413 -7.966 787 HG22 VAL 103 1HG2 VAL 103 -4.252 19.709 -7.697 788 HG23 VAL 103 2HG2 VAL 103 -3.496 19.520 -9.279 789 HA PRO 104 HA PRO 104 -6.989 14.187 -11.547 790 HB2 PRO 104 2HB PRO 104 -6.631 11.792 -10.428 791 HB3 PRO 104 1HB PRO 104 -5.441 12.461 -11.552 792 HG2 PRO 104 2HG PRO 104 -5.360 12.315 -8.570 793 HG3 PRO 104 1HG PRO 104 -4.050 12.085 -9.742 794 HD2 PRO 104 2HD PRO 104 -4.537 14.422 -8.318 795 HD3 PRO 104 1HD PRO 104 -3.577 14.309 -9.805 796 H VAL 105 HN VAL 105 -9.108 13.773 -11.133 797 HA VAL 105 HA VAL 105 -10.113 14.215 -8.475 798 HB VAL 105 HB VAL 105 -12.353 13.706 -9.467 799 HG11 VAL 105 1HG1 VAL 105 -12.435 15.717 -10.879 800 HG12 VAL 105 2HG1 VAL 105 -10.672 15.747 -10.913 801 HG13 VAL 105 3HG1 VAL 105 -11.529 15.979 -9.390 802 HG21 VAL 105 3HG2 VAL 105 -10.810 13.462 -12.050 803 HG22 VAL 105 1HG2 VAL 105 -12.566 13.491 -11.892 804 HG23 VAL 105 2HG2 VAL 105 -11.643 12.150 -11.220 805 H THR 106 HN THR 106 -10.257 12.724 -6.950 806 HA THR 106 HA THR 106 -9.366 10.092 -7.433 807 HB THR 106 HB THR 106 -8.914 11.066 -5.302 808 HG1 THR 106 1HG THR 106 -9.073 9.144 -4.473 809 HG21 THR 106 3HG2 THR 106 -11.893 11.156 -4.836 810 HG22 THR 106 1HG2 THR 106 -10.843 12.549 -5.100 811 HG23 THR 106 2HG2 THR 106 -10.651 11.560 -3.652 812 H VAL 107 HN VAL 107 -10.439 8.627 -8.466 813 HA VAL 107 HA VAL 107 -13.158 7.971 -7.633 814 HB VAL 107 HB VAL 107 -13.833 7.545 -9.998 815 HG11 VAL 107 1HG1 VAL 107 -13.101 10.408 -9.404 816 HG12 VAL 107 2HG1 VAL 107 -14.563 9.580 -8.866 817 HG13 VAL 107 3HG1 VAL 107 -14.295 9.869 -10.586 818 HG21 VAL 107 3HG2 VAL 107 -11.350 9.110 -10.697 819 HG22 VAL 107 1HG2 VAL 107 -12.587 8.553 -11.824 820 HG23 VAL 107 2HG2 VAL 107 -11.581 7.383 -10.968 821 H GLU 108 HN GLU 108 -13.727 5.763 -8.087 822 HA GLU 108 HA GLU 108 -11.427 4.023 -8.021 823 HB2 GLU 108 2HB GLU 108 -13.128 2.224 -7.670 824 HB3 GLU 108 1HB GLU 108 -13.180 3.510 -6.474 825 HG2 GLU 108 2HG GLU 108 -15.057 4.522 -7.815 826 HG3 GLU 108 1HG GLU 108 -15.079 3.027 -8.749 827 H MET 109 HN MET 109 -11.020 2.329 -9.500 828 HA MET 109 HA MET 109 -11.588 3.132 -12.204 829 HB2 MET 109 2HB MET 109 -9.354 2.205 -11.220 830 HB3 MET 109 1HB MET 109 -10.091 0.631 -11.476 831 HG2 MET 109 2HG MET 109 -9.767 2.686 -13.645 832 HG3 MET 109 1HG MET 109 -8.577 1.437 -13.302 833 HE1 MET 109 3HE MET 109 -8.936 -1.134 -13.753 834 HE2 MET 109 1HE MET 109 -10.497 -1.836 -14.179 835 HE3 MET 109 2HE MET 109 -10.273 -1.078 -12.603 836 H ILE 110 HN ILE 110 -13.776 2.756 -12.421 837 HA ILE 110 HA ILE 110 -14.383 0.001 -13.116 838 HB ILE 110 HB ILE 110 -15.253 0.212 -10.849 839 HG12 ILE 110 2HG1 ILE 110 -16.524 -1.040 -12.699 840 HG13 ILE 110 1HG1 ILE 110 -17.373 -0.713 -11.198 841 HG21 ILE 110 1HG2 ILE 110 -15.563 2.580 -10.667 842 HG22 ILE 110 2HG2 ILE 110 -17.088 1.768 -10.310 843 HG23 ILE 110 3HG2 ILE 110 -16.847 2.547 -11.872 844 HD11 ILE 110 3HD1 ILE 110 -18.826 -0.349 -13.083 845 HD12 ILE 110 1HD1 ILE 110 -17.675 0.790 -13.785 846 HD13 ILE 110 2HD1 ILE 110 -18.498 1.186 -12.275 847 H ASN 111 HN ASN 111 -14.842 0.109 -15.177 848 HA ASN 111 HA ASN 111 -17.011 1.507 -16.256 849 HB2 ASN 111 2HB ASN 111 -15.261 3.407 -15.850 850 HB3 ASN 111 1HB ASN 111 -14.430 2.717 -17.240 851 HD21 ASN 111 1HD2 ASN 111 -15.479 5.323 -17.093 852 HD22 ASN 111 2HD2 ASN 111 -16.737 5.451 -18.281 853 H LEU 112 HN LEU 112 -17.537 0.529 -18.148 854 HA LEU 112 HA LEU 112 -15.616 -1.324 -19.314 855 HB2 LEU 112 2HB LEU 112 -18.540 -0.815 -19.873 856 HB3 LEU 112 1HB LEU 112 -17.569 -1.932 -20.806 857 HG LEU 112 HG LEU 112 -18.810 -3.231 -19.276 858 HD11 LEU 112 1HD1 LEU 112 -17.098 -4.289 -17.908 859 HD12 LEU 112 2HD1 LEU 112 -16.034 -2.904 -18.158 860 HD13 LEU 112 3HD1 LEU 112 -16.494 -3.921 -19.524 861 HD21 LEU 112 3HD2 LEU 112 -19.491 -1.502 -17.724 862 HD22 LEU 112 1HD2 LEU 112 -17.846 -1.391 -17.093 863 HD23 LEU 112 2HD2 LEU 112 -18.787 -2.862 -16.850 864 H GLU 113 HN GLU 113 -16.293 1.825 -19.536 865 HA GLU 113 HA GLU 113 -15.611 3.487 -20.879 866 HB2 GLU 113 2HB GLU 113 -14.424 1.271 -22.542 867 HB3 GLU 113 1HB GLU 113 -14.255 2.977 -22.937 868 HG2 GLU 113 2HG GLU 113 -13.259 3.282 -20.640 869 HG3 GLU 113 1HG GLU 113 -13.199 1.523 -20.531 870 H HIS 114 HN HIS 114 -17.363 4.438 -21.496 871 HA HIS 114 HA HIS 114 -18.450 3.779 -24.116 872 HB2 HIS 114 2HB HIS 114 -20.789 4.034 -23.318 873 HB3 HIS 114 1HB HIS 114 -19.993 2.629 -22.625 874 HD1 HIS 114 1HD HIS 114 -19.755 2.533 -20.105 875 HD2 HIS 114 2HD HIS 114 -21.312 6.144 -21.461 876 HE1 HIS 114 1HE HIS 114 -20.544 3.749 -18.050 877 HE2 HIS 114 2HE HIS 114 -21.235 6.024 -18.880 878 H HIS 115 HN HIS 115 -18.626 5.575 -25.306 879 HA HIS 115 HA HIS 115 -18.472 8.126 -23.849 880 HB2 HIS 115 2HB HIS 115 -17.418 7.377 -26.578 881 HB3 HIS 115 1HB HIS 115 -17.480 9.034 -25.985 882 HD1 HIS 115 1HD HIS 115 -15.508 9.812 -24.682 883 HD2 HIS 115 2HD HIS 115 -15.717 5.660 -24.883 884 HE1 HIS 115 1HE HIS 115 -13.418 8.971 -23.571 885 HE2 HIS 115 2HE HIS 115 -13.679 6.466 -23.500 886 H HIS 116 HN HIS 116 -20.570 8.561 -23.587 887 HA HIS 116 HA HIS 116 -22.308 8.680 -25.966 888 HB2 HIS 116 2HB HIS 116 -22.974 7.363 -23.870 889 HB3 HIS 116 1HB HIS 116 -23.132 8.917 -23.063 890 HD1 HIS 116 1HD HIS 116 -25.437 6.776 -23.641 891 HD2 HIS 116 2HD HIS 116 -24.780 10.340 -25.681 892 HE1 HIS 116 1HE HIS 116 -27.650 7.396 -24.655 893 HE2 HIS 116 2HE HIS 116 -27.277 9.651 -25.716 894 H HIS 117 HN HIS 117 -22.935 10.648 -26.728 895 HA HIS 117 HA HIS 117 -22.585 12.966 -24.959 896 HB2 HIS 117 2HB HIS 117 -20.590 12.739 -26.453 897 HB3 HIS 117 1HB HIS 117 -21.662 12.911 -27.839 898 HD1 HIS 117 1HD HIS 117 -22.217 15.246 -28.574 899 HD2 HIS 117 2HD HIS 117 -20.442 15.120 -24.808 900 HE1 HIS 117 1HE HIS 117 -21.752 17.642 -27.957 901 HE2 HIS 117 2HE HIS 117 -20.834 17.551 -25.610 902 H HIS 118 HN HIS 118 -24.540 13.805 -24.754 903 HA HIS 118 HA HIS 118 -26.179 14.135 -27.189 904 HB2 HIS 118 2HB HIS 118 -27.264 12.619 -25.585 905 HB3 HIS 118 1HB HIS 118 -27.119 13.836 -24.323 906 HD1 HIS 118 1HD HIS 118 -29.089 12.987 -27.401 907 HD2 HIS 118 2HD HIS 118 -29.038 15.872 -24.405 908 HE1 HIS 118 1HE HIS 118 -31.231 14.270 -27.661 909 HE2 HIS 118 2HE HIS 118 -31.220 15.961 -25.797 910 H HIS 119 HN HIS 119 -26.866 16.157 -27.668 911 HA HIS 119 HA HIS 119 -25.633 18.385 -26.461 912 HB2 HIS 119 2HB HIS 119 -26.383 18.426 -28.790 913 HB3 HIS 119 1HB HIS 119 -28.055 18.258 -28.272 914 HD1 HIS 119 1HD HIS 119 -29.027 20.441 -28.991 915 HD2 HIS 119 2HD HIS 119 -25.486 20.914 -26.867 916 HE1 HIS 119 1HE HIS 119 -28.794 22.915 -28.610 917 HE2 HIS 119 2HE HIS 119 -26.751 23.155 -27.151 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -7.746 -26.116 -6.429 2 H2 MET 1 H2 MET 1 -8.577 -25.500 -5.088 3 H3 MET 1 H3 MET 1 -9.312 -26.659 -6.075 4 HA MET 1 HA MET 1 -7.700 -28.306 -5.431 5 HB2 MET 1 2HB MET 1 -6.622 -26.063 -3.711 6 HB3 MET 1 1HB MET 1 -6.200 -27.752 -3.481 7 HG2 MET 1 2HG MET 1 -4.446 -26.710 -4.695 8 HG3 MET 1 1HG MET 1 -5.305 -27.785 -5.794 9 HE1 MET 1 2HE MET 1 -3.270 -25.507 -6.730 10 HE2 MET 1 3HE MET 1 -4.139 -24.827 -8.107 11 HE3 MET 1 1HE MET 1 -4.108 -26.573 -7.859 12 HA PRO 2 HA PRO 2 -10.804 -29.331 -2.402 13 HB2 PRO 2 2HB PRO 2 -9.358 -31.353 -1.155 14 HB3 PRO 2 1HB PRO 2 -10.386 -31.560 -2.577 15 HG2 PRO 2 2HG PRO 2 -7.424 -31.254 -2.397 16 HG3 PRO 2 1HG PRO 2 -8.388 -32.258 -3.496 17 HD2 PRO 2 2HD PRO 2 -7.255 -29.954 -4.294 18 HD3 PRO 2 1HD PRO 2 -8.830 -30.485 -4.919 19 H THR 3 HN THR 3 -7.460 -29.509 -1.163 20 HA THR 3 HA THR 3 -8.323 -28.120 1.266 21 HB THR 3 HB THR 3 -5.949 -28.675 2.025 22 HG1 THR 3 1HG THR 3 -5.686 -30.799 0.374 23 HG21 THR 3 3HG2 THR 3 -6.510 -30.994 2.575 24 HG22 THR 3 1HG2 THR 3 -7.788 -30.976 1.360 25 HG23 THR 3 2HG2 THR 3 -7.909 -29.939 2.780 26 H PHE 4 HN PHE 4 -5.928 -26.890 1.972 27 HA PHE 4 HA PHE 4 -5.837 -24.777 -0.017 28 HB2 PHE 4 2HB PHE 4 -4.770 -23.476 1.842 29 HB3 PHE 4 1HB PHE 4 -6.426 -23.963 2.128 30 HD1 PHE 4 2HD PHE 4 -6.902 -25.794 3.743 31 HD2 PHE 4 1HD PHE 4 -2.984 -24.214 3.220 32 HE1 PHE 4 2HE PHE 4 -6.212 -26.802 5.878 33 HE2 PHE 4 1HE PHE 4 -2.291 -25.219 5.355 34 HZ PHE 4 HZ PHE 4 -3.907 -26.514 6.686 35 H ASP 5 HN ASP 5 -4.146 -24.461 -1.240 36 HA ASP 5 HA ASP 5 -1.592 -25.729 -0.563 37 HB2 ASP 5 2HB ASP 5 -2.534 -26.149 -2.863 38 HB3 ASP 5 1HB ASP 5 -2.395 -24.423 -3.181 39 H HIS 6 HN HIS 6 -1.341 -24.203 1.094 40 HA HIS 6 HA HIS 6 -0.625 -22.284 2.100 41 HB2 HIS 6 2HB HIS 6 -0.102 -21.334 -0.731 42 HB3 HIS 6 1HB HIS 6 0.273 -20.392 0.704 43 HD1 HIS 6 1HD HIS 6 2.702 -20.618 -0.637 44 HD2 HIS 6 2HD HIS 6 1.282 -23.935 1.440 45 HE1 HIS 6 1HE HIS 6 4.704 -22.101 -0.265 46 HE2 HIS 6 2HE HIS 6 3.812 -24.132 0.938 47 H GLY 7 HN GLY 7 -1.236 -19.768 2.007 48 HA2 GLY 7 2HA GLY 7 -4.044 -19.626 1.105 49 HA3 GLY 7 1HA GLY 7 -3.525 -18.997 2.665 50 H ASN 8 HN ASN 8 -4.840 -17.479 0.697 51 HA ASN 8 HA ASN 8 -2.690 -15.547 0.102 52 HB2 ASN 8 2HB ASN 8 -5.303 -15.643 -1.382 53 HB3 ASN 8 1HB ASN 8 -3.856 -14.753 -1.804 54 HD21 ASN 8 1HD2 ASN 8 -2.123 -15.829 -2.760 55 HD22 ASN 8 2HD2 ASN 8 -2.307 -17.388 -3.481 56 H LEU 9 HN LEU 9 -3.000 -13.502 0.747 57 HA LEU 9 HA LEU 9 -5.604 -12.628 1.690 58 HB2 LEU 9 2HB LEU 9 -4.266 -13.632 3.603 59 HB3 LEU 9 1HB LEU 9 -3.126 -12.323 3.382 60 HG LEU 9 HG LEU 9 -4.803 -12.059 5.232 61 HD11 LEU 9 1HD1 LEU 9 -4.721 -9.911 3.137 62 HD12 LEU 9 2HD1 LEU 9 -3.537 -10.166 4.418 63 HD13 LEU 9 3HD1 LEU 9 -5.183 -9.682 4.823 64 HD21 LEU 9 3HD2 LEU 9 -7.037 -11.261 4.633 65 HD22 LEU 9 1HD2 LEU 9 -6.763 -12.917 4.098 66 HD23 LEU 9 2HD2 LEU 9 -6.688 -11.594 2.938 67 H SER 10 HN SER 10 -5.969 -10.657 0.909 68 HA SER 10 HA SER 10 -3.665 -9.145 -0.084 69 HB2 SER 10 2HB SER 10 -5.580 -7.957 -1.419 70 HB3 SER 10 1HB SER 10 -5.002 -9.539 -1.943 71 HG SER 10 HG SER 10 -6.924 -10.280 -1.607 72 H LEU 11 HN LEU 11 -3.338 -7.059 0.516 73 HA LEU 11 HA LEU 11 -4.790 -6.163 2.860 74 HB2 LEU 11 2HB LEU 11 -2.474 -4.920 1.372 75 HB3 LEU 11 1HB LEU 11 -3.144 -4.307 2.871 76 HG LEU 11 HG LEU 11 -1.770 -6.975 2.512 77 HD11 LEU 11 1HD1 LEU 11 -0.252 -5.052 2.443 78 HD12 LEU 11 2HD1 LEU 11 -0.027 -6.013 3.903 79 HD13 LEU 11 3HD1 LEU 11 -0.909 -4.487 3.979 80 HD21 LEU 11 3HD2 LEU 11 -2.891 -5.672 4.990 81 HD22 LEU 11 1HD2 LEU 11 -1.945 -7.160 4.945 82 HD23 LEU 11 2HD2 LEU 11 -3.538 -7.105 4.187 83 H GLY 12 HN GLY 12 -5.117 -5.882 -0.433 84 HA2 GLY 12 2HA GLY 12 -6.803 -4.763 -1.582 85 HA3 GLY 12 1HA GLY 12 -7.113 -3.801 -0.140 86 H GLU 13 HN GLU 13 -7.239 -2.169 -1.992 87 HA GLU 13 HA GLU 13 -4.754 -1.183 -3.004 88 HB2 GLU 13 2HB GLU 13 -7.503 0.072 -2.876 89 HB3 GLU 13 1HB GLU 13 -6.133 0.751 -3.744 90 HG2 GLU 13 2HG GLU 13 -7.332 -1.947 -4.308 91 HG3 GLU 13 1HG GLU 13 -7.739 -0.468 -5.176 92 H LEU 14 HN LEU 14 -3.309 -0.376 -1.632 93 HA LEU 14 HA LEU 14 -4.233 1.058 0.741 94 HB2 LEU 14 2HB LEU 14 -1.476 0.111 -0.045 95 HB3 LEU 14 1HB LEU 14 -1.861 0.935 1.454 96 HG LEU 14 HG LEU 14 -2.874 -1.779 0.609 97 HD11 LEU 14 1HD1 LEU 14 -0.929 -0.936 2.746 98 HD12 LEU 14 2HD1 LEU 14 -0.536 -1.797 1.257 99 HD13 LEU 14 3HD1 LEU 14 -1.526 -2.576 2.493 100 HD21 LEU 14 3HD2 LEU 14 -3.345 -0.242 3.156 101 HD22 LEU 14 1HD2 LEU 14 -3.872 -1.893 2.824 102 HD23 LEU 14 2HD2 LEU 14 -4.545 -0.548 1.900 103 H GLU 15 HN GLU 15 -3.523 3.121 1.270 104 HA GLU 15 HA GLU 15 -3.244 4.897 -0.941 105 HB2 GLU 15 2HB GLU 15 -3.012 5.416 2.032 106 HB3 GLU 15 1HB GLU 15 -3.109 6.660 0.793 107 HG2 GLU 15 2HG GLU 15 -5.333 5.846 0.162 108 HG3 GLU 15 1HG GLU 15 -5.236 4.630 1.435 109 H LEU 16 HN LEU 16 -1.440 5.663 -1.844 110 HA LEU 16 HA LEU 16 1.133 4.814 -0.832 111 HB2 LEU 16 2HB LEU 16 0.345 4.910 -3.282 112 HB3 LEU 16 1HB LEU 16 0.628 6.633 -3.176 113 HG LEU 16 HG LEU 16 2.474 5.363 -4.258 114 HD11 LEU 16 1HD1 LEU 16 4.302 6.442 -3.075 115 HD12 LEU 16 2HD1 LEU 16 3.256 6.717 -1.682 116 HD13 LEU 16 3HD1 LEU 16 2.919 7.530 -3.211 117 HD21 LEU 16 3HD2 LEU 16 2.363 3.322 -2.964 118 HD22 LEU 16 1HD2 LEU 16 2.830 4.194 -1.505 119 HD23 LEU 16 2HD2 LEU 16 3.973 4.031 -2.839 120 H THR 17 HN THR 17 2.173 5.926 0.660 121 HA THR 17 HA THR 17 1.594 8.753 1.086 122 HB THR 17 HB THR 17 3.401 6.911 2.672 123 HG1 THR 17 1HG THR 17 0.945 6.544 2.493 124 HG21 THR 17 3HG2 THR 17 3.162 8.587 4.445 125 HG22 THR 17 1HG2 THR 17 2.179 9.584 3.374 126 HG23 THR 17 2HG2 THR 17 3.876 9.298 2.996 127 H VAL 18 HN VAL 18 2.982 10.390 0.610 128 HA VAL 18 HA VAL 18 5.526 9.599 -0.650 129 HB VAL 18 HB VAL 18 3.921 12.119 -1.123 130 HG11 VAL 18 1HG1 VAL 18 6.307 12.499 -1.411 131 HG12 VAL 18 2HG1 VAL 18 5.489 12.514 -2.972 132 HG13 VAL 18 3HG1 VAL 18 6.419 11.100 -2.479 133 HG21 VAL 18 3HG2 VAL 18 4.305 9.693 -2.876 134 HG22 VAL 18 1HG2 VAL 18 3.459 11.174 -3.334 135 HG23 VAL 18 2HG2 VAL 18 2.817 10.154 -2.046 136 H LEU 19 HN LEU 19 7.342 10.161 0.348 137 HA LEU 19 HA LEU 19 7.288 12.251 2.399 138 HB2 LEU 19 2HB LEU 19 9.494 10.345 1.597 139 HB3 LEU 19 1HB LEU 19 9.565 11.479 2.933 140 HG LEU 19 HG LEU 19 7.697 9.115 2.716 141 HD11 LEU 19 1HD1 LEU 19 9.013 8.206 4.566 142 HD12 LEU 19 2HD1 LEU 19 10.090 9.602 4.487 143 HD13 LEU 19 3HD1 LEU 19 10.012 8.472 3.135 144 HD21 LEU 19 3HD2 LEU 19 6.654 10.965 3.909 145 HD22 LEU 19 1HD2 LEU 19 8.076 11.120 4.941 146 HD23 LEU 19 2HD2 LEU 19 7.080 9.666 5.024 147 H TYR 20 HN TYR 20 7.838 14.244 1.871 148 HA TYR 20 HA TYR 20 9.851 14.830 -0.101 149 HB2 TYR 20 2HB TYR 20 8.400 16.058 -1.629 150 HB3 TYR 20 1HB TYR 20 7.842 14.393 -1.514 151 HD1 TYR 20 1HD TYR 20 5.880 13.934 0.110 152 HD2 TYR 20 2HD TYR 20 6.907 17.822 -1.277 153 HE1 TYR 20 1HE TYR 20 3.632 14.732 0.697 154 HE2 TYR 20 2HE TYR 20 4.659 18.631 -0.691 155 HH TYR 20 HH TYR 20 2.476 16.776 1.211 156 H ASP 21 HN ASP 21 9.814 17.339 -0.469 157 HA ASP 21 HA ASP 21 9.254 18.601 2.125 158 HB2 ASP 21 2HB ASP 21 11.633 18.608 1.545 159 HB3 ASP 21 1HB ASP 21 11.266 19.391 0.008 160 H GLU 22 HN GLU 22 7.402 19.681 2.055 161 HA GLU 22 HA GLU 22 6.254 20.545 -0.423 162 HB2 GLU 22 2HB GLU 22 4.419 21.419 1.069 163 HB3 GLU 22 1HB GLU 22 4.743 19.696 1.192 164 HG2 GLU 22 2HG GLU 22 5.909 19.991 3.253 165 HG3 GLU 22 1HG GLU 22 5.843 21.747 3.094 166 H GLU 23 HN GLU 23 8.472 21.967 1.650 167 HA GLU 23 HA GLU 23 7.663 24.686 1.358 168 HB2 GLU 23 2HB GLU 23 10.381 23.511 1.983 169 HB3 GLU 23 1HB GLU 23 9.925 25.196 2.174 170 HG2 GLU 23 2HG GLU 23 8.692 22.888 3.652 171 HG3 GLU 23 1HG GLU 23 9.922 23.971 4.292 172 H ARG 24 HN ARG 24 9.704 22.453 -0.406 173 HA ARG 24 HA ARG 24 10.345 24.554 -2.346 174 HB2 ARG 24 2HB ARG 24 11.636 21.893 -1.765 175 HB3 ARG 24 1HB ARG 24 12.063 22.890 -3.145 176 HG2 ARG 24 2HG ARG 24 12.256 23.771 -0.278 177 HG3 ARG 24 1HG ARG 24 13.599 23.153 -1.241 178 HD2 ARG 24 2HD ARG 24 11.948 25.584 -1.914 179 HD3 ARG 24 1HD ARG 24 13.539 25.616 -1.155 180 HE ARG 24 HE ARG 24 14.173 24.298 -3.323 181 HH11 ARG 24 1HH1 ARG 24 11.912 26.963 -3.077 182 HH12 ARG 24 2HH1 ARG 24 12.257 27.569 -4.664 183 HH21 ARG 24 1HH2 ARG 24 14.617 25.089 -5.430 184 HH22 ARG 24 2HH2 ARG 24 13.782 26.506 -6.011 185 H TYR 25 HN TYR 25 9.070 21.213 -2.169 186 HA TYR 25 HA TYR 25 8.489 21.458 -5.046 187 HB2 TYR 25 2HB TYR 25 9.243 18.969 -3.511 188 HB3 TYR 25 1HB TYR 25 8.821 19.020 -5.223 189 HD1 TYR 25 2HD TYR 25 10.250 20.670 -6.676 190 HD2 TYR 25 1HD TYR 25 11.478 19.145 -2.898 191 HE1 TYR 25 2HE TYR 25 12.584 21.198 -7.230 192 HE2 TYR 25 1HE TYR 25 13.819 19.675 -3.440 193 HH TYR 25 HH TYR 25 15.221 20.020 -5.461 194 H ASP 26 HN ASP 26 6.678 20.420 -5.885 195 HA ASP 26 HA ASP 26 4.529 19.863 -3.948 196 HB2 ASP 26 2HB ASP 26 4.270 22.090 -4.949 197 HB3 ASP 26 1HB ASP 26 4.347 21.396 -6.557 198 H ILE 27 HN ILE 27 2.893 18.404 -4.751 199 HA ILE 27 HA ILE 27 4.145 16.304 -6.335 200 HB ILE 27 HB ILE 27 1.528 16.259 -4.820 201 HG12 ILE 27 2HG1 ILE 27 4.243 15.149 -4.071 202 HG13 ILE 27 1HG1 ILE 27 3.490 16.567 -3.352 203 HG21 ILE 27 1HG2 ILE 27 3.133 14.023 -6.052 204 HG22 ILE 27 2HG2 ILE 27 1.576 14.627 -6.622 205 HG23 ILE 27 3HG2 ILE 27 1.691 13.821 -5.057 206 HD11 ILE 27 3HD1 ILE 27 1.672 15.157 -2.502 207 HD12 ILE 27 1HD1 ILE 27 3.252 14.648 -1.903 208 HD13 ILE 27 2HD1 ILE 27 2.465 13.742 -3.196 209 H VAL 28 HN VAL 28 3.893 16.404 -8.473 210 HA VAL 28 HA VAL 28 1.555 17.628 -9.657 211 HB VAL 28 HB VAL 28 3.667 16.068 -11.138 212 HG11 VAL 28 1HG1 VAL 28 1.912 18.384 -11.939 213 HG12 VAL 28 2HG1 VAL 28 1.683 16.697 -12.400 214 HG13 VAL 28 3HG1 VAL 28 3.098 17.581 -12.968 215 HG21 VAL 28 3HG2 VAL 28 4.911 18.166 -11.401 216 HG22 VAL 28 1HG2 VAL 28 4.837 17.651 -9.716 217 HG23 VAL 28 2HG2 VAL 28 3.797 18.956 -10.287 218 H GLU 29 HN GLU 29 3.049 14.397 -9.643 219 HA GLU 29 HA GLU 29 0.417 13.203 -9.595 220 HB2 GLU 29 2HB GLU 29 0.674 11.777 -11.486 221 HB3 GLU 29 1HB GLU 29 1.027 13.404 -12.040 222 HG2 GLU 29 2HG GLU 29 3.349 12.976 -12.127 223 HG3 GLU 29 1HG GLU 29 3.175 11.461 -11.245 224 H GLN 30 HN GLN 30 0.466 10.964 -8.996 225 HA GLN 30 HA GLN 30 2.965 9.761 -8.220 226 HB2 GLN 30 2HB GLN 30 2.407 9.549 -5.843 227 HB3 GLN 30 1HB GLN 30 2.537 11.242 -6.295 228 HG2 GLN 30 2HG GLN 30 0.207 11.550 -6.232 229 HG3 GLN 30 1HG GLN 30 -0.100 9.814 -6.194 230 HE21 GLN 30 1HE2 GLN 30 0.142 8.693 -4.274 231 HE22 GLN 30 2HE2 GLN 30 0.283 9.489 -2.744 232 H THR 31 HN THR 31 2.382 7.653 -6.941 233 HA THR 31 HA THR 31 0.377 6.206 -8.371 234 HB THR 31 HB THR 31 1.742 5.364 -5.803 235 HG1 THR 31 1HG THR 31 2.777 5.767 -8.323 236 HG21 THR 31 3HG2 THR 31 -0.106 3.934 -6.518 237 HG22 THR 31 1HG2 THR 31 1.436 3.101 -6.716 238 HG23 THR 31 2HG2 THR 31 0.612 3.781 -8.119 239 H GLU 32 HN GLU 32 -1.739 6.017 -7.854 240 HA GLU 32 HA GLU 32 -2.772 7.505 -5.637 241 HB2 GLU 32 2HB GLU 32 -4.998 6.495 -6.484 242 HB3 GLU 32 1HB GLU 32 -4.156 7.663 -7.492 243 HG2 GLU 32 2HG GLU 32 -3.229 5.831 -8.825 244 HG3 GLU 32 1HG GLU 32 -4.093 4.676 -7.816 245 H THR 33 HN THR 33 -3.029 4.057 -6.530 246 HA THR 33 HA THR 33 -3.003 3.415 -3.673 247 HB THR 33 HB THR 33 -4.709 1.622 -4.113 248 HG1 THR 33 1HG THR 33 -5.327 1.329 -6.105 249 HG21 THR 33 3HG2 THR 33 -5.343 3.710 -3.003 250 HG22 THR 33 1HG2 THR 33 -6.648 3.106 -4.024 251 HG23 THR 33 2HG2 THR 33 -5.651 4.453 -4.573 252 H VAL 34 HN VAL 34 -2.259 1.257 -3.219 253 HA VAL 34 HA VAL 34 -0.930 -0.030 -5.515 254 HB VAL 34 HB VAL 34 0.701 -0.934 -3.728 255 HG11 VAL 34 1HG1 VAL 34 2.141 1.046 -3.992 256 HG12 VAL 34 2HG1 VAL 34 0.753 1.941 -4.619 257 HG13 VAL 34 3HG1 VAL 34 1.376 0.542 -5.502 258 HG21 VAL 34 3HG2 VAL 34 -0.494 -0.161 -1.761 259 HG22 VAL 34 1HG2 VAL 34 -0.359 1.509 -2.310 260 HG23 VAL 34 2HG2 VAL 34 1.088 0.611 -1.852 261 H GLN 35 HN GLN 35 -0.869 -2.220 -5.603 262 HA GLN 35 HA GLN 35 -2.895 -3.606 -4.034 263 HB2 GLN 35 2HB GLN 35 -3.075 -3.835 -6.440 264 HB3 GLN 35 1HB GLN 35 -1.401 -4.360 -6.553 265 HG2 GLN 35 2HG GLN 35 -1.977 -6.370 -5.251 266 HG3 GLN 35 1HG GLN 35 -3.661 -5.850 -5.241 267 HE21 GLN 35 1HE2 GLN 35 -2.433 -8.264 -6.343 268 HE22 GLN 35 2HE2 GLN 35 -2.857 -8.272 -8.027 269 H VAL 36 HN VAL 36 -2.205 -4.599 -2.253 270 HA VAL 36 HA VAL 36 0.470 -5.835 -2.316 271 HB VAL 36 HB VAL 36 -1.043 -5.019 0.169 272 HG11 VAL 36 1HG1 VAL 36 1.825 -5.844 -0.285 273 HG12 VAL 36 2HG1 VAL 36 0.576 -6.783 0.537 274 HG13 VAL 36 3HG1 VAL 36 1.158 -5.277 1.247 275 HG21 VAL 36 3HG2 VAL 36 0.474 -3.107 0.319 276 HG22 VAL 36 1HG2 VAL 36 -0.516 -3.028 -1.137 277 HG23 VAL 36 2HG2 VAL 36 1.171 -3.532 -1.245 278 H ASP 37 HN ASP 37 0.455 -7.940 -2.412 279 HA ASP 37 HA ASP 37 -1.815 -9.434 -1.265 280 HB2 ASP 37 2HB ASP 37 -0.035 -10.145 -3.614 281 HB3 ASP 37 1HB ASP 37 -1.163 -11.268 -2.868 282 H LEU 38 HN LEU 38 -1.337 -10.813 0.328 283 HA LEU 38 HA LEU 38 1.504 -11.462 0.771 284 HB2 LEU 38 2HB LEU 38 -0.739 -11.257 2.788 285 HB3 LEU 38 1HB LEU 38 0.904 -11.746 3.156 286 HG LEU 38 HG LEU 38 0.071 -9.029 2.134 287 HD11 LEU 38 1HD1 LEU 38 0.987 -9.909 4.867 288 HD12 LEU 38 2HD1 LEU 38 -0.651 -9.427 4.423 289 HD13 LEU 38 3HD1 LEU 38 0.660 -8.248 4.368 290 HD21 LEU 38 3HD2 LEU 38 2.294 -9.611 1.371 291 HD22 LEU 38 1HD2 LEU 38 2.759 -10.079 3.005 292 HD23 LEU 38 2HD2 LEU 38 2.392 -8.394 2.642 293 H GLU 39 HN GLU 39 2.028 -13.531 0.546 294 HA GLU 39 HA GLU 39 -0.139 -15.519 0.693 295 HB2 GLU 39 2HB GLU 39 2.278 -15.524 -1.116 296 HB3 GLU 39 1HB GLU 39 1.114 -16.837 -0.990 297 HG2 GLU 39 2HG GLU 39 -0.642 -15.401 -1.797 298 HG3 GLU 39 1HG GLU 39 0.466 -14.037 -1.830 299 H GLY 40 HN GLY 40 0.580 -17.695 1.187 300 HA2 GLY 40 2HA GLY 40 2.633 -18.918 2.117 301 HA3 GLY 40 1HA GLY 40 2.678 -17.583 3.261 302 HA PRO 41 HA PRO 41 0.362 -20.971 5.399 303 HB2 PRO 41 2HB PRO 41 1.270 -19.321 7.691 304 HB3 PRO 41 1HB PRO 41 1.361 -21.069 7.458 305 HG2 PRO 41 2HG PRO 41 3.537 -19.538 7.268 306 HG3 PRO 41 1HG PRO 41 3.296 -20.935 6.201 307 HD2 PRO 41 2HD PRO 41 2.957 -18.023 5.623 308 HD3 PRO 41 1HD PRO 41 3.599 -19.313 4.586 309 H ARG 42 HN ARG 42 -1.759 -20.721 5.474 310 HA ARG 42 HA ARG 42 -3.083 -18.255 5.482 311 HB2 ARG 42 2HB ARG 42 -5.157 -19.621 5.874 312 HB3 ARG 42 1HB ARG 42 -4.190 -20.105 4.493 313 HG2 ARG 42 2HG ARG 42 -4.718 -22.133 5.402 314 HG3 ARG 42 1HG ARG 42 -3.169 -21.820 6.181 315 HD2 ARG 42 2HD ARG 42 -4.340 -20.988 8.163 316 HD3 ARG 42 1HD ARG 42 -5.888 -21.304 7.380 317 HE ARG 42 HE ARG 42 -3.987 -23.497 7.858 318 HH11 ARG 42 1HH1 ARG 42 -7.085 -21.987 8.463 319 HH12 ARG 42 2HH1 ARG 42 -7.792 -23.427 9.140 320 HH21 ARG 42 1HH2 ARG 42 -4.892 -25.375 8.784 321 HH22 ARG 42 2HH2 ARG 42 -6.532 -25.344 9.367 322 H GLY 43 HN GLY 43 -2.104 -20.324 8.102 323 HA2 GLY 43 2HA GLY 43 -3.719 -19.277 10.148 324 HA3 GLY 43 1HA GLY 43 -2.134 -20.006 10.376 325 H VAL 44 HN VAL 44 -0.473 -18.291 9.074 326 HA VAL 44 HA VAL 44 -0.152 -16.215 10.950 327 HB VAL 44 HB VAL 44 1.081 -16.392 8.192 328 HG11 VAL 44 1HG1 VAL 44 1.991 -14.917 10.662 329 HG12 VAL 44 2HG1 VAL 44 1.312 -14.187 9.209 330 HG13 VAL 44 3HG1 VAL 44 2.866 -15.013 9.134 331 HG21 VAL 44 3HG2 VAL 44 2.985 -17.467 9.310 332 HG22 VAL 44 1HG2 VAL 44 1.512 -18.428 9.449 333 HG23 VAL 44 2HG2 VAL 44 2.080 -17.481 10.823 334 H LEU 45 HN LEU 45 -1.481 -16.275 7.688 335 HA LEU 45 HA LEU 45 -1.868 -13.538 7.292 336 HB2 LEU 45 2HB LEU 45 -3.582 -15.835 6.330 337 HB3 LEU 45 1HB LEU 45 -3.603 -14.207 5.678 338 HG LEU 45 HG LEU 45 -1.213 -16.051 5.593 339 HD11 LEU 45 1HD1 LEU 45 -1.734 -16.270 3.210 340 HD12 LEU 45 2HD1 LEU 45 -3.208 -15.333 3.450 341 HD13 LEU 45 3HD1 LEU 45 -3.029 -16.910 4.222 342 HD21 LEU 45 3HD2 LEU 45 -0.649 -13.666 5.582 343 HD22 LEU 45 1HD2 LEU 45 -1.751 -13.411 4.228 344 HD23 LEU 45 2HD2 LEU 45 -0.314 -14.417 4.021 345 H THR 46 HN THR 46 -3.876 -15.951 8.890 346 HA THR 46 HA THR 46 -6.112 -14.260 9.332 347 HB THR 46 HB THR 46 -5.324 -16.742 10.878 348 HG1 THR 46 1HG THR 46 -5.480 -17.297 8.708 349 HG21 THR 46 3HG2 THR 46 -7.996 -15.397 10.452 350 HG22 THR 46 1HG2 THR 46 -7.090 -15.466 11.962 351 HG23 THR 46 2HG2 THR 46 -7.751 -16.944 11.263 352 H VAL 47 HN VAL 47 -3.389 -15.269 11.398 353 HA VAL 47 HA VAL 47 -4.168 -13.864 13.707 354 HB VAL 47 HB VAL 47 -1.361 -14.545 12.806 355 HG11 VAL 47 1HG1 VAL 47 -1.346 -12.870 14.564 356 HG12 VAL 47 2HG1 VAL 47 -0.805 -14.423 15.203 357 HG13 VAL 47 3HG1 VAL 47 -2.439 -13.851 15.539 358 HG21 VAL 47 3HG2 VAL 47 -2.766 -16.517 12.918 359 HG22 VAL 47 1HG2 VAL 47 -3.303 -16.070 14.535 360 HG23 VAL 47 2HG2 VAL 47 -1.619 -16.515 14.259 361 H PHE 48 HN PHE 48 -2.261 -12.904 10.904 362 HA PHE 48 HA PHE 48 -1.407 -10.395 11.838 363 HB2 PHE 48 2HB PHE 48 -0.456 -11.480 9.853 364 HB3 PHE 48 1HB PHE 48 -1.988 -11.309 9.009 365 HD1 PHE 48 1HD PHE 48 0.786 -9.379 10.529 366 HD2 PHE 48 2HD PHE 48 -2.470 -9.382 7.788 367 HE1 PHE 48 1HE PHE 48 1.522 -7.201 9.657 368 HE2 PHE 48 2HE PHE 48 -1.739 -7.202 6.912 369 HZ PHE 48 HZ PHE 48 0.258 -6.110 7.847 370 H ARG 49 HN ARG 49 -4.395 -11.444 10.293 371 HA ARG 49 HA ARG 49 -5.404 -8.836 9.828 372 HB2 ARG 49 2HB ARG 49 -5.984 -10.736 8.456 373 HB3 ARG 49 1HB ARG 49 -6.632 -11.588 9.846 374 HG2 ARG 49 2HG ARG 49 -8.342 -10.696 8.402 375 HG3 ARG 49 1HG ARG 49 -8.424 -10.025 10.025 376 HD2 ARG 49 2HD ARG 49 -8.790 -8.325 8.258 377 HD3 ARG 49 1HD ARG 49 -7.399 -7.974 9.278 378 HE ARG 49 HE ARG 49 -6.293 -9.283 7.193 379 HH11 ARG 49 1HH1 ARG 49 -8.547 -6.623 7.343 380 HH12 ARG 49 2HH1 ARG 49 -7.912 -5.830 5.939 381 HH21 ARG 49 1HH2 ARG 49 -5.455 -8.233 5.314 382 HH22 ARG 49 2HH2 ARG 49 -6.160 -6.735 4.793 383 H PHE 50 HN PHE 50 -5.334 -10.947 12.557 384 HA PHE 50 HA PHE 50 -7.584 -9.889 13.931 385 HB2 PHE 50 2HB PHE 50 -5.153 -11.432 14.805 386 HB3 PHE 50 1HB PHE 50 -6.351 -10.869 15.953 387 HD1 PHE 50 2HD PHE 50 -8.851 -11.333 14.483 388 HD2 PHE 50 1HD PHE 50 -5.350 -13.731 14.795 389 HE1 PHE 50 2HE PHE 50 -10.195 -13.345 14.059 390 HE2 PHE 50 1HE PHE 50 -6.691 -15.749 14.373 391 HZ PHE 50 HZ PHE 50 -9.116 -15.558 14.002 392 H ALA 51 HN ALA 51 -4.304 -8.898 13.525 393 HA ALA 51 HA ALA 51 -4.374 -7.043 15.742 394 HB1 ALA 51 1HB ALA 51 -2.068 -6.529 15.087 395 HB2 ALA 51 2HB ALA 51 -2.239 -7.579 13.678 396 HB3 ALA 51 3HB ALA 51 -2.313 -8.260 15.302 397 H ARG 52 HN ARG 52 -3.987 -4.775 15.443 398 HA ARG 52 HA ARG 52 -5.645 -3.602 13.490 399 HB2 ARG 52 2HB ARG 52 -3.721 -2.599 15.538 400 HB3 ARG 52 1HB ARG 52 -4.372 -1.491 14.351 401 HG2 ARG 52 2HG ARG 52 -6.039 -3.183 16.191 402 HG3 ARG 52 1HG ARG 52 -5.608 -1.495 16.489 403 HD2 ARG 52 2HD ARG 52 -6.738 -0.829 14.440 404 HD3 ARG 52 1HD ARG 52 -7.129 -2.511 14.091 405 HE ARG 52 HE ARG 52 -8.139 -1.836 16.627 406 HH11 ARG 52 1HH1 ARG 52 -8.664 -1.062 13.252 407 HH12 ARG 52 2HH1 ARG 52 -10.373 -0.817 13.440 408 HH21 ARG 52 1HH2 ARG 52 -10.403 -1.484 16.882 409 HH22 ARG 52 2HH2 ARG 52 -11.351 -1.032 15.497 410 HA PRO 53 HA PRO 53 -2.908 -3.193 10.079 411 HB2 PRO 53 2HB PRO 53 -3.960 -0.546 9.465 412 HB3 PRO 53 1HB PRO 53 -4.132 -2.047 8.558 413 HG2 PRO 53 2HG PRO 53 -6.200 -0.895 9.870 414 HG3 PRO 53 1HG PRO 53 -6.057 -2.651 9.652 415 HD2 PRO 53 2HD PRO 53 -5.470 -0.982 12.064 416 HD3 PRO 53 1HD PRO 53 -6.207 -2.595 11.955 417 H SER 54 HN SER 54 -0.842 -2.769 10.307 418 HA SER 54 HA SER 54 -0.013 -0.077 11.040 419 HB2 SER 54 2HB SER 54 1.265 -2.733 11.639 420 HB3 SER 54 1HB SER 54 1.982 -1.182 11.994 421 HG SER 54 HG SER 54 -0.586 -1.486 12.922 422 H TYR 55 HN TYR 55 -0.427 -2.028 8.578 423 HA TYR 55 HA TYR 55 2.141 -1.859 7.298 424 HB2 TYR 55 2HB TYR 55 0.792 -2.749 5.293 425 HB3 TYR 55 1HB TYR 55 1.007 -3.798 6.683 426 HD1 TYR 55 1HD TYR 55 -1.414 -1.792 4.773 427 HD2 TYR 55 2HD TYR 55 -0.867 -4.442 8.051 428 HE1 TYR 55 1HE TYR 55 -3.844 -2.150 4.881 429 HE2 TYR 55 2HE TYR 55 -3.292 -4.806 8.173 430 HH TYR 55 HH TYR 55 -5.418 -3.897 5.720 431 H GLU 56 HN GLU 56 2.873 -0.235 6.142 432 HA GLU 56 HA GLU 56 0.966 1.609 4.899 433 HB2 GLU 56 2HB GLU 56 1.734 2.426 7.178 434 HB3 GLU 56 1HB GLU 56 3.349 2.544 6.501 435 HG2 GLU 56 2HG GLU 56 2.653 4.222 4.955 436 HG3 GLU 56 1HG GLU 56 0.962 4.004 5.405 437 H VAL 57 HN VAL 57 1.718 2.545 3.016 438 HA VAL 57 HA VAL 57 4.318 1.548 2.048 439 HB VAL 57 HB VAL 57 1.942 2.224 0.302 440 HG11 VAL 57 1HG1 VAL 57 4.492 0.703 -0.228 441 HG12 VAL 57 2HG1 VAL 57 4.083 2.314 -0.820 442 HG13 VAL 57 3HG1 VAL 57 3.170 0.912 -1.376 443 HG21 VAL 57 3HG2 VAL 57 2.789 -0.506 1.283 444 HG22 VAL 57 1HG2 VAL 57 1.525 -0.175 0.096 445 HG23 VAL 57 2HG2 VAL 57 1.332 0.362 1.767 446 H PHE 58 HN PHE 58 5.751 3.070 1.528 447 HA PHE 58 HA PHE 58 4.819 5.751 0.868 448 HB2 PHE 58 2HB PHE 58 6.299 6.794 2.532 449 HB3 PHE 58 1HB PHE 58 5.080 5.787 3.302 450 HD1 PHE 58 1HD PHE 58 5.717 3.620 4.295 451 HD2 PHE 58 2HD PHE 58 8.616 6.307 2.724 452 HE1 PHE 58 1HE PHE 58 7.484 2.423 5.518 453 HE2 PHE 58 2HE PHE 58 10.389 5.114 3.941 454 HZ PHE 58 HZ PHE 58 9.824 3.167 5.337 455 H VAL 59 HN VAL 59 6.366 7.056 -0.152 456 HA VAL 59 HA VAL 59 8.848 5.688 -0.969 457 HB VAL 59 HB VAL 59 7.374 7.692 -2.672 458 HG11 VAL 59 1HG1 VAL 59 8.826 6.870 -4.454 459 HG12 VAL 59 2HG1 VAL 59 9.607 5.779 -3.308 460 HG13 VAL 59 3HG1 VAL 59 9.752 7.525 -3.105 461 HG21 VAL 59 3HG2 VAL 59 7.306 4.687 -2.886 462 HG22 VAL 59 1HG2 VAL 59 6.661 5.808 -4.084 463 HG23 VAL 59 2HG2 VAL 59 5.953 5.740 -2.470 464 H ASP 60 HN ASP 60 10.669 6.852 -0.708 465 HA ASP 60 HA ASP 60 10.362 9.515 0.485 466 HB2 ASP 60 2HB ASP 60 11.515 8.006 1.968 467 HB3 ASP 60 1HB ASP 60 12.614 7.507 0.685 468 H LEU 61 HN LEU 61 10.568 11.059 -0.948 469 HA LEU 61 HA LEU 61 12.863 10.967 -2.777 470 HB2 LEU 61 2HB LEU 61 10.030 11.747 -3.483 471 HB3 LEU 61 1HB LEU 61 11.418 12.068 -4.505 472 HG LEU 61 HG LEU 61 10.503 9.309 -3.681 473 HD11 LEU 61 1HD1 LEU 61 10.143 10.757 -6.298 474 HD12 LEU 61 2HD1 LEU 61 8.872 10.399 -5.128 475 HD13 LEU 61 3HD1 LEU 61 9.697 9.084 -5.963 476 HD21 LEU 61 3HD2 LEU 61 12.556 10.215 -5.697 477 HD22 LEU 61 1HD2 LEU 61 12.039 8.549 -5.433 478 HD23 LEU 61 2HD2 LEU 61 12.887 9.423 -4.157 479 H THR 62 HN THR 62 12.382 12.190 -0.208 480 HA THR 62 HA THR 62 11.825 14.936 -0.372 481 HB THR 62 HB THR 62 13.765 13.681 1.574 482 HG1 THR 62 1HG THR 62 12.091 12.353 1.896 483 HG21 THR 62 3HG2 THR 62 11.750 15.915 1.866 484 HG22 THR 62 1HG2 THR 62 13.492 16.122 1.683 485 HG23 THR 62 2HG2 THR 62 12.845 15.334 3.121 486 H GLU 63 HN GLU 63 14.601 13.061 -1.208 487 HA GLU 63 HA GLU 63 16.362 15.383 -1.393 488 HB2 GLU 63 2HB GLU 63 16.875 12.464 -1.958 489 HB3 GLU 63 1HB GLU 63 18.089 13.721 -1.946 490 HG2 GLU 63 2HG GLU 63 17.839 14.036 0.364 491 HG3 GLU 63 1HG GLU 63 16.414 13.015 0.407 492 H ALA 64 HN ALA 64 13.989 14.255 -3.266 493 HA ALA 64 HA ALA 64 15.483 14.365 -5.790 494 HB1 ALA 64 1HB ALA 64 14.038 12.409 -5.452 495 HB2 ALA 64 2HB ALA 64 13.519 13.379 -6.830 496 HB3 ALA 64 3HB ALA 64 12.641 13.474 -5.304 497 H GLY 65 HN GLY 65 15.056 15.858 -7.355 498 HA2 GLY 65 2HA GLY 65 13.619 18.227 -6.418 499 HA3 GLY 65 1HA GLY 65 14.787 18.176 -7.728 500 H GLU 66 HN GLU 66 13.852 18.734 -9.556 501 HA GLU 66 HA GLU 66 10.993 18.448 -9.875 502 HB2 GLU 66 2HB GLU 66 13.104 19.678 -11.639 503 HB3 GLU 66 1HB GLU 66 11.377 19.740 -11.955 504 HG2 GLU 66 2HG GLU 66 10.984 21.077 -10.043 505 HG3 GLU 66 1HG GLU 66 12.627 20.826 -9.450 506 H GLY 67 HN GLY 67 9.989 17.515 -11.690 507 HA2 GLY 67 2HA GLY 67 9.966 16.170 -13.650 508 HA3 GLY 67 1HA GLY 67 11.574 15.593 -13.236 509 H SER 68 HN SER 68 9.653 13.782 -13.936 510 HA SER 68 HA SER 68 8.510 12.673 -11.525 511 HB2 SER 68 2HB SER 68 7.336 12.423 -13.659 512 HB3 SER 68 1HB SER 68 8.698 11.521 -14.318 513 HG SER 68 HG SER 68 7.184 10.063 -13.606 514 H HIS 69 HN HIS 69 9.204 10.870 -10.467 515 HA HIS 69 HA HIS 69 11.840 9.820 -11.249 516 HB2 HIS 69 2HB HIS 69 10.956 10.448 -8.418 517 HB3 HIS 69 1HB HIS 69 12.491 9.721 -8.880 518 HD1 HIS 69 1HD HIS 69 10.762 12.975 -8.545 519 HD2 HIS 69 2HD HIS 69 14.317 11.534 -10.152 520 HE1 HIS 69 1HE HIS 69 12.193 15.001 -8.942 521 HE2 HIS 69 2HE HIS 69 14.330 14.119 -9.946 522 H THR 70 HN THR 70 11.779 7.699 -11.530 523 HA THR 70 HA THR 70 9.560 6.211 -10.306 524 HB THR 70 HB THR 70 11.083 5.403 -12.788 525 HG1 THR 70 1HG THR 70 9.060 6.265 -13.817 526 HG21 THR 70 3HG2 THR 70 9.812 3.631 -11.678 527 HG22 THR 70 1HG2 THR 70 9.076 4.058 -13.221 528 HG23 THR 70 2HG2 THR 70 8.363 4.634 -11.713 529 H VAL 71 HN VAL 71 10.159 4.927 -8.712 530 HA VAL 71 HA VAL 71 12.658 3.405 -8.918 531 HB VAL 71 HB VAL 71 13.123 3.814 -6.491 532 HG11 VAL 71 1HG1 VAL 71 13.167 6.267 -8.245 533 HG12 VAL 71 2HG1 VAL 71 14.396 5.005 -8.186 534 HG13 VAL 71 3HG1 VAL 71 14.123 6.035 -6.782 535 HG21 VAL 71 3HG2 VAL 71 12.104 5.790 -5.417 536 HG22 VAL 71 1HG2 VAL 71 10.918 4.534 -5.777 537 HG23 VAL 71 2HG2 VAL 71 11.027 5.964 -6.802 538 H ASP 72 HN ASP 72 12.686 1.612 -7.224 539 HA ASP 72 HA ASP 72 10.052 0.428 -7.111 540 HB2 ASP 72 2HB ASP 72 11.128 -1.569 -6.306 541 HB3 ASP 72 1HB ASP 72 12.058 -0.937 -7.657 542 H VAL 73 HN VAL 73 8.845 0.061 -5.304 543 HA VAL 73 HA VAL 73 9.322 2.060 -3.260 544 HB VAL 73 HB VAL 73 6.900 0.303 -3.659 545 HG11 VAL 73 1HG1 VAL 73 7.265 2.845 -2.081 546 HG12 VAL 73 2HG1 VAL 73 7.035 1.227 -1.412 547 HG13 VAL 73 3HG1 VAL 73 5.738 1.999 -2.328 548 HG21 VAL 73 3HG2 VAL 73 5.902 2.269 -4.747 549 HG22 VAL 73 1HG2 VAL 73 7.298 1.654 -5.631 550 HG23 VAL 73 2HG2 VAL 73 7.454 3.103 -4.635 551 H GLU 74 HN GLU 74 10.034 1.690 -1.283 552 HA GLU 74 HA GLU 74 10.189 -1.019 -0.239 553 HB2 GLU 74 2HB GLU 74 12.124 0.443 0.058 554 HB3 GLU 74 1HB GLU 74 11.132 1.630 0.891 555 HG2 GLU 74 2HG GLU 74 10.828 0.167 2.755 556 HG3 GLU 74 1HG GLU 74 11.590 -1.169 1.898 557 H HIS 75 HN HIS 75 9.257 -1.591 1.835 558 HA HIS 75 HA HIS 75 6.898 0.024 2.512 559 HB2 HIS 75 2HB HIS 75 5.668 -2.270 2.681 560 HB3 HIS 75 1HB HIS 75 5.847 -1.496 1.111 561 HD1 HIS 75 1HD HIS 75 7.353 -2.643 -0.614 562 HD2 HIS 75 2HD HIS 75 7.201 -4.622 3.038 563 HE1 HIS 75 1HE HIS 75 8.390 -4.889 -1.025 564 HE2 HIS 75 2HE HIS 75 8.508 -5.972 1.245 565 H ARG 76 HN ARG 76 6.028 -0.297 4.589 566 HA ARG 76 HA ARG 76 7.672 -1.877 6.440 567 HB2 ARG 76 2HB ARG 76 8.420 0.535 6.386 568 HB3 ARG 76 1HB ARG 76 6.829 0.977 6.982 569 HG2 ARG 76 2HG ARG 76 8.456 0.929 8.784 570 HG3 ARG 76 1HG ARG 76 7.223 -0.312 9.020 571 HD2 ARG 76 2HD ARG 76 9.518 -1.110 9.507 572 HD3 ARG 76 1HD ARG 76 8.722 -2.023 8.227 573 HE ARG 76 HE ARG 76 10.348 0.142 7.247 574 HH11 ARG 76 1HH1 ARG 76 10.438 -3.176 8.377 575 HH12 ARG 76 2HH1 ARG 76 11.799 -3.609 7.386 576 HH21 ARG 76 1HH2 ARG 76 12.129 -0.413 5.956 577 HH22 ARG 76 2HH2 ARG 76 12.774 -2.026 6.009 578 H GLY 77 HN GLY 77 6.580 -2.366 8.458 579 HA2 GLY 77 2HA GLY 77 4.461 -2.037 9.737 580 HA3 GLY 77 1HA GLY 77 3.649 -2.216 8.188 581 H PHE 78 HN PHE 78 3.904 -4.275 7.069 582 HA PHE 78 HA PHE 78 3.734 -6.489 8.898 583 HB2 PHE 78 2HB PHE 78 3.391 -7.810 6.748 584 HB3 PHE 78 1HB PHE 78 2.196 -6.567 7.094 585 HD1 PHE 78 1HD PHE 78 2.067 -4.558 5.755 586 HD2 PHE 78 2HD PHE 78 4.925 -7.586 4.896 587 HE1 PHE 78 1HE PHE 78 2.450 -3.556 3.546 588 HE2 PHE 78 2HE PHE 78 5.317 -6.585 2.680 589 HZ PHE 78 HZ PHE 78 4.078 -4.569 2.006 590 HA PRO 79 HA PRO 79 7.979 -7.706 8.505 591 HB2 PRO 79 2HB PRO 79 7.827 -10.196 9.512 592 HB3 PRO 79 1HB PRO 79 7.612 -8.766 10.527 593 HG2 PRO 79 2HG PRO 79 5.552 -10.588 9.356 594 HG3 PRO 79 1HG PRO 79 5.617 -9.860 10.972 595 HD2 PRO 79 2HD PRO 79 4.086 -8.892 8.909 596 HD3 PRO 79 1HD PRO 79 4.681 -7.902 10.256 597 H GLY 80 HN GLY 80 9.357 -8.975 7.234 598 HA2 GLY 80 2HA GLY 80 8.142 -9.988 4.809 599 HA3 GLY 80 1HA GLY 80 9.862 -9.834 5.137 600 H ASP 81 HN ASP 81 7.426 -11.566 7.013 601 HA ASP 81 HA ASP 81 9.038 -13.976 6.921 602 HB2 ASP 81 2HB ASP 81 7.967 -13.282 9.036 603 HB3 ASP 81 1HB ASP 81 6.391 -13.446 8.276 604 H LEU 82 HN LEU 82 6.096 -12.698 5.624 605 HA LEU 82 HA LEU 82 5.343 -15.244 4.414 606 HB2 LEU 82 2HB LEU 82 3.944 -12.567 4.416 607 HB3 LEU 82 1HB LEU 82 3.290 -14.059 3.771 608 HG LEU 82 HG LEU 82 4.000 -13.673 6.678 609 HD11 LEU 82 1HD1 LEU 82 1.601 -13.422 7.056 610 HD12 LEU 82 2HD1 LEU 82 1.321 -13.460 5.315 611 HD13 LEU 82 3HD1 LEU 82 2.227 -12.127 6.032 612 HD21 LEU 82 3HD2 LEU 82 3.981 -15.993 5.873 613 HD22 LEU 82 1HD2 LEU 82 2.345 -15.760 5.262 614 HD23 LEU 82 2HD2 LEU 82 2.659 -15.676 6.995 615 H ALA 83 HN ALA 83 4.352 -14.860 2.091 616 HA ALA 83 HA ALA 83 6.450 -13.787 0.419 617 HB1 ALA 83 1HB ALA 83 3.785 -15.005 -0.298 618 HB2 ALA 83 2HB ALA 83 5.337 -15.842 -0.248 619 HB3 ALA 83 3HB ALA 83 5.055 -14.577 -1.443 620 H VAL 84 HN VAL 84 6.571 -11.697 0.062 621 HA VAL 84 HA VAL 84 4.183 -10.050 0.455 622 HB VAL 84 HB VAL 84 7.104 -9.276 0.370 623 HG11 VAL 84 1HG1 VAL 84 4.667 -7.595 0.933 624 HG12 VAL 84 2HG1 VAL 84 5.718 -7.471 -0.476 625 HG13 VAL 84 3HG1 VAL 84 6.339 -7.066 1.123 626 HG21 VAL 84 3HG2 VAL 84 5.165 -9.388 2.680 627 HG22 VAL 84 1HG2 VAL 84 6.844 -8.852 2.757 628 HG23 VAL 84 2HG2 VAL 84 6.471 -10.532 2.374 629 H THR 85 HN THR 85 3.100 -9.500 -1.331 630 HA THR 85 HA THR 85 4.710 -8.769 -3.682 631 HB THR 85 HB THR 85 1.812 -9.536 -3.797 632 HG1 THR 85 1HG THR 85 3.172 -11.306 -3.028 633 HG21 THR 85 3HG2 THR 85 2.355 -9.923 -6.180 634 HG22 THR 85 1HG2 THR 85 3.997 -9.350 -5.869 635 HG23 THR 85 2HG2 THR 85 2.628 -8.254 -5.679 636 H VAL 86 HN VAL 86 4.640 -6.792 -4.270 637 HA VAL 86 HA VAL 86 2.352 -5.053 -3.632 638 HB VAL 86 HB VAL 86 4.681 -3.489 -4.061 639 HG11 VAL 86 1HG1 VAL 86 2.765 -2.746 -2.782 640 HG12 VAL 86 2HG1 VAL 86 4.216 -2.632 -1.787 641 HG13 VAL 86 3HG1 VAL 86 3.079 -3.958 -1.541 642 HG21 VAL 86 3HG2 VAL 86 5.139 -5.638 -2.003 643 HG22 VAL 86 1HG2 VAL 86 6.057 -4.130 -2.078 644 HG23 VAL 86 2HG2 VAL 86 6.109 -5.263 -3.431 645 H GLU 87 HN GLU 87 1.474 -4.594 -5.780 646 HA GLU 87 HA GLU 87 3.736 -4.140 -7.594 647 HB2 GLU 87 2HB GLU 87 1.156 -5.489 -8.292 648 HB3 GLU 87 1HB GLU 87 2.379 -5.013 -9.461 649 HG2 GLU 87 2HG GLU 87 4.000 -6.442 -8.149 650 HG3 GLU 87 1HG GLU 87 2.601 -7.074 -7.287 651 HA PRO 88 HA PRO 88 3.401 -1.647 -9.889 652 HB2 PRO 88 2HB PRO 88 4.411 0.701 -8.854 653 HB3 PRO 88 1HB PRO 88 2.758 0.521 -9.432 654 HG2 PRO 88 2HG PRO 88 3.612 1.005 -6.749 655 HG3 PRO 88 1HG PRO 88 1.956 0.710 -7.308 656 HD2 PRO 88 2HD PRO 88 3.934 -1.208 -6.140 657 HD3 PRO 88 1HD PRO 88 2.156 -1.201 -6.021 658 H ARG 89 HN ARG 89 5.518 -2.292 -10.400 659 HA ARG 89 HA ARG 89 7.025 -3.177 -8.045 660 HB2 ARG 89 2HB ARG 89 7.482 -3.740 -10.988 661 HB3 ARG 89 1HB ARG 89 8.441 -4.413 -9.672 662 HG2 ARG 89 2HG ARG 89 6.123 -5.179 -8.771 663 HG3 ARG 89 1HG ARG 89 5.632 -4.986 -10.452 664 HD2 ARG 89 2HD ARG 89 7.385 -6.490 -11.160 665 HD3 ARG 89 1HD ARG 89 7.945 -6.659 -9.502 666 HE ARG 89 HE ARG 89 5.208 -7.467 -10.231 667 HH11 ARG 89 1HH1 ARG 89 8.400 -8.262 -9.015 668 HH12 ARG 89 2HH1 ARG 89 7.926 -9.835 -8.443 669 HH21 ARG 89 1HH2 ARG 89 4.589 -9.524 -9.472 670 HH22 ARG 89 2HH2 ARG 89 5.769 -10.553 -8.712 671 H MET 90 HN MET 90 7.082 -0.909 -10.575 672 HA MET 90 HA MET 90 9.127 0.563 -9.097 673 HB2 MET 90 2HB MET 90 9.884 -0.609 -11.372 674 HB3 MET 90 1HB MET 90 9.074 0.779 -12.083 675 HG2 MET 90 2HG MET 90 10.531 2.276 -10.831 676 HG3 MET 90 1HG MET 90 11.332 0.890 -10.100 677 HE1 MET 90 3HE MET 90 12.938 3.196 -11.610 678 HE2 MET 90 1HE MET 90 14.088 2.227 -12.533 679 HE3 MET 90 2HE MET 90 13.699 1.786 -10.868 680 H ALA 91 HN ALA 91 8.296 2.533 -8.606 681 HA ALA 91 HA ALA 91 5.843 3.308 -10.048 682 HB1 ALA 91 1HB ALA 91 5.348 2.384 -7.832 683 HB2 ALA 91 2HB ALA 91 4.915 4.090 -7.942 684 HB3 ALA 91 3HB ALA 91 6.386 3.604 -7.097 685 H ARG 92 HN ARG 92 5.430 5.486 -10.300 686 HA ARG 92 HA ARG 92 7.833 7.153 -10.076 687 HB2 ARG 92 2HB ARG 92 6.983 8.422 -11.959 688 HB3 ARG 92 1HB ARG 92 7.047 6.717 -12.375 689 HG2 ARG 92 2HG ARG 92 4.637 6.535 -11.973 690 HG3 ARG 92 1HG ARG 92 4.583 8.252 -11.578 691 HD2 ARG 92 2HD ARG 92 3.858 7.941 -13.851 692 HD3 ARG 92 1HD ARG 92 5.421 8.758 -13.845 693 HE ARG 92 HE ARG 92 6.440 6.658 -14.492 694 HH11 ARG 92 1HH1 ARG 92 2.950 6.842 -14.744 695 HH12 ARG 92 2HH1 ARG 92 2.843 5.569 -15.921 696 HH21 ARG 92 1HH2 ARG 92 6.307 4.978 -16.017 697 HH22 ARG 92 2HH2 ARG 92 4.754 4.497 -16.640 698 H VAL 93 HN VAL 93 7.798 8.927 -8.907 699 HA VAL 93 HA VAL 93 5.202 10.190 -8.325 700 HB VAL 93 HB VAL 93 7.624 10.171 -6.502 701 HG11 VAL 93 1HG1 VAL 93 6.202 11.354 -4.911 702 HG12 VAL 93 2HG1 VAL 93 4.887 11.366 -6.085 703 HG13 VAL 93 3HG1 VAL 93 6.366 12.271 -6.409 704 HG21 VAL 93 3HG2 VAL 93 6.228 8.874 -4.961 705 HG22 VAL 93 1HG2 VAL 93 6.480 8.019 -6.484 706 HG23 VAL 93 2HG2 VAL 93 4.944 8.828 -6.170 707 H GLN 94 HN GLN 94 5.066 12.160 -9.207 708 HA GLN 94 HA GLN 94 7.533 13.297 -10.299 709 HB2 GLN 94 2HB GLN 94 5.707 12.886 -11.880 710 HB3 GLN 94 1HB GLN 94 4.645 13.918 -10.933 711 HG2 GLN 94 2HG GLN 94 6.087 15.831 -11.405 712 HG3 GLN 94 1HG GLN 94 7.143 14.797 -12.362 713 HE21 GLN 94 1HE2 GLN 94 6.809 16.011 -14.208 714 HE22 GLN 94 2HE2 GLN 94 5.313 15.983 -15.070 715 H LEU 95 HN LEU 95 8.458 14.914 -9.315 716 HA LEU 95 HA LEU 95 6.821 16.684 -7.628 717 HB2 LEU 95 2HB LEU 95 9.738 15.943 -7.339 718 HB3 LEU 95 1HB LEU 95 8.906 17.131 -6.356 719 HG LEU 95 HG LEU 95 8.257 14.181 -6.447 720 HD11 LEU 95 1HD1 LEU 95 10.396 14.606 -5.379 721 HD12 LEU 95 2HD1 LEU 95 9.186 14.148 -4.178 722 HD13 LEU 95 3HD1 LEU 95 9.659 15.838 -4.354 723 HD21 LEU 95 3HD2 LEU 95 6.293 15.559 -5.971 724 HD22 LEU 95 1HD2 LEU 95 7.180 16.384 -4.687 725 HD23 LEU 95 2HD2 LEU 95 6.807 14.667 -4.539 726 H GLU 96 HN GLU 96 6.849 18.774 -8.083 727 HA GLU 96 HA GLU 96 8.978 19.861 -9.770 728 HB2 GLU 96 2HB GLU 96 6.987 19.222 -11.202 729 HB3 GLU 96 1HB GLU 96 6.047 20.404 -10.304 730 HG2 GLU 96 2HG GLU 96 7.488 22.187 -11.092 731 HG3 GLU 96 1HG GLU 96 8.504 21.016 -11.932 732 H GLU 97 HN GLU 97 9.375 22.067 -9.352 733 HA GLU 97 HA GLU 97 8.888 22.856 -6.703 734 HB2 GLU 97 2HB GLU 97 10.788 23.540 -8.305 735 HB3 GLU 97 1HB GLU 97 9.675 24.767 -8.889 736 HG2 GLU 97 2HG GLU 97 10.369 24.510 -5.983 737 HG3 GLU 97 1HG GLU 97 11.363 25.436 -7.104 738 H ARG 98 HN ARG 98 6.818 22.940 -6.210 739 HA ARG 98 HA ARG 98 4.668 23.460 -6.044 740 HB2 ARG 98 2HB ARG 98 5.570 25.600 -5.407 741 HB3 ARG 98 1HB ARG 98 5.589 26.101 -7.085 742 HG2 ARG 98 2HG ARG 98 3.689 27.066 -5.932 743 HG3 ARG 98 1HG ARG 98 3.151 25.927 -7.164 744 HD2 ARG 98 2HD ARG 98 1.835 25.544 -5.212 745 HD3 ARG 98 1HD ARG 98 2.963 24.197 -5.363 746 HE ARG 98 HE ARG 98 3.848 26.370 -3.657 747 HH11 ARG 98 1HH1 ARG 98 2.268 23.224 -3.814 748 HH12 ARG 98 2HH1 ARG 98 2.457 22.921 -2.116 749 HH21 ARG 98 1HH2 ARG 98 4.086 25.951 -1.447 750 HH22 ARG 98 2HH2 ARG 98 3.477 24.464 -0.765 751 H GLN 99 HN GLN 99 3.072 22.807 -7.092 752 HA GLN 99 HA GLN 99 2.645 23.578 -9.882 753 HB2 GLN 99 2HB GLN 99 2.603 20.974 -8.572 754 HB3 GLN 99 1HB GLN 99 1.103 21.330 -9.402 755 HG2 GLN 99 2HG GLN 99 3.807 21.524 -10.685 756 HG3 GLN 99 1HG GLN 99 2.796 20.084 -10.743 757 HE21 GLN 99 1HE2 GLN 99 3.783 21.759 -12.901 758 HE22 GLN 99 2HE2 GLN 99 2.368 22.309 -13.756 759 H THR 100 HN THR 100 0.533 21.907 -7.624 760 HA THR 100 HA THR 100 -0.538 23.979 -6.221 761 HB THR 100 HB THR 100 -1.329 25.040 -8.230 762 HG1 THR 100 1HG THR 100 -3.296 25.484 -7.460 763 HG21 THR 100 3HG2 THR 100 -2.990 24.043 -9.715 764 HG22 THR 100 1HG2 THR 100 -2.921 22.538 -8.795 765 HG23 THR 100 2HG2 THR 100 -1.511 23.087 -9.698 766 H VAL 101 HN VAL 101 -0.201 21.940 -4.981 767 HA VAL 101 HA VAL 101 -2.484 20.161 -5.033 768 HB VAL 101 HB VAL 101 -0.315 20.410 -2.931 769 HG11 VAL 101 1HG1 VAL 101 -2.414 18.269 -3.310 770 HG12 VAL 101 2HG1 VAL 101 -2.388 19.471 -2.019 771 HG13 VAL 101 3HG1 VAL 101 -1.117 18.252 -2.112 772 HG21 VAL 101 3HG2 VAL 101 -0.685 18.419 -5.169 773 HG22 VAL 101 1HG2 VAL 101 0.547 18.326 -3.908 774 HG23 VAL 101 2HG2 VAL 101 0.568 19.657 -5.065 775 H SER 102 HN SER 102 -3.963 21.959 -5.001 776 HA SER 102 HA SER 102 -4.427 23.039 -2.302 777 HB2 SER 102 2HB SER 102 -5.816 24.758 -3.569 778 HB3 SER 102 1HB SER 102 -4.076 24.834 -3.840 779 HG SER 102 HG SER 102 -4.372 24.325 -5.867 780 H VAL 103 HN VAL 103 -5.269 20.536 -4.011 781 HA VAL 103 HA VAL 103 -8.151 20.731 -3.482 782 HB VAL 103 HB VAL 103 -7.709 20.420 -5.846 783 HG11 VAL 103 1HG1 VAL 103 -6.568 18.424 -6.705 784 HG12 VAL 103 2HG1 VAL 103 -6.169 17.954 -5.054 785 HG13 VAL 103 3HG1 VAL 103 -5.496 19.434 -5.736 786 HG21 VAL 103 3HG2 VAL 103 -8.708 17.860 -4.607 787 HG22 VAL 103 1HG2 VAL 103 -8.977 18.373 -6.272 788 HG23 VAL 103 2HG2 VAL 103 -9.674 19.299 -4.940 789 HA PRO 104 HA PRO 104 -7.514 17.542 -0.408 790 HB2 PRO 104 2HB PRO 104 -10.155 16.885 -0.116 791 HB3 PRO 104 1HB PRO 104 -9.397 18.274 0.671 792 HG2 PRO 104 2HG PRO 104 -11.071 18.175 -1.801 793 HG3 PRO 104 1HG PRO 104 -11.072 19.370 -0.492 794 HD2 PRO 104 2HD PRO 104 -9.860 19.814 -2.871 795 HD3 PRO 104 1HD PRO 104 -9.252 20.494 -1.349 796 H VAL 105 HN VAL 105 -7.020 15.462 -0.716 797 HA VAL 105 HA VAL 105 -7.448 14.176 -3.181 798 HB VAL 105 HB VAL 105 -6.554 12.134 -2.076 799 HG11 VAL 105 1HG1 VAL 105 -5.028 14.687 -1.546 800 HG12 VAL 105 2HG1 VAL 105 -5.042 13.769 -3.054 801 HG13 VAL 105 3HG1 VAL 105 -4.332 13.068 -1.602 802 HG21 VAL 105 3HG2 VAL 105 -7.519 12.465 0.148 803 HG22 VAL 105 1HG2 VAL 105 -6.487 13.874 0.395 804 HG23 VAL 105 2HG2 VAL 105 -5.769 12.270 0.243 805 H THR 106 HN THR 106 -8.840 12.566 -3.815 806 HA THR 106 HA THR 106 -11.141 12.189 -2.027 807 HB THR 106 HB THR 106 -11.680 13.384 -4.086 808 HG1 THR 106 1HG THR 106 -12.793 10.766 -3.903 809 HG21 THR 106 3HG2 THR 106 -11.638 12.258 -6.269 810 HG22 THR 106 1HG2 THR 106 -10.805 10.887 -5.535 811 HG23 THR 106 2HG2 THR 106 -10.021 12.465 -5.599 812 H VAL 107 HN VAL 107 -11.060 10.352 -1.026 813 HA VAL 107 HA VAL 107 -9.650 8.105 -2.301 814 HB VAL 107 HB VAL 107 -10.154 8.533 0.646 815 HG11 VAL 107 1HG1 VAL 107 -8.488 6.747 0.935 816 HG12 VAL 107 2HG1 VAL 107 -8.433 6.533 -0.817 817 HG13 VAL 107 3HG1 VAL 107 -9.921 6.194 0.071 818 HG21 VAL 107 3HG2 VAL 107 -8.644 10.236 -0.224 819 HG22 VAL 107 1HG2 VAL 107 -7.636 8.990 -0.957 820 HG23 VAL 107 2HG2 VAL 107 -7.772 9.097 0.798 821 H GLU 108 HN GLU 108 -11.290 7.118 -3.384 822 HA GLU 108 HA GLU 108 -13.547 6.117 -1.804 823 HB2 GLU 108 2HB GLU 108 -13.071 6.216 -4.788 824 HB3 GLU 108 1HB GLU 108 -14.394 5.321 -4.064 825 HG2 GLU 108 2HG GLU 108 -15.257 7.399 -4.804 826 HG3 GLU 108 1HG GLU 108 -15.189 7.448 -3.043 827 H MET 109 HN MET 109 -13.781 3.968 -1.367 828 HA MET 109 HA MET 109 -11.429 2.339 -1.759 829 HB2 MET 109 2HB MET 109 -12.570 2.292 0.402 830 HB3 MET 109 1HB MET 109 -14.041 1.717 -0.371 831 HG2 MET 109 2HG MET 109 -12.873 -0.327 -1.049 832 HG3 MET 109 1HG MET 109 -11.419 0.244 -0.235 833 HE1 MET 109 3HE MET 109 -12.679 -2.702 2.042 834 HE2 MET 109 1HE MET 109 -11.323 -2.064 1.112 835 HE3 MET 109 2HE MET 109 -12.787 -2.597 0.286 836 H ILE 110 HN ILE 110 -11.288 1.790 -3.879 837 HA ILE 110 HA ILE 110 -13.444 0.510 -5.268 838 HB ILE 110 HB ILE 110 -11.603 -0.122 -6.917 839 HG12 ILE 110 2HG1 ILE 110 -9.989 1.738 -5.147 840 HG13 ILE 110 1HG1 ILE 110 -9.711 0.009 -5.338 841 HG21 ILE 110 1HG2 ILE 110 -11.454 2.158 -7.808 842 HG22 ILE 110 2HG2 ILE 110 -12.041 2.789 -6.270 843 HG23 ILE 110 3HG2 ILE 110 -13.085 1.768 -7.261 844 HD11 ILE 110 3HD1 ILE 110 -8.131 1.311 -6.641 845 HD12 ILE 110 1HD1 ILE 110 -9.459 2.086 -7.506 846 HD13 ILE 110 2HD1 ILE 110 -9.178 0.356 -7.689 847 H ASN 111 HN ASN 111 -14.154 -1.394 -4.569 848 HA ASN 111 HA ASN 111 -12.459 -3.152 -3.052 849 HB2 ASN 111 2HB ASN 111 -14.845 -2.818 -2.478 850 HB3 ASN 111 1HB ASN 111 -15.304 -3.575 -3.999 851 HD21 ASN 111 1HD2 ASN 111 -16.431 -5.215 -2.948 852 HD22 ASN 111 2HD2 ASN 111 -15.621 -6.495 -2.107 853 H LEU 112 HN LEU 112 -10.885 -3.805 -4.504 854 HA LEU 112 HA LEU 112 -11.787 -5.506 -6.723 855 HB2 LEU 112 2HB LEU 112 -9.095 -4.238 -6.208 856 HB3 LEU 112 1HB LEU 112 -9.473 -5.271 -7.573 857 HG LEU 112 HG LEU 112 -10.742 -2.586 -7.014 858 HD11 LEU 112 1HD1 LEU 112 -8.413 -2.358 -7.651 859 HD12 LEU 112 2HD1 LEU 112 -9.466 -1.839 -8.969 860 HD13 LEU 112 3HD1 LEU 112 -8.673 -3.410 -9.043 861 HD21 LEU 112 3HD2 LEU 112 -12.260 -4.080 -8.177 862 HD22 LEU 112 1HD2 LEU 112 -11.009 -4.456 -9.365 863 HD23 LEU 112 2HD2 LEU 112 -11.675 -2.826 -9.270 864 H GLU 113 HN GLU 113 -11.980 -7.537 -6.048 865 HA GLU 113 HA GLU 113 -10.347 -8.652 -3.968 866 HB2 GLU 113 2HB GLU 113 -12.715 -9.317 -4.342 867 HB3 GLU 113 1HB GLU 113 -12.245 -10.032 -5.879 868 HG2 GLU 113 2HG GLU 113 -10.836 -11.636 -4.730 869 HG3 GLU 113 1HG GLU 113 -11.222 -10.885 -3.181 870 H HIS 114 HN HIS 114 -8.485 -9.772 -4.181 871 HA HIS 114 HA HIS 114 -7.596 -10.351 -6.925 872 HB2 HIS 114 2HB HIS 114 -5.966 -9.264 -4.626 873 HB3 HIS 114 1HB HIS 114 -5.272 -9.845 -6.133 874 HD1 HIS 114 1HD HIS 114 -6.442 -8.533 -8.332 875 HD2 HIS 114 2HD HIS 114 -6.319 -6.595 -4.653 876 HE1 HIS 114 1HE HIS 114 -6.714 -6.084 -8.843 877 HE2 HIS 114 2HE HIS 114 -6.376 -4.927 -6.631 878 H HIS 115 HN HIS 115 -7.362 -12.449 -7.249 879 HA HIS 115 HA HIS 115 -6.333 -14.095 -5.039 880 HB2 HIS 115 2HB HIS 115 -8.393 -14.972 -6.033 881 HB3 HIS 115 1HB HIS 115 -7.653 -14.955 -7.629 882 HD1 HIS 115 1HD HIS 115 -7.324 -17.331 -8.262 883 HD2 HIS 115 2HD HIS 115 -6.280 -16.613 -4.296 884 HE1 HIS 115 1HE HIS 115 -6.340 -19.492 -7.409 885 HE2 HIS 115 2HE HIS 115 -5.789 -19.062 -4.984 886 H HIS 116 HN HIS 116 -4.196 -13.634 -5.125 887 HA HIS 116 HA HIS 116 -2.695 -13.542 -7.554 888 HB2 HIS 116 2HB HIS 116 -2.261 -12.562 -5.083 889 HB3 HIS 116 1HB HIS 116 -1.323 -14.045 -4.959 890 HD1 HIS 116 1HD HIS 116 -1.125 -10.611 -6.105 891 HD2 HIS 116 2HD HIS 116 0.756 -14.209 -7.047 892 HE1 HIS 116 1HE HIS 116 0.928 -9.988 -7.424 893 HE2 HIS 116 2HE HIS 116 2.073 -12.172 -7.957 894 H HIS 117 HN HIS 117 -1.068 -15.051 -8.227 895 HA HIS 117 HA HIS 117 0.017 -17.035 -8.463 896 HB2 HIS 117 2HB HIS 117 -0.167 -17.012 -5.849 897 HB3 HIS 117 1HB HIS 117 -1.401 -18.235 -6.108 898 HD1 HIS 117 1HD HIS 117 -0.584 -20.589 -6.343 899 HD2 HIS 117 2HD HIS 117 2.444 -17.794 -6.879 900 HE1 HIS 117 1HE HIS 117 1.548 -21.913 -6.437 901 HE2 HIS 117 2HE HIS 117 3.376 -20.206 -6.733 902 H HIS 118 HN HIS 118 -0.828 -17.796 -10.318 903 HA HIS 118 HA HIS 118 -3.473 -19.086 -10.237 904 HB2 HIS 118 2HB HIS 118 -3.102 -17.242 -11.882 905 HB3 HIS 118 1HB HIS 118 -1.863 -18.225 -12.652 906 HD1 HIS 118 1HD HIS 118 -2.725 -19.288 -14.702 907 HD2 HIS 118 2HD HIS 118 -5.681 -18.923 -11.799 908 HE1 HIS 118 1HE HIS 118 -4.803 -20.277 -15.721 909 HE2 HIS 118 2HE HIS 118 -6.619 -19.877 -14.014 910 H HIS 119 HN HIS 119 -0.128 -19.708 -10.536 911 HA HIS 119 HA HIS 119 -0.726 -22.533 -11.124 912 HB2 HIS 119 2HB HIS 119 1.310 -20.745 -12.247 913 HB3 HIS 119 1HB HIS 119 1.973 -22.252 -11.629 914 HD1 HIS 119 1HD HIS 119 2.162 -21.784 -14.585 915 HD2 HIS 119 2HD HIS 119 -1.097 -23.652 -12.793 916 HE1 HIS 119 1HE HIS 119 1.096 -23.173 -16.390 917 HE2 HIS 119 2HE HIS 119 -0.693 -24.499 -15.209 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -11.962 -33.869 0.025 2 H2 MET 1 H2 MET 1 -11.433 -32.956 -1.297 3 H3 MET 1 H3 MET 1 -13.066 -32.929 -0.858 4 HA MET 1 HA MET 1 -12.052 -30.916 -0.140 5 HB2 MET 1 2HB MET 1 -12.694 -32.897 2.039 6 HB3 MET 1 1HB MET 1 -12.298 -31.221 2.399 7 HG2 MET 1 2HG MET 1 -14.540 -32.105 0.602 8 HG3 MET 1 1HG MET 1 -14.718 -31.664 2.300 9 HE1 MET 1 2HE MET 1 -16.608 -29.903 1.571 10 HE2 MET 1 3HE MET 1 -16.370 -30.356 -0.117 11 HE3 MET 1 1HE MET 1 -16.348 -28.657 0.350 12 HA PRO 2 HA PRO 2 -7.661 -31.713 0.707 13 HB2 PRO 2 2HB PRO 2 -7.145 -29.254 -0.706 14 HB3 PRO 2 1HB PRO 2 -6.736 -30.898 -1.193 15 HG2 PRO 2 2HG PRO 2 -8.586 -29.331 -2.480 16 HG3 PRO 2 1HG PRO 2 -8.583 -31.103 -2.512 17 HD2 PRO 2 2HD PRO 2 -10.231 -29.235 -0.849 18 HD3 PRO 2 1HD PRO 2 -10.705 -30.751 -1.649 19 H THR 3 HN THR 3 -6.700 -30.955 2.525 20 HA THR 3 HA THR 3 -7.761 -28.695 3.907 21 HB THR 3 HB THR 3 -6.751 -30.594 5.125 22 HG1 THR 3 1HG THR 3 -6.019 -29.288 6.697 23 HG21 THR 3 3HG2 THR 3 -4.143 -29.569 3.997 24 HG22 THR 3 1HG2 THR 3 -4.907 -31.114 3.620 25 HG23 THR 3 2HG2 THR 3 -4.299 -30.803 5.247 26 H PHE 4 HN PHE 4 -5.927 -27.084 4.776 27 HA PHE 4 HA PHE 4 -5.271 -25.620 2.401 28 HB2 PHE 4 2HB PHE 4 -4.590 -23.854 4.040 29 HB3 PHE 4 1HB PHE 4 -6.263 -24.360 4.160 30 HD1 PHE 4 1HD PHE 4 -6.979 -25.780 6.061 31 HD2 PHE 4 2HD PHE 4 -3.058 -24.144 5.833 32 HE1 PHE 4 1HE PHE 4 -6.655 -26.219 8.462 33 HE2 PHE 4 2HE PHE 4 -2.729 -24.586 8.228 34 HZ PHE 4 HZ PHE 4 -4.526 -25.626 9.547 35 H ASP 5 HN ASP 5 -3.383 -25.404 1.499 36 HA ASP 5 HA ASP 5 -0.969 -26.220 2.952 37 HB2 ASP 5 2HB ASP 5 -1.337 -27.744 1.064 38 HB3 ASP 5 1HB ASP 5 -1.491 -26.370 -0.030 39 H HIS 6 HN HIS 6 -0.637 -24.273 3.759 40 HA HIS 6 HA HIS 6 -0.152 -22.108 4.021 41 HB2 HIS 6 2HB HIS 6 1.240 -20.950 2.539 42 HB3 HIS 6 1HB HIS 6 1.662 -22.632 2.286 43 HD1 HIS 6 1HD HIS 6 2.053 -23.132 -0.090 44 HD2 HIS 6 2HD HIS 6 -0.811 -20.147 0.376 45 HE1 HIS 6 1HE HIS 6 1.407 -22.434 -2.420 46 HE2 HIS 6 2HE HIS 6 -0.452 -20.759 -2.111 47 H GLY 7 HN GLY 7 -0.905 -19.923 3.541 48 HA2 GLY 7 2HA GLY 7 -3.499 -20.037 2.134 49 HA3 GLY 7 1HA GLY 7 -3.288 -19.199 3.667 50 H ASN 8 HN ASN 8 -4.297 -17.958 1.410 51 HA ASN 8 HA ASN 8 -2.120 -16.050 0.866 52 HB2 ASN 8 2HB ASN 8 -4.509 -16.646 -0.877 53 HB3 ASN 8 1HB ASN 8 -3.291 -15.429 -1.205 54 HD21 ASN 8 1HD2 ASN 8 -1.269 -16.045 -1.918 55 HD22 ASN 8 2HD2 ASN 8 -0.923 -17.641 -2.499 56 H LEU 9 HN LEU 9 -2.643 -13.878 0.948 57 HA LEU 9 HA LEU 9 -5.288 -13.102 1.848 58 HB2 LEU 9 2HB LEU 9 -3.831 -13.731 3.841 59 HB3 LEU 9 1HB LEU 9 -2.841 -12.348 3.434 60 HG LEU 9 HG LEU 9 -4.536 -12.050 5.272 61 HD11 LEU 9 1HD1 LEU 9 -3.442 -10.151 4.236 62 HD12 LEU 9 2HD1 LEU 9 -5.125 -9.778 4.613 63 HD13 LEU 9 3HD1 LEU 9 -4.655 -10.144 2.955 64 HD21 LEU 9 3HD2 LEU 9 -6.455 -11.987 2.959 65 HD22 LEU 9 1HD2 LEU 9 -6.829 -11.546 4.627 66 HD23 LEU 9 2HD2 LEU 9 -6.400 -13.210 4.229 67 H SER 10 HN SER 10 -5.836 -11.312 0.853 68 HA SER 10 HA SER 10 -3.761 -9.728 -0.457 69 HB2 SER 10 2HB SER 10 -6.766 -9.718 -0.846 70 HB3 SER 10 1HB SER 10 -5.602 -8.802 -1.800 71 HG SER 10 HG SER 10 -4.634 -11.044 -2.137 72 H LEU 11 HN LEU 11 -3.060 -7.999 0.611 73 HA LEU 11 HA LEU 11 -4.511 -6.796 2.755 74 HB2 LEU 11 2HB LEU 11 -2.112 -5.770 1.221 75 HB3 LEU 11 1HB LEU 11 -2.720 -5.094 2.719 76 HG LEU 11 HG LEU 11 -1.590 -7.877 2.403 77 HD11 LEU 11 1HD1 LEU 11 0.125 -6.166 2.164 78 HD12 LEU 11 2HD1 LEU 11 0.298 -7.016 3.699 79 HD13 LEU 11 3HD1 LEU 11 -0.411 -5.403 3.659 80 HD21 LEU 11 3HD2 LEU 11 -3.295 -7.710 4.152 81 HD22 LEU 11 1HD2 LEU 11 -2.421 -6.359 4.870 82 HD23 LEU 11 2HD2 LEU 11 -1.686 -7.963 4.832 83 H GLY 12 HN GLY 12 -4.187 -6.271 -0.652 84 HA2 GLY 12 2HA GLY 12 -5.984 -5.316 -1.886 85 HA3 GLY 12 1HA GLY 12 -6.380 -4.332 -0.485 86 H GLU 13 HN GLU 13 -6.333 -2.394 -1.499 87 HA GLU 13 HA GLU 13 -3.829 -1.610 -2.804 88 HB2 GLU 13 2HB GLU 13 -5.293 0.337 -3.639 89 HB3 GLU 13 1HB GLU 13 -5.554 -1.256 -4.335 90 HG2 GLU 13 2HG GLU 13 -7.408 -1.511 -2.586 91 HG3 GLU 13 1HG GLU 13 -7.260 0.234 -2.374 92 H LEU 14 HN LEU 14 -2.490 -0.735 -1.429 93 HA LEU 14 HA LEU 14 -3.519 0.913 0.761 94 HB2 LEU 14 2HB LEU 14 -0.755 -0.205 0.254 95 HB3 LEU 14 1HB LEU 14 -1.196 0.778 1.637 96 HG LEU 14 HG LEU 14 -2.330 -1.945 1.003 97 HD11 LEU 14 1HD1 LEU 14 -0.379 -1.064 3.124 98 HD12 LEU 14 2HD1 LEU 14 0.005 -2.031 1.702 99 HD13 LEU 14 3HD1 LEU 14 -1.056 -2.683 2.949 100 HD21 LEU 14 3HD2 LEU 14 -3.940 -0.524 2.159 101 HD22 LEU 14 1HD2 LEU 14 -2.733 -0.145 3.389 102 HD23 LEU 14 2HD2 LEU 14 -3.339 -1.794 3.226 103 H GLU 15 HN GLU 15 -2.843 3.004 1.099 104 HA GLU 15 HA GLU 15 -2.303 4.522 -1.257 105 HB2 GLU 15 2HB GLU 15 -2.372 5.353 1.648 106 HB3 GLU 15 1HB GLU 15 -2.314 6.459 0.282 107 HG2 GLU 15 2HG GLU 15 -4.478 5.872 -0.421 108 HG3 GLU 15 1HG GLU 15 -4.514 4.456 0.628 109 H LEU 16 HN LEU 16 -0.462 5.621 -1.839 110 HA LEU 16 HA LEU 16 2.024 4.678 -0.697 111 HB2 LEU 16 2HB LEU 16 1.774 4.876 -3.122 112 HB3 LEU 16 1HB LEU 16 1.480 6.596 -2.962 113 HG LEU 16 HG LEU 16 3.796 6.791 -1.977 114 HD11 LEU 16 1HD1 LEU 16 4.045 3.994 -3.065 115 HD12 LEU 16 2HD1 LEU 16 4.080 4.447 -1.360 116 HD13 LEU 16 3HD1 LEU 16 5.365 4.987 -2.443 117 HD21 LEU 16 3HD2 LEU 16 4.893 6.736 -4.149 118 HD22 LEU 16 1HD2 LEU 16 3.274 7.425 -4.280 119 HD23 LEU 16 2HD2 LEU 16 3.572 5.767 -4.802 120 H THR 17 HN THR 17 2.989 5.660 0.941 121 HA THR 17 HA THR 17 2.338 8.414 1.602 122 HB THR 17 HB THR 17 4.246 6.527 3.005 123 HG1 THR 17 1HG THR 17 2.039 6.823 4.404 124 HG21 THR 17 3HG2 THR 17 4.587 8.891 3.559 125 HG22 THR 17 1HG2 THR 17 3.904 8.011 4.929 126 HG23 THR 17 2HG2 THR 17 2.874 9.050 3.944 127 H VAL 18 HN VAL 18 3.467 10.048 0.764 128 HA VAL 18 HA VAL 18 6.166 9.496 -0.265 129 HB VAL 18 HB VAL 18 4.337 11.808 -0.951 130 HG11 VAL 18 1HG1 VAL 18 5.907 12.200 -2.799 131 HG12 VAL 18 2HG1 VAL 18 6.939 10.907 -2.188 132 HG13 VAL 18 3HG1 VAL 18 6.688 12.364 -1.226 133 HG21 VAL 18 3HG2 VAL 18 3.398 9.714 -1.750 134 HG22 VAL 18 1HG2 VAL 18 4.935 9.284 -2.501 135 HG23 VAL 18 2HG2 VAL 18 4.012 10.659 -3.106 136 H LEU 19 HN LEU 19 7.750 10.100 1.032 137 HA LEU 19 HA LEU 19 7.339 12.313 2.901 138 HB2 LEU 19 2HB LEU 19 8.386 10.059 3.536 139 HB3 LEU 19 1HB LEU 19 9.793 10.578 2.630 140 HG LEU 19 HG LEU 19 8.711 12.184 4.944 141 HD11 LEU 19 1HD1 LEU 19 10.806 10.012 5.010 142 HD12 LEU 19 2HD1 LEU 19 9.203 9.930 5.744 143 HD13 LEU 19 3HD1 LEU 19 10.391 11.089 6.345 144 HD21 LEU 19 3HD2 LEU 19 10.239 13.366 3.463 145 HD22 LEU 19 1HD2 LEU 19 11.413 12.055 3.599 146 HD23 LEU 19 2HD2 LEU 19 11.022 13.039 5.012 147 H TYR 20 HN TYR 20 7.882 14.274 2.318 148 HA TYR 20 HA TYR 20 10.297 14.975 0.976 149 HB2 TYR 20 2HB TYR 20 9.079 14.147 -0.982 150 HB3 TYR 20 1HB TYR 20 7.691 15.146 -0.574 151 HD1 TYR 20 2HD TYR 20 11.359 15.601 -1.164 152 HD2 TYR 20 1HD TYR 20 7.417 17.058 -1.815 153 HE1 TYR 20 2HE TYR 20 12.267 17.422 -2.542 154 HE2 TYR 20 1HE TYR 20 8.315 18.882 -3.194 155 HH TYR 20 HH TYR 20 11.526 18.935 -4.303 156 H ASP 21 HN ASP 21 10.585 17.271 1.006 157 HA ASP 21 HA ASP 21 8.743 18.622 2.818 158 HB2 ASP 21 2HB ASP 21 11.563 19.166 1.964 159 HB3 ASP 21 1HB ASP 21 10.590 20.461 2.658 160 H GLU 22 HN GLU 22 7.415 20.183 2.265 161 HA GLU 22 HA GLU 22 6.854 20.588 -0.511 162 HB2 GLU 22 2HB GLU 22 4.990 21.986 0.347 163 HB3 GLU 22 1HB GLU 22 5.045 20.385 1.078 164 HG2 GLU 22 2HG GLU 22 6.096 21.300 3.062 165 HG3 GLU 22 1HG GLU 22 6.122 22.900 2.325 166 H GLU 23 HN GLU 23 9.231 21.930 1.181 167 HA GLU 23 HA GLU 23 8.745 24.718 0.656 168 HB2 GLU 23 2HB GLU 23 11.149 23.259 1.749 169 HB3 GLU 23 1HB GLU 23 10.977 25.007 1.677 170 HG2 GLU 23 2HG GLU 23 9.102 23.186 3.158 171 HG3 GLU 23 1HG GLU 23 10.464 24.026 3.891 172 H ARG 24 HN ARG 24 9.696 22.252 -1.313 173 HA ARG 24 HA ARG 24 11.317 24.076 -2.946 174 HB2 ARG 24 2HB ARG 24 11.530 21.089 -2.646 175 HB3 ARG 24 1HB ARG 24 12.297 21.978 -3.945 176 HG2 ARG 24 2HG ARG 24 12.804 22.489 -1.023 177 HG3 ARG 24 1HG ARG 24 13.798 21.443 -2.036 178 HD2 ARG 24 2HD ARG 24 14.881 23.565 -1.927 179 HD3 ARG 24 1HD ARG 24 14.190 23.412 -3.540 180 HE ARG 24 HE ARG 24 12.525 24.798 -1.618 181 HH11 ARG 24 1HH1 ARG 24 14.995 25.120 -4.086 182 HH12 ARG 24 2HH1 ARG 24 14.622 26.782 -4.420 183 HH21 ARG 24 1HH2 ARG 24 12.043 26.970 -2.042 184 HH22 ARG 24 2HH2 ARG 24 12.938 27.835 -3.252 185 H TYR 25 HN TYR 25 9.806 20.951 -3.753 186 HA TYR 25 HA TYR 25 8.348 22.360 -5.902 187 HB2 TYR 25 2HB TYR 25 9.051 19.420 -5.825 188 HB3 TYR 25 1HB TYR 25 8.412 20.327 -7.189 189 HD1 TYR 25 1HD TYR 25 10.108 22.606 -7.490 190 HD2 TYR 25 2HD TYR 25 11.174 18.675 -6.267 191 HE1 TYR 25 1HE TYR 25 12.390 22.974 -8.317 192 HE2 TYR 25 2HE TYR 25 13.463 19.036 -7.086 193 HH TYR 25 HH TYR 25 14.618 20.461 -8.718 194 H ASP 26 HN ASP 26 6.209 21.437 -6.460 195 HA ASP 26 HA ASP 26 5.002 19.974 -4.210 196 HB2 ASP 26 2HB ASP 26 2.830 20.932 -4.778 197 HB3 ASP 26 1HB ASP 26 3.994 22.207 -4.453 198 H ILE 27 HN ILE 27 3.117 18.571 -4.900 199 HA ILE 27 HA ILE 27 4.262 16.811 -6.913 200 HB ILE 27 HB ILE 27 1.884 16.175 -5.183 201 HG12 ILE 27 2HG1 ILE 27 4.803 15.784 -4.470 202 HG13 ILE 27 1HG1 ILE 27 3.740 16.979 -3.736 203 HG21 ILE 27 1HG2 ILE 27 4.027 14.466 -6.443 204 HG22 ILE 27 2HG2 ILE 27 2.379 14.663 -7.036 205 HG23 ILE 27 3HG2 ILE 27 2.668 13.879 -5.484 206 HD11 ILE 27 3HD1 ILE 27 3.414 13.989 -3.589 207 HD12 ILE 27 1HD1 ILE 27 2.341 15.181 -2.855 208 HD13 ILE 27 2HD1 ILE 27 4.011 15.039 -2.304 209 H VAL 28 HN VAL 28 3.558 16.780 -8.911 210 HA VAL 28 HA VAL 28 0.969 17.893 -9.616 211 HB VAL 28 HB VAL 28 3.042 16.586 -11.391 212 HG11 VAL 28 1HG1 VAL 28 1.871 17.703 -13.223 213 HG12 VAL 28 2HG1 VAL 28 0.667 18.312 -12.087 214 HG13 VAL 28 3HG1 VAL 28 0.808 16.576 -12.375 215 HG21 VAL 28 3HG2 VAL 28 3.934 18.557 -10.282 216 HG22 VAL 28 1HG2 VAL 28 2.540 19.499 -10.811 217 HG23 VAL 28 2HG2 VAL 28 3.677 18.866 -12.001 218 H GLU 29 HN GLU 29 2.636 14.753 -9.937 219 HA GLU 29 HA GLU 29 0.065 13.461 -9.508 220 HB2 GLU 29 2HB GLU 29 0.251 11.922 -11.314 221 HB3 GLU 29 1HB GLU 29 0.460 13.528 -11.995 222 HG2 GLU 29 2HG GLU 29 2.742 13.211 -12.352 223 HG3 GLU 29 1HG GLU 29 2.817 11.841 -11.244 224 H GLN 30 HN GLN 30 0.250 11.298 -8.781 225 HA GLN 30 HA GLN 30 2.833 10.246 -8.073 226 HB2 GLN 30 2HB GLN 30 2.464 10.195 -5.680 227 HB3 GLN 30 1HB GLN 30 2.363 11.858 -6.233 228 HG2 GLN 30 2HG GLN 30 -0.062 10.141 -5.779 229 HG3 GLN 30 1HG GLN 30 0.659 11.134 -4.518 230 HE21 GLN 30 1HE2 GLN 30 -1.996 11.239 -5.748 231 HE22 GLN 30 2HE2 GLN 30 -2.154 12.855 -6.373 232 H THR 31 HN THR 31 2.626 8.071 -7.153 233 HA THR 31 HA THR 31 0.442 6.611 -8.258 234 HB THR 31 HB THR 31 2.524 5.655 -6.276 235 HG1 THR 31 1HG THR 31 2.544 5.486 -9.132 236 HG21 THR 31 3HG2 THR 31 0.629 4.134 -6.487 237 HG22 THR 31 1HG2 THR 31 2.055 3.444 -7.260 238 HG23 THR 31 2HG2 THR 31 0.779 4.163 -8.243 239 H GLU 32 HN GLU 32 -1.518 6.779 -7.400 240 HA GLU 32 HA GLU 32 -2.098 7.712 -4.824 241 HB2 GLU 32 2HB GLU 32 -3.829 6.100 -6.700 242 HB3 GLU 32 1HB GLU 32 -4.408 6.994 -5.301 243 HG2 GLU 32 2HG GLU 32 -2.944 8.296 -7.574 244 HG3 GLU 32 1HG GLU 32 -4.693 8.096 -7.542 245 H THR 33 HN THR 33 -2.606 4.414 -6.100 246 HA THR 33 HA THR 33 -1.978 3.347 -3.448 247 HB THR 33 HB THR 33 -3.939 1.753 -3.674 248 HG1 THR 33 1HG THR 33 -5.538 2.245 -5.119 249 HG21 THR 33 3HG2 THR 33 -5.587 3.347 -2.790 250 HG22 THR 33 1HG2 THR 33 -4.585 4.687 -3.348 251 HG23 THR 33 2HG2 THR 33 -3.992 3.608 -2.084 252 H VAL 34 HN VAL 34 -1.121 1.301 -3.442 253 HA VAL 34 HA VAL 34 -0.929 -0.086 -6.036 254 HB VAL 34 HB VAL 34 1.216 -1.131 -5.082 255 HG11 VAL 34 1HG1 VAL 34 2.597 0.734 -5.908 256 HG12 VAL 34 2HG1 VAL 34 1.161 1.761 -5.920 257 HG13 VAL 34 3HG1 VAL 34 1.249 0.348 -6.975 258 HG21 VAL 34 3HG2 VAL 34 2.483 0.284 -3.542 259 HG22 VAL 34 1HG2 VAL 34 1.006 -0.333 -2.801 260 HG23 VAL 34 2HG2 VAL 34 1.080 1.338 -3.363 261 H GLN 35 HN GLN 35 -0.737 -2.424 -5.862 262 HA GLN 35 HA GLN 35 -2.399 -3.381 -3.643 263 HB2 GLN 35 2HB GLN 35 -3.301 -3.630 -5.934 264 HB3 GLN 35 1HB GLN 35 -1.909 -4.614 -6.359 265 HG2 GLN 35 2HG GLN 35 -2.591 -6.276 -4.691 266 HG3 GLN 35 1HG GLN 35 -3.999 -5.287 -4.300 267 HE21 GLN 35 1HE2 GLN 35 -3.879 -8.010 -5.314 268 HE22 GLN 35 2HE2 GLN 35 -4.768 -8.005 -6.804 269 H VAL 36 HN VAL 36 -1.608 -4.755 -2.210 270 HA VAL 36 HA VAL 36 0.863 -6.217 -2.873 271 HB VAL 36 HB VAL 36 1.539 -4.464 -1.398 272 HG11 VAL 36 1HG1 VAL 36 0.539 -4.086 0.796 273 HG12 VAL 36 2HG1 VAL 36 -0.665 -5.333 0.466 274 HG13 VAL 36 3HG1 VAL 36 -0.640 -3.854 -0.496 275 HG21 VAL 36 3HG2 VAL 36 1.251 -7.028 0.165 276 HG22 VAL 36 1HG2 VAL 36 2.362 -5.712 0.549 277 HG23 VAL 36 2HG2 VAL 36 2.556 -6.623 -0.950 278 H ASP 37 HN ASP 37 0.903 -8.308 -2.401 279 HA ASP 37 HA ASP 37 -1.455 -9.456 -1.049 280 HB2 ASP 37 2HB ASP 37 -1.466 -9.629 -3.571 281 HB3 ASP 37 1HB ASP 37 -0.030 -10.638 -3.439 282 H LEU 38 HN LEU 38 -1.084 -11.203 0.296 283 HA LEU 38 HA LEU 38 1.756 -11.887 0.709 284 HB2 LEU 38 2HB LEU 38 -0.463 -11.785 2.753 285 HB3 LEU 38 1HB LEU 38 1.188 -12.286 3.068 286 HG LEU 38 HG LEU 38 0.334 -9.516 2.206 287 HD11 LEU 38 1HD1 LEU 38 1.274 -10.578 4.868 288 HD12 LEU 38 2HD1 LEU 38 -0.349 -10.004 4.484 289 HD13 LEU 38 3HD1 LEU 38 1.009 -8.877 4.485 290 HD21 LEU 38 3HD2 LEU 38 2.662 -8.898 2.682 291 HD22 LEU 38 1HD2 LEU 38 2.560 -10.083 1.379 292 HD23 LEU 38 2HD2 LEU 38 3.043 -10.591 2.997 293 H GLU 39 HN GLU 39 2.322 -13.992 0.896 294 HA GLU 39 HA GLU 39 0.218 -16.036 0.996 295 HB2 GLU 39 2HB GLU 39 0.774 -15.820 -1.345 296 HB3 GLU 39 1HB GLU 39 2.495 -15.876 -0.988 297 HG2 GLU 39 2HG GLU 39 2.356 -18.180 -0.371 298 HG3 GLU 39 1HG GLU 39 0.593 -18.150 -0.475 299 H GLY 40 HN GLY 40 0.731 -17.751 2.292 300 HA2 GLY 40 2HA GLY 40 3.085 -18.947 2.873 301 HA3 GLY 40 1HA GLY 40 3.141 -17.510 3.885 302 HA PRO 41 HA PRO 41 1.293 -20.857 6.520 303 HB2 PRO 41 2HB PRO 41 2.076 -18.725 8.457 304 HB3 PRO 41 1HB PRO 41 2.260 -20.479 8.581 305 HG2 PRO 41 2HG PRO 41 4.349 -18.942 8.005 306 HG3 PRO 41 1HG PRO 41 4.130 -20.513 7.210 307 HD2 PRO 41 2HD PRO 41 3.689 -17.767 6.138 308 HD3 PRO 41 1HD PRO 41 4.266 -19.226 5.309 309 H ARG 42 HN ARG 42 -0.860 -20.852 6.482 310 HA ARG 42 HA ARG 42 -2.428 -18.539 6.161 311 HB2 ARG 42 2HB ARG 42 -3.064 -20.878 5.490 312 HB3 ARG 42 1HB ARG 42 -3.381 -21.221 7.183 313 HG2 ARG 42 2HG ARG 42 -5.101 -19.473 7.208 314 HG3 ARG 42 1HG ARG 42 -4.798 -19.162 5.498 315 HD2 ARG 42 2HD ARG 42 -5.395 -21.526 5.023 316 HD3 ARG 42 1HD ARG 42 -5.819 -21.723 6.721 317 HE ARG 42 HE ARG 42 -7.223 -19.534 5.569 318 HH11 ARG 42 1HH1 ARG 42 -7.187 -23.022 5.811 319 HH12 ARG 42 2HH1 ARG 42 -8.864 -23.202 5.418 320 HH21 ARG 42 1HH2 ARG 42 -9.444 -19.753 5.082 321 HH22 ARG 42 2HH2 ARG 42 -10.149 -21.344 4.972 322 H GLY 43 HN GLY 43 -1.467 -20.335 9.009 323 HA2 GLY 43 2HA GLY 43 -3.219 -19.273 10.898 324 HA3 GLY 43 1HA GLY 43 -1.584 -19.818 11.240 325 H VAL 44 HN VAL 44 -0.060 -18.024 9.849 326 HA VAL 44 HA VAL 44 0.010 -15.793 11.553 327 HB VAL 44 HB VAL 44 1.238 -16.045 8.795 328 HG11 VAL 44 1HG1 VAL 44 2.848 -14.361 9.606 329 HG12 VAL 44 2HG1 VAL 44 1.898 -14.189 11.080 330 HG13 VAL 44 3HG1 VAL 44 1.200 -13.738 9.525 331 HG21 VAL 44 3HG2 VAL 44 2.388 -16.719 11.501 332 HG22 VAL 44 1HG2 VAL 44 3.280 -16.726 9.978 333 HG23 VAL 44 2HG2 VAL 44 1.955 -17.863 10.229 334 H LEU 45 HN LEU 45 -1.154 -16.173 8.229 335 HA LEU 45 HA LEU 45 -1.918 -13.493 7.828 336 HB2 LEU 45 2HB LEU 45 -2.866 -16.038 6.523 337 HB3 LEU 45 1HB LEU 45 -3.305 -14.433 5.966 338 HG LEU 45 HG LEU 45 -0.486 -15.515 6.095 339 HD11 LEU 45 1HD1 LEU 45 -1.814 -16.623 4.379 340 HD12 LEU 45 2HD1 LEU 45 -0.615 -15.551 3.656 341 HD13 LEU 45 3HD1 LEU 45 -2.307 -15.056 3.735 342 HD21 LEU 45 3HD2 LEU 45 0.097 -13.497 4.839 343 HD22 LEU 45 1HD2 LEU 45 -0.595 -13.094 6.411 344 HD23 LEU 45 2HD2 LEU 45 -1.572 -12.941 4.951 345 H THR 46 HN THR 46 -3.598 -16.216 9.264 346 HA THR 46 HA THR 46 -6.193 -15.088 9.246 347 HB THR 46 HB THR 46 -5.050 -17.086 11.221 348 HG1 THR 46 1HG THR 46 -4.973 -17.682 8.926 349 HG21 THR 46 3HG2 THR 46 -7.136 -16.102 12.005 350 HG22 THR 46 1HG2 THR 46 -7.395 -17.777 11.516 351 HG23 THR 46 2HG2 THR 46 -7.903 -16.459 10.458 352 H VAL 47 HN VAL 47 -3.580 -15.041 11.651 353 HA VAL 47 HA VAL 47 -4.998 -13.434 13.541 354 HB VAL 47 HB VAL 47 -2.013 -13.828 13.219 355 HG11 VAL 47 1HG1 VAL 47 -1.869 -13.186 15.577 356 HG12 VAL 47 2HG1 VAL 47 -3.598 -12.839 15.586 357 HG13 VAL 47 3HG1 VAL 47 -2.511 -11.881 14.578 358 HG21 VAL 47 3HG2 VAL 47 -3.994 -15.316 14.940 359 HG22 VAL 47 1HG2 VAL 47 -2.243 -15.528 14.979 360 HG23 VAL 47 2HG2 VAL 47 -3.152 -15.953 13.527 361 H PHE 48 HN PHE 48 -2.721 -12.801 10.939 362 HA PHE 48 HA PHE 48 -2.304 -10.053 11.390 363 HB2 PHE 48 2HB PHE 48 -0.996 -11.678 9.904 364 HB3 PHE 48 1HB PHE 48 -2.251 -11.420 8.700 365 HD1 PHE 48 1HD PHE 48 0.381 -9.745 10.667 366 HD2 PHE 48 2HD PHE 48 -2.224 -9.528 7.312 367 HE1 PHE 48 1HE PHE 48 1.611 -7.780 9.847 368 HE2 PHE 48 2HE PHE 48 -1.003 -7.560 6.487 369 HZ PHE 48 HZ PHE 48 0.917 -6.683 7.753 370 H ARG 49 HN ARG 49 -4.835 -11.832 9.809 371 HA ARG 49 HA ARG 49 -6.031 -9.891 8.228 372 HB2 ARG 49 2HB ARG 49 -6.417 -12.451 8.519 373 HB3 ARG 49 1HB ARG 49 -7.575 -11.971 9.748 374 HG2 ARG 49 2HG ARG 49 -7.726 -10.844 6.990 375 HG3 ARG 49 1HG ARG 49 -8.369 -12.439 7.365 376 HD2 ARG 49 2HD ARG 49 -9.136 -9.883 8.763 377 HD3 ARG 49 1HD ARG 49 -10.077 -10.661 7.492 378 HE ARG 49 HE ARG 49 -9.641 -12.540 9.520 379 HH11 ARG 49 1HH1 ARG 49 -11.357 -9.521 9.034 380 HH12 ARG 49 2HH1 ARG 49 -12.599 -9.896 10.198 381 HH21 ARG 49 1HH2 ARG 49 -11.270 -13.054 11.012 382 HH22 ARG 49 2HH2 ARG 49 -12.559 -11.929 11.311 383 H PHE 50 HN PHE 50 -6.203 -10.439 11.682 384 HA PHE 50 HA PHE 50 -8.509 -8.806 12.128 385 HB2 PHE 50 2HB PHE 50 -6.440 -10.044 13.925 386 HB3 PHE 50 1HB PHE 50 -7.714 -9.010 14.539 387 HD1 PHE 50 2HD PHE 50 -10.106 -9.712 14.240 388 HD2 PHE 50 1HD PHE 50 -6.825 -12.293 13.406 389 HE1 PHE 50 2HE PHE 50 -11.611 -11.655 14.351 390 HE2 PHE 50 1HE PHE 50 -8.324 -14.238 13.516 391 HZ PHE 50 HZ PHE 50 -10.716 -13.923 13.992 392 H ALA 51 HN ALA 51 -5.123 -8.266 11.881 393 HA ALA 51 HA ALA 51 -5.080 -5.860 13.455 394 HB1 ALA 51 1HB ALA 51 -3.122 -7.315 13.348 395 HB2 ALA 51 2HB ALA 51 -2.747 -5.694 12.766 396 HB3 ALA 51 3HB ALA 51 -2.983 -7.011 11.617 397 H ARG 52 HN ARG 52 -5.796 -3.972 12.771 398 HA ARG 52 HA ARG 52 -6.352 -3.311 10.094 399 HB2 ARG 52 2HB ARG 52 -6.018 -1.669 12.595 400 HB3 ARG 52 1HB ARG 52 -6.470 -0.971 11.056 401 HG2 ARG 52 2HG ARG 52 -8.457 -2.426 11.007 402 HG3 ARG 52 1HG ARG 52 -8.005 -3.039 12.599 403 HD2 ARG 52 2HD ARG 52 -8.173 -0.768 13.511 404 HD3 ARG 52 1HD ARG 52 -8.651 -0.171 11.921 405 HE ARG 52 HE ARG 52 -10.459 -2.138 12.434 406 HH11 ARG 52 1HH1 ARG 52 -9.435 0.745 14.142 407 HH12 ARG 52 2HH1 ARG 52 -10.946 0.956 14.969 408 HH21 ARG 52 1HH2 ARG 52 -12.444 -1.891 13.553 409 HH22 ARG 52 2HH2 ARG 52 -12.648 -0.557 14.654 410 HA PRO 53 HA PRO 53 -2.561 -2.259 8.393 411 HB2 PRO 53 2HB PRO 53 -3.303 0.463 7.641 412 HB3 PRO 53 1HB PRO 53 -2.911 -0.913 6.616 413 HG2 PRO 53 2HG PRO 53 -5.433 0.034 6.844 414 HG3 PRO 53 1HG PRO 53 -5.078 -1.680 6.573 415 HD2 PRO 53 2HD PRO 53 -5.893 -0.286 9.078 416 HD3 PRO 53 1HD PRO 53 -6.311 -1.913 8.503 417 H SER 54 HN SER 54 -0.931 -2.020 9.681 418 HA SER 54 HA SER 54 -0.165 0.676 10.469 419 HB2 SER 54 2HB SER 54 0.396 -1.987 11.761 420 HB3 SER 54 1HB SER 54 1.308 -0.546 12.128 421 HG SER 54 HG SER 54 -0.241 0.047 13.412 422 H TYR 55 HN TYR 55 0.022 -1.539 8.270 423 HA TYR 55 HA TYR 55 2.899 -1.443 7.763 424 HB2 TYR 55 2HB TYR 55 2.069 -3.223 5.960 425 HB3 TYR 55 1HB TYR 55 2.398 -3.684 7.625 426 HD1 TYR 55 1HD TYR 55 0.565 -4.178 9.171 427 HD2 TYR 55 2HD TYR 55 -0.206 -3.217 5.095 428 HE1 TYR 55 1HE TYR 55 -1.717 -5.061 9.403 429 HE2 TYR 55 2HE TYR 55 -2.494 -4.098 5.318 430 HH TYR 55 HH TYR 55 -3.876 -4.896 8.380 431 H GLU 56 HN GLU 56 3.508 0.069 6.380 432 HA GLU 56 HA GLU 56 1.537 0.992 4.408 433 HB2 GLU 56 2HB GLU 56 3.401 2.737 6.024 434 HB3 GLU 56 1HB GLU 56 2.255 3.294 4.809 435 HG2 GLU 56 2HG GLU 56 0.410 2.442 6.175 436 HG3 GLU 56 1HG GLU 56 1.565 1.924 7.397 437 H VAL 57 HN VAL 57 2.330 1.835 2.488 438 HA VAL 57 HA VAL 57 5.075 1.031 1.812 439 HB VAL 57 HB VAL 57 2.834 1.738 -0.097 440 HG11 VAL 57 1HG1 VAL 57 4.170 0.477 -1.717 441 HG12 VAL 57 2HG1 VAL 57 5.394 0.196 -0.479 442 HG13 VAL 57 3HG1 VAL 57 5.070 1.836 -1.043 443 HG21 VAL 57 3HG2 VAL 57 2.480 -0.687 -0.391 444 HG22 VAL 57 1HG2 VAL 57 2.078 -0.142 1.240 445 HG23 VAL 57 2HG2 VAL 57 3.594 -0.993 0.941 446 H PHE 58 HN PHE 58 6.547 2.660 1.449 447 HA PHE 58 HA PHE 58 5.514 5.354 1.007 448 HB2 PHE 58 2HB PHE 58 6.879 6.238 2.905 449 HB3 PHE 58 1HB PHE 58 5.531 5.223 3.404 450 HD1 PHE 58 1HD PHE 58 5.912 3.039 4.379 451 HD2 PHE 58 2HD PHE 58 9.162 5.528 3.223 452 HE1 PHE 58 1HE PHE 58 7.445 1.647 5.705 453 HE2 PHE 58 2HE PHE 58 10.702 4.138 4.545 454 HZ PHE 58 HZ PHE 58 9.844 2.196 5.787 455 H VAL 59 HN VAL 59 6.976 6.849 0.253 456 HA VAL 59 HA VAL 59 9.639 5.817 -0.492 457 HB VAL 59 HB VAL 59 8.101 7.860 -2.086 458 HG11 VAL 59 1HG1 VAL 59 10.524 7.924 -2.330 459 HG12 VAL 59 2HG1 VAL 59 9.747 7.388 -3.821 460 HG13 VAL 59 3HG1 VAL 59 10.530 6.214 -2.764 461 HG21 VAL 59 3HG2 VAL 59 6.863 5.765 -2.191 462 HG22 VAL 59 1HG2 VAL 59 8.334 4.909 -2.657 463 HG23 VAL 59 2HG2 VAL 59 7.634 6.115 -3.737 464 H ASP 60 HN ASP 60 11.310 7.120 0.020 465 HA ASP 60 HA ASP 60 10.645 9.715 1.220 466 HB2 ASP 60 2HB ASP 60 12.723 9.535 2.510 467 HB3 ASP 60 1HB ASP 60 11.675 8.155 2.809 468 H LEU 61 HN LEU 61 11.061 11.364 -0.015 469 HA LEU 61 HA LEU 61 13.390 11.262 -1.817 470 HB2 LEU 61 2HB LEU 61 10.690 12.482 -2.431 471 HB3 LEU 61 1HB LEU 61 12.088 12.505 -3.485 472 HG LEU 61 HG LEU 61 10.730 9.952 -2.622 473 HD11 LEU 61 1HD1 LEU 61 10.303 11.561 -5.135 474 HD12 LEU 61 2HD1 LEU 61 9.133 11.329 -3.834 475 HD13 LEU 61 3HD1 LEU 61 9.650 9.955 -4.810 476 HD21 LEU 61 3HD2 LEU 61 11.885 9.026 -4.585 477 HD22 LEU 61 1HD2 LEU 61 13.020 9.676 -3.398 478 HD23 LEU 61 2HD2 LEU 61 12.653 10.592 -4.859 479 H THR 62 HN THR 62 14.787 12.793 -1.197 480 HA THR 62 HA THR 62 13.680 15.384 -0.342 481 HB THR 62 HB THR 62 15.800 15.539 1.134 482 HG1 THR 62 1HG THR 62 15.556 12.697 0.941 483 HG21 THR 62 3HG2 THR 62 13.591 13.634 1.925 484 HG22 THR 62 1HG2 THR 62 13.500 15.395 2.004 485 HG23 THR 62 2HG2 THR 62 14.647 14.525 3.020 486 H GLU 63 HN GLU 63 16.438 13.623 -1.697 487 HA GLU 63 HA GLU 63 17.589 16.055 -2.776 488 HB2 GLU 63 2HB GLU 63 18.447 13.187 -3.101 489 HB3 GLU 63 1HB GLU 63 19.390 14.613 -3.518 490 HG2 GLU 63 2HG GLU 63 18.432 14.003 -0.743 491 HG3 GLU 63 1HG GLU 63 19.996 13.519 -1.368 492 H ALA 64 HN ALA 64 15.858 13.221 -3.829 493 HA ALA 64 HA ALA 64 16.027 14.029 -6.631 494 HB1 ALA 64 1HB ALA 64 14.751 11.595 -5.383 495 HB2 ALA 64 2HB ALA 64 16.355 11.664 -6.112 496 HB3 ALA 64 3HB ALA 64 14.924 11.900 -7.112 497 H GLY 65 HN GLY 65 14.425 15.110 -7.643 498 HA2 GLY 65 2HA GLY 65 11.688 14.864 -6.869 499 HA3 GLY 65 1HA GLY 65 12.374 16.369 -6.293 500 H GLU 66 HN GLU 66 14.129 16.669 -8.571 501 HA GLU 66 HA GLU 66 12.466 18.260 -10.165 502 HB2 GLU 66 2HB GLU 66 14.657 17.806 -11.770 503 HB3 GLU 66 1HB GLU 66 14.513 19.073 -10.564 504 HG2 GLU 66 2HG GLU 66 16.619 17.895 -10.347 505 HG3 GLU 66 1HG GLU 66 15.616 17.651 -8.920 506 H GLY 67 HN GLY 67 11.608 18.028 -12.192 507 HA2 GLY 67 2HA GLY 67 10.622 16.970 -13.953 508 HA3 GLY 67 1HA GLY 67 11.902 15.768 -13.846 509 H SER 68 HN SER 68 10.856 13.935 -13.954 510 HA SER 68 HA SER 68 8.893 13.363 -11.844 511 HB2 SER 68 2HB SER 68 7.865 13.225 -14.054 512 HB3 SER 68 1HB SER 68 9.123 12.124 -14.595 513 HG SER 68 HG SER 68 8.306 10.538 -13.351 514 H HIS 69 HN HIS 69 9.180 11.500 -10.683 515 HA HIS 69 HA HIS 69 11.595 9.939 -11.280 516 HB2 HIS 69 2HB HIS 69 10.892 11.267 -8.690 517 HB3 HIS 69 1HB HIS 69 11.835 9.780 -8.692 518 HD1 HIS 69 1HD HIS 69 14.192 9.878 -9.879 519 HD2 HIS 69 2HD HIS 69 12.276 13.542 -9.397 520 HE1 HIS 69 1HE HIS 69 15.966 11.629 -10.235 521 HE2 HIS 69 2HE HIS 69 14.818 13.833 -9.800 522 H THR 70 HN THR 70 11.130 7.916 -11.526 523 HA THR 70 HA THR 70 9.006 6.727 -9.860 524 HB THR 70 HB THR 70 10.089 5.603 -12.455 525 HG1 THR 70 1HG THR 70 9.050 7.650 -12.801 526 HG21 THR 70 3HG2 THR 70 8.958 4.024 -10.932 527 HG22 THR 70 1HG2 THR 70 8.062 4.260 -12.431 528 HG23 THR 70 2HG2 THR 70 7.529 5.055 -10.950 529 H VAL 71 HN VAL 71 9.865 5.604 -8.215 530 HA VAL 71 HA VAL 71 12.457 4.259 -8.642 531 HB VAL 71 HB VAL 71 13.035 4.750 -6.289 532 HG11 VAL 71 1HG1 VAL 71 12.437 7.196 -7.952 533 HG12 VAL 71 2HG1 VAL 71 13.893 6.202 -8.034 534 HG13 VAL 71 3HG1 VAL 71 13.542 7.136 -6.578 535 HG21 VAL 71 3HG2 VAL 71 11.766 6.440 -5.042 536 HG22 VAL 71 1HG2 VAL 71 10.785 5.016 -5.387 537 HG23 VAL 71 2HG2 VAL 71 10.566 6.488 -6.334 538 H ASP 72 HN ASP 72 12.877 2.518 -7.024 539 HA ASP 72 HA ASP 72 10.582 0.840 -6.662 540 HB2 ASP 72 2HB ASP 72 12.191 -0.670 -5.471 541 HB3 ASP 72 1HB ASP 72 12.684 -0.251 -7.106 542 H VAL 73 HN VAL 73 9.571 0.305 -4.723 543 HA VAL 73 HA VAL 73 9.772 2.516 -2.806 544 HB VAL 73 HB VAL 73 7.409 0.685 -3.176 545 HG11 VAL 73 1HG1 VAL 73 7.745 3.390 -1.897 546 HG12 VAL 73 2HG1 VAL 73 7.418 1.861 -1.078 547 HG13 VAL 73 3HG1 VAL 73 6.199 2.575 -2.136 548 HG21 VAL 73 3HG2 VAL 73 6.408 2.480 -4.533 549 HG22 VAL 73 1HG2 VAL 73 7.825 1.765 -5.301 550 HG23 VAL 73 2HG2 VAL 73 7.950 3.338 -4.508 551 H GLU 74 HN GLU 74 10.168 2.194 -0.728 552 HA GLU 74 HA GLU 74 10.670 -0.500 0.223 553 HB2 GLU 74 2HB GLU 74 11.078 2.226 1.458 554 HB3 GLU 74 1HB GLU 74 11.405 0.723 2.312 555 HG2 GLU 74 2HG GLU 74 12.706 1.531 -0.280 556 HG3 GLU 74 1HG GLU 74 13.414 1.777 1.316 557 H HIS 75 HN HIS 75 9.617 -1.428 2.002 558 HA HIS 75 HA HIS 75 7.085 -0.150 2.778 559 HB2 HIS 75 2HB HIS 75 6.047 -2.474 2.646 560 HB3 HIS 75 1HB HIS 75 6.388 -1.685 1.111 561 HD1 HIS 75 1HD HIS 75 8.144 -2.767 -0.415 562 HD2 HIS 75 2HD HIS 75 7.666 -4.730 3.219 563 HE1 HIS 75 1HE HIS 75 9.343 -4.961 -0.669 564 HE2 HIS 75 2HE HIS 75 9.233 -6.020 1.610 565 H ARG 76 HN ARG 76 6.279 -0.743 4.819 566 HA ARG 76 HA ARG 76 7.983 -2.420 6.492 567 HB2 ARG 76 2HB ARG 76 8.948 -0.204 6.734 568 HB3 ARG 76 1HB ARG 76 7.369 0.484 7.077 569 HG2 ARG 76 2HG ARG 76 7.255 -0.666 9.175 570 HG3 ARG 76 1HG ARG 76 8.729 -1.566 8.809 571 HD2 ARG 76 2HD ARG 76 10.045 0.441 8.889 572 HD3 ARG 76 1HD ARG 76 8.599 1.437 9.039 573 HE ARG 76 HE ARG 76 8.253 0.288 11.231 574 HH11 ARG 76 1HH1 ARG 76 11.474 0.545 9.842 575 HH12 ARG 76 2HH1 ARG 76 12.270 0.504 11.387 576 HH21 ARG 76 1HH2 ARG 76 9.307 0.229 13.236 577 HH22 ARG 76 2HH2 ARG 76 11.038 0.314 13.311 578 H GLY 77 HN GLY 77 6.923 -3.326 8.234 579 HA2 GLY 77 2HA GLY 77 4.883 -2.995 9.733 580 HA3 GLY 77 1HA GLY 77 4.000 -2.980 8.211 581 H PHE 78 HN PHE 78 4.231 -4.910 6.829 582 HA PHE 78 HA PHE 78 4.172 -7.342 8.375 583 HB2 PHE 78 2HB PHE 78 3.716 -8.417 6.146 584 HB3 PHE 78 1HB PHE 78 2.561 -7.171 6.598 585 HD1 PHE 78 2HD PHE 78 2.517 -5.033 5.423 586 HD2 PHE 78 1HD PHE 78 5.193 -8.136 4.268 587 HE1 PHE 78 2HE PHE 78 2.903 -3.897 3.276 588 HE2 PHE 78 1HE PHE 78 5.580 -7.003 2.119 589 HZ PHE 78 HZ PHE 78 4.434 -4.881 1.620 590 HA PRO 79 HA PRO 79 8.430 -8.271 7.711 591 HB2 PRO 79 2HB PRO 79 8.484 -10.826 8.498 592 HB3 PRO 79 1HB PRO 79 8.125 -9.523 9.637 593 HG2 PRO 79 2HG PRO 79 6.259 -11.420 8.277 594 HG3 PRO 79 1HG PRO 79 6.234 -10.826 9.947 595 HD2 PRO 79 2HD PRO 79 4.670 -9.833 7.891 596 HD3 PRO 79 1HD PRO 79 5.076 -8.945 9.374 597 H GLY 80 HN GLY 80 9.908 -9.491 6.443 598 HA2 GLY 80 2HA GLY 80 8.851 -10.367 3.898 599 HA3 GLY 80 1HA GLY 80 10.546 -10.292 4.360 600 H ASP 81 HN ASP 81 8.429 -11.901 6.496 601 HA ASP 81 HA ASP 81 9.669 -14.439 6.164 602 HB2 ASP 81 2HB ASP 81 8.696 -13.639 8.312 603 HB3 ASP 81 1HB ASP 81 7.100 -13.741 7.586 604 H LEU 82 HN LEU 82 6.646 -12.987 5.212 605 HA LEU 82 HA LEU 82 5.655 -15.416 3.987 606 HB2 LEU 82 2HB LEU 82 4.486 -12.633 3.968 607 HB3 LEU 82 1HB LEU 82 3.657 -14.115 3.534 608 HG LEU 82 HG LEU 82 4.690 -13.492 6.298 609 HD11 LEU 82 1HD1 LEU 82 2.893 -11.966 5.660 610 HD12 LEU 82 2HD1 LEU 82 2.371 -13.100 6.904 611 HD13 LEU 82 3HD1 LEU 82 1.877 -13.341 5.230 612 HD21 LEU 82 3HD2 LEU 82 4.554 -15.871 5.831 613 HD22 LEU 82 1HD2 LEU 82 2.890 -15.684 5.278 614 HD23 LEU 82 2HD2 LEU 82 3.296 -15.387 6.968 615 H ALA 83 HN ALA 83 4.926 -15.404 1.738 616 HA ALA 83 HA ALA 83 6.873 -14.184 -0.018 617 HB1 ALA 83 1HB ALA 83 6.115 -16.466 -0.458 618 HB2 ALA 83 2HB ALA 83 5.691 -15.400 -1.798 619 HB3 ALA 83 3HB ALA 83 4.458 -15.892 -0.638 620 H VAL 84 HN VAL 84 6.653 -12.141 -0.612 621 HA VAL 84 HA VAL 84 3.998 -10.913 -0.502 622 HB VAL 84 HB VAL 84 6.698 -9.575 -0.779 623 HG11 VAL 84 1HG1 VAL 84 3.995 -8.435 -0.075 624 HG12 VAL 84 2HG1 VAL 84 4.858 -8.205 -1.597 625 HG13 VAL 84 3HG1 VAL 84 5.517 -7.540 -0.101 626 HG21 VAL 84 3HG2 VAL 84 5.021 -10.025 1.688 627 HG22 VAL 84 1HG2 VAL 84 6.472 -9.023 1.610 628 HG23 VAL 84 2HG2 VAL 84 6.583 -10.761 1.331 629 H THR 85 HN THR 85 2.943 -10.312 -2.264 630 HA THR 85 HA THR 85 4.412 -10.142 -4.816 631 HB THR 85 HB THR 85 1.481 -10.802 -4.508 632 HG1 THR 85 1HG THR 85 2.340 -12.660 -3.822 633 HG21 THR 85 3HG2 THR 85 2.101 -9.819 -6.657 634 HG22 THR 85 1HG2 THR 85 1.672 -11.519 -6.848 635 HG23 THR 85 2HG2 THR 85 3.366 -11.031 -6.855 636 H VAL 86 HN VAL 86 4.005 -8.336 -6.066 637 HA VAL 86 HA VAL 86 2.368 -6.251 -4.806 638 HB VAL 86 HB VAL 86 5.134 -5.749 -5.902 639 HG11 VAL 86 1HG1 VAL 86 3.679 -3.812 -5.987 640 HG12 VAL 86 2HG1 VAL 86 4.914 -3.593 -4.744 641 HG13 VAL 86 3HG1 VAL 86 3.267 -4.026 -4.285 642 HG21 VAL 86 3HG2 VAL 86 5.314 -7.135 -3.909 643 HG22 VAL 86 1HG2 VAL 86 4.291 -6.002 -3.023 644 HG23 VAL 86 2HG2 VAL 86 5.882 -5.494 -3.592 645 H GLU 87 HN GLU 87 1.377 -4.867 -6.168 646 HA GLU 87 HA GLU 87 1.859 -5.162 -9.060 647 HB2 GLU 87 2HB GLU 87 -0.425 -3.771 -7.614 648 HB3 GLU 87 1HB GLU 87 -0.291 -4.008 -9.351 649 HG2 GLU 87 2HG GLU 87 -0.494 -6.246 -7.351 650 HG3 GLU 87 1HG GLU 87 -1.864 -5.556 -8.214 651 HA PRO 88 HA PRO 88 4.340 -2.709 -10.396 652 HB2 PRO 88 2HB PRO 88 3.310 0.012 -9.871 653 HB3 PRO 88 1HB PRO 88 3.955 -0.685 -11.359 654 HG2 PRO 88 2HG PRO 88 1.187 -0.540 -10.474 655 HG3 PRO 88 1HG PRO 88 1.820 -1.040 -12.053 656 HD2 PRO 88 2HD PRO 88 0.609 -2.789 -10.374 657 HD3 PRO 88 1HD PRO 88 1.967 -3.283 -11.416 658 H ARG 89 HN ARG 89 6.194 -2.474 -9.448 659 HA ARG 89 HA ARG 89 6.207 -2.107 -6.556 660 HB2 ARG 89 2HB ARG 89 8.523 -2.964 -8.268 661 HB3 ARG 89 1HB ARG 89 8.268 -3.255 -6.550 662 HG2 ARG 89 2HG ARG 89 6.289 -4.650 -7.198 663 HG3 ARG 89 1HG ARG 89 6.836 -4.510 -8.868 664 HD2 ARG 89 2HD ARG 89 9.079 -5.348 -8.023 665 HD3 ARG 89 1HD ARG 89 8.230 -5.813 -6.552 666 HE ARG 89 HE ARG 89 6.819 -6.877 -8.715 667 HH11 ARG 89 1HH1 ARG 89 9.959 -7.249 -7.195 668 HH12 ARG 89 2HH1 ARG 89 10.116 -8.924 -7.644 669 HH21 ARG 89 1HH2 ARG 89 7.041 -9.043 -9.338 670 HH22 ARG 89 2HH2 ARG 89 8.472 -9.931 -8.911 671 H MET 90 HN MET 90 6.876 -0.457 -9.349 672 HA MET 90 HA MET 90 8.650 1.456 -8.002 673 HB2 MET 90 2HB MET 90 8.061 1.018 -10.936 674 HB3 MET 90 1HB MET 90 9.048 2.332 -10.315 675 HG2 MET 90 2HG MET 90 10.665 0.781 -9.453 676 HG3 MET 90 1HG MET 90 9.643 -0.582 -9.902 677 HE1 MET 90 3HE MET 90 11.538 2.222 -13.049 678 HE2 MET 90 1HE MET 90 11.688 2.493 -11.312 679 HE3 MET 90 2HE MET 90 10.115 2.643 -12.097 680 H ALA 91 HN ALA 91 7.940 3.459 -7.581 681 HA ALA 91 HA ALA 91 5.197 4.097 -8.446 682 HB1 ALA 91 1HB ALA 91 6.532 4.804 -5.834 683 HB2 ALA 91 2HB ALA 91 5.285 3.578 -6.064 684 HB3 ALA 91 3HB ALA 91 4.906 5.280 -6.323 685 H ARG 92 HN ARG 92 4.752 6.168 -9.038 686 HA ARG 92 HA ARG 92 7.146 7.699 -9.773 687 HB2 ARG 92 2HB ARG 92 6.045 6.889 -11.720 688 HB3 ARG 92 1HB ARG 92 4.471 7.388 -11.118 689 HG2 ARG 92 2HG ARG 92 4.972 9.682 -11.449 690 HG3 ARG 92 1HG ARG 92 6.672 9.328 -11.768 691 HD2 ARG 92 2HD ARG 92 4.379 8.363 -13.467 692 HD3 ARG 92 1HD ARG 92 5.331 9.808 -13.809 693 HE ARG 92 HE ARG 92 7.086 7.642 -13.488 694 HH11 ARG 92 1HH1 ARG 92 4.558 8.663 -15.685 695 HH12 ARG 92 2HH1 ARG 92 5.331 7.991 -17.095 696 HH21 ARG 92 1HH2 ARG 92 8.090 6.733 -15.324 697 HH22 ARG 92 2HH2 ARG 92 7.336 6.884 -16.881 698 H VAL 93 HN VAL 93 7.434 9.581 -8.890 699 HA VAL 93 HA VAL 93 5.088 11.145 -8.046 700 HB VAL 93 HB VAL 93 7.816 11.165 -6.727 701 HG11 VAL 93 1HG1 VAL 93 6.698 13.323 -6.636 702 HG12 VAL 93 2HG1 VAL 93 6.751 12.577 -5.040 703 HG13 VAL 93 3HG1 VAL 93 5.255 12.563 -5.971 704 HG21 VAL 93 3HG2 VAL 93 5.213 9.989 -5.755 705 HG22 VAL 93 1HG2 VAL 93 6.677 10.156 -4.787 706 HG23 VAL 93 2HG2 VAL 93 6.669 9.098 -6.197 707 H GLN 94 HN GLN 94 4.879 12.922 -9.217 708 HA GLN 94 HA GLN 94 7.228 13.989 -10.610 709 HB2 GLN 94 2HB GLN 94 5.415 13.493 -12.101 710 HB3 GLN 94 1HB GLN 94 4.271 14.358 -11.083 711 HG2 GLN 94 2HG GLN 94 5.378 16.458 -11.603 712 HG3 GLN 94 1HG GLN 94 6.561 15.605 -12.586 713 HE21 GLN 94 1HE2 GLN 94 5.967 16.865 -14.359 714 HE22 GLN 94 2HE2 GLN 94 4.504 16.568 -15.224 715 H LEU 95 HN LEU 95 8.172 15.725 -9.844 716 HA LEU 95 HA LEU 95 6.603 17.572 -8.168 717 HB2 LEU 95 2HB LEU 95 9.495 16.768 -7.810 718 HB3 LEU 95 1HB LEU 95 8.645 17.960 -6.846 719 HG LEU 95 HG LEU 95 7.864 15.049 -6.963 720 HD11 LEU 95 1HD1 LEU 95 9.534 16.493 -4.909 721 HD12 LEU 95 2HD1 LEU 95 10.106 15.260 -6.036 722 HD13 LEU 95 3HD1 LEU 95 8.941 14.836 -4.782 723 HD21 LEU 95 3HD2 LEU 95 7.119 17.282 -5.081 724 HD22 LEU 95 1HD2 LEU 95 6.622 15.596 -4.931 725 HD23 LEU 95 2HD2 LEU 95 6.075 16.558 -6.305 726 H GLU 96 HN GLU 96 6.552 19.580 -8.990 727 HA GLU 96 HA GLU 96 8.939 20.531 -10.383 728 HB2 GLU 96 2HB GLU 96 7.628 21.649 -12.109 729 HB3 GLU 96 1HB GLU 96 7.394 19.911 -12.156 730 HG2 GLU 96 2HG GLU 96 5.236 20.144 -11.085 731 HG3 GLU 96 1HG GLU 96 5.477 21.887 -10.943 732 H GLU 97 HN GLU 97 9.356 22.700 -10.229 733 HA GLU 97 HA GLU 97 8.813 23.772 -7.726 734 HB2 GLU 97 2HB GLU 97 9.869 25.853 -8.698 735 HB3 GLU 97 1HB GLU 97 10.829 24.387 -8.778 736 HG2 GLU 97 2HG GLU 97 9.130 25.033 -11.112 737 HG3 GLU 97 1HG GLU 97 10.545 26.044 -10.834 738 H ARG 98 HN ARG 98 7.479 25.236 -6.946 739 HA ARG 98 HA ARG 98 5.175 26.051 -8.451 740 HB2 ARG 98 2HB ARG 98 5.033 25.529 -6.051 741 HB3 ARG 98 1HB ARG 98 6.129 26.851 -5.692 742 HG2 ARG 98 2HG ARG 98 4.507 28.461 -6.387 743 HG3 ARG 98 1HG ARG 98 3.433 27.195 -6.983 744 HD2 ARG 98 2HD ARG 98 2.608 27.926 -4.860 745 HD3 ARG 98 1HD ARG 98 3.292 26.315 -4.650 746 HE ARG 98 HE ARG 98 4.744 28.778 -3.902 747 HH11 ARG 98 1HH1 ARG 98 3.685 25.508 -3.226 748 HH12 ARG 98 2HH1 ARG 98 4.500 25.417 -1.700 749 HH21 ARG 98 1HH2 ARG 98 5.815 28.661 -1.864 750 HH22 ARG 98 2HH2 ARG 98 5.724 27.195 -0.931 751 H GLN 99 HN GLN 99 4.752 28.091 -9.244 752 HA GLN 99 HA GLN 99 7.029 29.603 -9.998 753 HB2 GLN 99 2HB GLN 99 4.069 30.018 -10.381 754 HB3 GLN 99 1HB GLN 99 5.301 31.034 -11.085 755 HG2 GLN 99 2HG GLN 99 4.901 28.108 -11.608 756 HG3 GLN 99 1HG GLN 99 4.531 29.435 -12.709 757 HE21 GLN 99 1HE2 GLN 99 6.205 30.485 -13.762 758 HE22 GLN 99 2HE2 GLN 99 7.801 29.835 -13.841 759 H THR 100 HN THR 100 4.208 30.197 -7.979 760 HA THR 100 HA THR 100 5.445 32.566 -6.841 761 HB THR 100 HB THR 100 3.305 32.513 -5.396 762 HG1 THR 100 1HG THR 100 1.948 30.924 -5.755 763 HG21 THR 100 3HG2 THR 100 1.966 33.486 -7.218 764 HG22 THR 100 1HG2 THR 100 3.112 32.840 -8.394 765 HG23 THR 100 2HG2 THR 100 3.629 34.071 -7.241 766 H VAL 101 HN VAL 101 7.279 31.428 -5.944 767 HA VAL 101 HA VAL 101 7.035 29.297 -4.113 768 HB VAL 101 HB VAL 101 9.273 31.315 -4.256 769 HG11 VAL 101 1HG1 VAL 101 10.635 29.497 -3.314 770 HG12 VAL 101 2HG1 VAL 101 9.187 28.497 -3.189 771 HG13 VAL 101 3HG1 VAL 101 9.324 29.972 -2.232 772 HG21 VAL 101 3HG2 VAL 101 8.937 28.709 -5.738 773 HG22 VAL 101 1HG2 VAL 101 10.390 29.709 -5.739 774 HG23 VAL 101 2HG2 VAL 101 8.897 30.327 -6.446 775 H SER 102 HN SER 102 8.098 32.538 -3.424 776 HA SER 102 HA SER 102 6.247 33.397 -1.592 777 HB2 SER 102 2HB SER 102 7.067 31.349 -0.280 778 HB3 SER 102 1HB SER 102 8.601 32.198 -0.112 779 HG SER 102 HG SER 102 6.589 32.406 1.482 780 H VAL 103 HN VAL 103 7.383 35.112 -0.045 781 HA VAL 103 HA VAL 103 9.576 36.355 -1.571 782 HB VAL 103 HB VAL 103 7.806 37.648 0.516 783 HG11 VAL 103 1HG1 VAL 103 9.988 38.704 0.308 784 HG12 VAL 103 2HG1 VAL 103 8.726 39.748 -0.340 785 HG13 VAL 103 3HG1 VAL 103 9.769 38.845 -1.437 786 HG21 VAL 103 3HG2 VAL 103 6.720 38.802 -1.370 787 HG22 VAL 103 1HG2 VAL 103 6.471 37.057 -1.415 788 HG23 VAL 103 2HG2 VAL 103 7.650 37.807 -2.491 789 HA PRO 104 HA PRO 104 11.632 34.579 2.038 790 HB2 PRO 104 2HB PRO 104 14.014 34.148 0.896 791 HB3 PRO 104 1HB PRO 104 12.605 33.164 0.487 792 HG2 PRO 104 2HG PRO 104 13.826 35.440 -1.021 793 HG3 PRO 104 1HG PRO 104 13.195 33.899 -1.630 794 HD2 PRO 104 2HD PRO 104 11.796 36.274 -1.671 795 HD3 PRO 104 1HD PRO 104 11.050 34.665 -1.696 796 H VAL 105 HN VAL 105 14.205 34.923 2.621 797 HA VAL 105 HA VAL 105 15.747 36.267 3.577 798 HB VAL 105 HB VAL 105 14.646 38.569 1.959 799 HG11 VAL 105 1HG1 VAL 105 16.106 39.251 3.775 800 HG12 VAL 105 2HG1 VAL 105 16.919 39.481 2.228 801 HG13 VAL 105 3HG1 VAL 105 17.338 38.103 3.246 802 HG21 VAL 105 3HG2 VAL 105 16.800 36.592 1.209 803 HG22 VAL 105 1HG2 VAL 105 16.407 38.060 0.315 804 HG23 VAL 105 2HG2 VAL 105 15.220 36.760 0.441 805 H THR 106 HN THR 106 14.462 35.861 5.475 806 HA THR 106 HA THR 106 12.544 37.664 6.459 807 HB THR 106 HB THR 106 14.404 36.014 8.160 808 HG1 THR 106 1HG THR 106 12.684 34.374 7.901 809 HG21 THR 106 3HG2 THR 106 11.533 36.875 8.543 810 HG22 THR 106 1HG2 THR 106 12.937 37.558 9.367 811 HG23 THR 106 2HG2 THR 106 12.471 35.885 9.662 812 H VAL 107 HN VAL 107 15.939 37.287 7.226 813 HA VAL 107 HA VAL 107 16.463 40.069 7.266 814 HB VAL 107 HB VAL 107 15.352 39.987 9.432 815 HG11 VAL 107 1HG1 VAL 107 16.274 38.682 11.301 816 HG12 VAL 107 2HG1 VAL 107 17.393 37.900 10.181 817 HG13 VAL 107 3HG1 VAL 107 15.654 37.657 10.003 818 HG21 VAL 107 3HG2 VAL 107 18.339 40.290 9.686 819 HG22 VAL 107 1HG2 VAL 107 17.150 40.899 10.840 820 HG23 VAL 107 2HG2 VAL 107 17.193 41.536 9.195 821 H GLU 108 HN GLU 108 18.510 40.310 6.679 822 HA GLU 108 HA GLU 108 20.255 37.995 6.739 823 HB2 GLU 108 2HB GLU 108 21.800 39.507 5.406 824 HB3 GLU 108 1HB GLU 108 20.269 39.096 4.648 825 HG2 GLU 108 2HG GLU 108 19.404 41.306 5.515 826 HG3 GLU 108 1HG GLU 108 21.077 41.693 5.913 827 H MET 109 HN MET 109 21.321 37.617 8.502 828 HA MET 109 HA MET 109 23.122 39.438 9.710 829 HB2 MET 109 2HB MET 109 20.960 40.346 10.585 830 HB3 MET 109 1HB MET 109 20.649 38.786 11.330 831 HG2 MET 109 2HG MET 109 22.788 39.085 12.607 832 HG3 MET 109 1HG MET 109 22.831 40.740 11.999 833 HE1 MET 109 3HE MET 109 19.443 42.142 13.498 834 HE2 MET 109 1HE MET 109 19.560 41.257 11.976 835 HE3 MET 109 2HE MET 109 20.782 42.460 12.394 836 H ILE 110 HN ILE 110 21.018 36.995 11.189 837 HA ILE 110 HA ILE 110 23.307 35.310 11.762 838 HB ILE 110 HB ILE 110 21.845 33.912 13.037 839 HG12 ILE 110 2HG1 ILE 110 19.890 34.000 11.437 840 HG13 ILE 110 1HG1 ILE 110 19.468 34.073 13.141 841 HG21 ILE 110 1HG2 ILE 110 22.575 35.956 14.116 842 HG22 ILE 110 2HG2 ILE 110 20.972 35.488 14.682 843 HG23 ILE 110 3HG2 ILE 110 21.145 36.801 13.518 844 HD11 ILE 110 3HD1 ILE 110 19.310 36.583 12.849 845 HD12 ILE 110 1HD1 ILE 110 18.079 35.609 12.043 846 HD13 ILE 110 2HD1 ILE 110 19.412 36.283 11.111 847 H ASN 111 HN ASN 111 20.806 35.632 9.477 848 HA ASN 111 HA ASN 111 21.613 33.125 8.174 849 HB2 ASN 111 2HB ASN 111 19.034 34.693 8.012 850 HB3 ASN 111 1HB ASN 111 19.463 33.461 6.834 851 HD21 ASN 111 1HD2 ASN 111 17.702 32.198 7.357 852 HD22 ASN 111 2HD2 ASN 111 17.610 31.304 8.833 853 H LEU 112 HN LEU 112 22.769 33.344 6.359 854 HA LEU 112 HA LEU 112 22.873 35.990 5.091 855 HB2 LEU 112 2HB LEU 112 24.956 34.585 5.765 856 HB3 LEU 112 1HB LEU 112 24.583 33.630 4.348 857 HG LEU 112 HG LEU 112 25.108 36.602 4.254 858 HD11 LEU 112 1HD1 LEU 112 26.998 34.310 3.747 859 HD12 LEU 112 2HD1 LEU 112 27.093 35.479 5.064 860 HD13 LEU 112 3HD1 LEU 112 27.330 36.007 3.399 861 HD21 LEU 112 3HD2 LEU 112 25.472 36.200 1.865 862 HD22 LEU 112 1HD2 LEU 112 23.836 35.759 2.355 863 HD23 LEU 112 2HD2 LEU 112 25.045 34.502 2.087 864 H GLU 113 HN GLU 113 21.125 36.140 3.780 865 HA GLU 113 HA GLU 113 20.342 33.773 2.254 866 HB2 GLU 113 2HB GLU 113 18.711 35.064 3.746 867 HB3 GLU 113 1HB GLU 113 18.755 36.319 2.514 868 HG2 GLU 113 2HG GLU 113 16.834 34.788 2.292 869 HG3 GLU 113 1HG GLU 113 17.879 34.809 0.869 870 H HIS 114 HN HIS 114 19.672 34.047 0.011 871 HA HIS 114 HA HIS 114 21.475 35.939 -1.342 872 HB2 HIS 114 2HB HIS 114 20.242 33.380 -2.382 873 HB3 HIS 114 1HB HIS 114 21.338 34.426 -3.279 874 HD1 HIS 114 1HD HIS 114 21.465 31.336 -1.771 875 HD2 HIS 114 2HD HIS 114 23.823 34.740 -1.359 876 HE1 HIS 114 1HE HIS 114 23.671 30.531 -0.860 877 HE2 HIS 114 2HE HIS 114 25.115 32.591 -0.705 878 H HIS 115 HN HIS 115 20.485 37.707 -2.089 879 HA HIS 115 HA HIS 115 17.753 37.700 -2.994 880 HB2 HIS 115 2HB HIS 115 19.971 39.727 -3.406 881 HB3 HIS 115 1HB HIS 115 18.300 39.970 -3.901 882 HD1 HIS 115 1HD HIS 115 20.386 41.175 -1.464 883 HD2 HIS 115 2HD HIS 115 16.645 39.370 -1.267 884 HE1 HIS 115 1HE HIS 115 19.404 41.893 0.733 885 HE2 HIS 115 2HE HIS 115 17.065 40.966 0.733 886 H HIS 116 HN HIS 116 17.392 36.306 -4.672 887 HA HIS 116 HA HIS 116 19.354 36.147 -6.802 888 HB2 HIS 116 2HB HIS 116 18.059 34.326 -7.721 889 HB3 HIS 116 1HB HIS 116 18.289 34.065 -6.000 890 HD1 HIS 116 1HD HIS 116 15.631 34.982 -8.516 891 HD2 HIS 116 2HD HIS 116 15.956 33.808 -4.538 892 HE1 HIS 116 1HE HIS 116 13.290 34.451 -7.770 893 HE2 HIS 116 2HE HIS 116 13.562 33.481 -5.467 894 H HIS 117 HN HIS 117 19.321 37.246 -8.587 895 HA HIS 117 HA HIS 117 16.942 38.097 -9.928 896 HB2 HIS 117 2HB HIS 117 16.910 39.793 -8.196 897 HB3 HIS 117 1HB HIS 117 18.609 40.159 -8.466 898 HD1 HIS 117 1HD HIS 117 18.840 42.318 -9.597 899 HD2 HIS 117 2HD HIS 117 15.485 40.252 -10.932 900 HE1 HIS 117 1HE HIS 117 17.792 43.785 -11.358 901 HE2 HIS 117 2HE HIS 117 15.672 42.592 -12.026 902 H HIS 118 HN HIS 118 17.602 37.575 -11.926 903 HA HIS 118 HA HIS 118 20.315 38.414 -12.719 904 HB2 HIS 118 2HB HIS 118 20.469 36.531 -14.208 905 HB3 HIS 118 1HB HIS 118 19.972 35.919 -12.636 906 HD1 HIS 118 1HD HIS 118 17.771 34.653 -12.529 907 HD2 HIS 118 2HD HIS 118 18.429 36.477 -16.207 908 HE1 HIS 118 1HE HIS 118 15.937 33.823 -14.039 909 HE2 HIS 118 2HE HIS 118 16.256 35.082 -16.201 910 H HIS 119 HN HIS 119 20.487 39.794 -14.360 911 HA HIS 119 HA HIS 119 19.089 39.650 -16.753 912 HB2 HIS 119 2HB HIS 119 17.211 40.537 -15.209 913 HB3 HIS 119 1HB HIS 119 18.116 42.048 -15.204 914 HD1 HIS 119 1HD HIS 119 17.469 43.638 -16.985 915 HD2 HIS 119 2HD HIS 119 16.608 39.703 -18.014 916 HE1 HIS 119 1HE HIS 119 16.341 43.750 -19.233 917 HE2 HIS 119 2HE HIS 119 16.062 41.344 -19.936 Start of MODEL 18 1 H1 MET 1 H1 MET 1 5.874 -34.736 3.628 2 H2 MET 1 H2 MET 1 4.498 -35.706 3.412 3 H3 MET 1 H3 MET 1 4.398 -34.272 4.320 4 HA MET 1 HA MET 1 4.990 -34.467 1.431 5 HB2 MET 1 2HB MET 1 2.773 -33.329 1.183 6 HB3 MET 1 1HB MET 1 2.677 -34.974 1.794 7 HG2 MET 1 2HG MET 1 2.440 -34.064 4.085 8 HG3 MET 1 1HG MET 1 2.419 -32.441 3.398 9 HE1 MET 1 2HE MET 1 0.154 -33.774 5.311 10 HE2 MET 1 3HE MET 1 -1.304 -33.147 4.540 11 HE3 MET 1 1HE MET 1 0.098 -32.100 4.759 12 HA PRO 2 HA PRO 2 6.993 -30.613 2.200 13 HB2 PRO 2 2HB PRO 2 7.411 -29.904 -0.384 14 HB3 PRO 2 1HB PRO 2 8.371 -31.129 0.455 15 HG2 PRO 2 2HG PRO 2 6.095 -31.481 -1.457 16 HG3 PRO 2 1HG PRO 2 7.613 -32.391 -1.339 17 HD2 PRO 2 2HD PRO 2 5.262 -33.311 -0.343 18 HD3 PRO 2 1HD PRO 2 6.836 -33.717 0.365 19 H THR 3 HN THR 3 6.384 -28.592 2.456 20 HA THR 3 HA THR 3 5.122 -26.751 2.605 21 HB THR 3 HB THR 3 4.239 -25.753 0.540 22 HG1 THR 3 1HG THR 3 4.277 -28.260 -0.346 23 HG21 THR 3 3HG2 THR 3 6.412 -25.473 -0.562 24 HG22 THR 3 1HG2 THR 3 7.037 -26.866 0.324 25 HG23 THR 3 2HG2 THR 3 6.564 -25.407 1.193 26 H PHE 4 HN PHE 4 3.511 -27.056 3.941 27 HA PHE 4 HA PHE 4 0.887 -27.603 2.788 28 HB2 PHE 4 2HB PHE 4 1.684 -29.672 3.923 29 HB3 PHE 4 1HB PHE 4 1.796 -28.747 5.410 30 HD1 PHE 4 2HD PHE 4 -0.624 -29.737 2.774 31 HD2 PHE 4 1HD PHE 4 -0.032 -28.602 6.835 32 HE1 PHE 4 2HE PHE 4 -2.993 -30.206 3.245 33 HE2 PHE 4 1HE PHE 4 -2.399 -29.068 7.313 34 HZ PHE 4 HZ PHE 4 -3.883 -29.871 5.518 35 H ASP 5 HN ASP 5 -0.854 -26.608 3.939 36 HA ASP 5 HA ASP 5 -1.866 -24.825 4.905 37 HB2 ASP 5 2HB ASP 5 -1.096 -25.637 7.042 38 HB3 ASP 5 1HB ASP 5 0.514 -24.981 6.769 39 H HIS 6 HN HIS 6 -1.760 -23.488 3.173 40 HA HIS 6 HA HIS 6 0.049 -21.264 3.276 41 HB2 HIS 6 2HB HIS 6 1.353 -23.186 2.211 42 HB3 HIS 6 1HB HIS 6 0.230 -23.079 0.864 43 HD1 HIS 6 1HD HIS 6 3.154 -21.396 2.420 44 HD2 HIS 6 2HD HIS 6 0.580 -20.823 -0.796 45 HE1 HIS 6 1HE HIS 6 4.251 -19.650 0.972 46 HE2 HIS 6 2HE HIS 6 2.741 -19.418 -1.036 47 H GLY 7 HN GLY 7 -1.376 -19.697 2.927 48 HA2 GLY 7 2HA GLY 7 -3.154 -19.905 0.582 49 HA3 GLY 7 1HA GLY 7 -3.796 -19.404 2.140 50 H ASN 8 HN ASN 8 -4.418 -17.473 0.812 51 HA ASN 8 HA ASN 8 -2.190 -15.543 0.767 52 HB2 ASN 8 2HB ASN 8 -4.451 -15.801 -1.213 53 HB3 ASN 8 1HB ASN 8 -3.393 -14.405 -1.121 54 HD21 ASN 8 1HD2 ASN 8 -1.445 -14.461 -2.044 55 HD22 ASN 8 2HD2 ASN 8 -0.815 -15.830 -2.904 56 H LEU 9 HN LEU 9 -2.753 -13.377 1.101 57 HA LEU 9 HA LEU 9 -5.430 -12.756 2.083 58 HB2 LEU 9 2HB LEU 9 -3.777 -13.390 3.968 59 HB3 LEU 9 1HB LEU 9 -2.970 -11.884 3.589 60 HG LEU 9 HG LEU 9 -4.529 -11.801 5.529 61 HD11 LEU 9 1HD1 LEU 9 -5.184 -9.963 3.243 62 HD12 LEU 9 2HD1 LEU 9 -3.877 -9.755 4.407 63 HD13 LEU 9 3HD1 LEU 9 -5.555 -9.666 4.941 64 HD21 LEU 9 3HD2 LEU 9 -6.933 -11.657 5.078 65 HD22 LEU 9 1HD2 LEU 9 -6.273 -13.249 4.702 66 HD23 LEU 9 2HD2 LEU 9 -6.629 -12.111 3.401 67 H SER 10 HN SER 10 -6.079 -10.859 1.231 68 HA SER 10 HA SER 10 -4.068 -9.386 -0.327 69 HB2 SER 10 2HB SER 10 -7.063 -9.399 -0.733 70 HB3 SER 10 1HB SER 10 -5.832 -8.813 -1.852 71 HG SER 10 HG SER 10 -5.034 -11.114 -1.735 72 H LEU 11 HN LEU 11 -3.684 -7.292 0.051 73 HA LEU 11 HA LEU 11 -5.180 -5.928 2.144 74 HB2 LEU 11 2HB LEU 11 -2.743 -5.118 0.551 75 HB3 LEU 11 1HB LEU 11 -3.464 -4.138 1.811 76 HG LEU 11 HG LEU 11 -2.269 -6.880 2.222 77 HD11 LEU 11 1HD1 LEU 11 -0.480 -5.685 3.388 78 HD12 LEU 11 2HD1 LEU 11 -1.203 -4.146 2.918 79 HD13 LEU 11 3HD1 LEU 11 -0.560 -5.233 1.685 80 HD21 LEU 11 3HD2 LEU 11 -2.504 -6.360 4.601 81 HD22 LEU 11 1HD2 LEU 11 -4.070 -6.382 3.790 82 HD23 LEU 11 2HD2 LEU 11 -3.307 -4.844 4.192 83 H GLY 12 HN GLY 12 -4.981 -6.051 -1.280 84 HA2 GLY 12 2HA GLY 12 -6.437 -5.100 -2.830 85 HA3 GLY 12 1HA GLY 12 -7.123 -4.117 -1.541 86 H GLU 13 HN GLU 13 -7.041 -2.243 -2.848 87 HA GLU 13 HA GLU 13 -4.519 -1.291 -3.846 88 HB2 GLU 13 2HB GLU 13 -7.196 0.074 -3.548 89 HB3 GLU 13 1HB GLU 13 -5.780 0.842 -4.249 90 HG2 GLU 13 2HG GLU 13 -5.752 -0.963 -5.967 91 HG3 GLU 13 1HG GLU 13 -7.292 -1.526 -5.313 92 H LEU 14 HN LEU 14 -3.001 -0.517 -2.570 93 HA LEU 14 HA LEU 14 -3.780 0.847 -0.100 94 HB2 LEU 14 2HB LEU 14 -1.105 -0.167 -1.053 95 HB3 LEU 14 1HB LEU 14 -1.344 0.725 0.439 96 HG LEU 14 HG LEU 14 -2.546 -1.962 -0.215 97 HD11 LEU 14 1HD1 LEU 14 -1.057 -2.789 1.551 98 HD12 LEU 14 2HD1 LEU 14 -0.337 -1.185 1.683 99 HD13 LEU 14 3HD1 LEU 14 -0.160 -2.112 0.191 100 HD21 LEU 14 3HD2 LEU 14 -4.021 -0.653 1.197 101 HD22 LEU 14 1HD2 LEU 14 -2.687 -0.312 2.303 102 HD23 LEU 14 2HD2 LEU 14 -3.281 -1.962 2.120 103 H GLU 15 HN GLU 15 -3.546 2.955 0.148 104 HA GLU 15 HA GLU 15 -2.756 4.581 -2.098 105 HB2 GLU 15 2HB GLU 15 -3.634 5.319 0.707 106 HB3 GLU 15 1HB GLU 15 -3.306 6.485 -0.566 107 HG2 GLU 15 2HG GLU 15 -5.110 5.563 -1.904 108 HG3 GLU 15 1HG GLU 15 -5.421 4.346 -0.668 109 H LEU 16 HN LEU 16 -0.757 5.270 -2.471 110 HA LEU 16 HA LEU 16 1.304 4.680 -0.532 111 HB2 LEU 16 2HB LEU 16 1.536 4.192 -2.967 112 HB3 LEU 16 1HB LEU 16 1.544 5.914 -3.282 113 HG LEU 16 HG LEU 16 3.593 4.807 -1.411 114 HD11 LEU 16 1HD1 LEU 16 3.607 3.273 -3.319 115 HD12 LEU 16 2HD1 LEU 16 5.058 4.274 -3.275 116 HD13 LEU 16 3HD1 LEU 16 3.764 4.644 -4.417 117 HD21 LEU 16 3HD2 LEU 16 4.952 6.576 -2.415 118 HD22 LEU 16 1HD2 LEU 16 3.441 7.219 -1.768 119 HD23 LEU 16 2HD2 LEU 16 3.626 6.978 -3.506 120 H THR 17 HN THR 17 2.277 6.063 0.769 121 HA THR 17 HA THR 17 1.474 8.871 0.700 122 HB THR 17 HB THR 17 3.121 7.437 2.798 123 HG1 THR 17 1HG THR 17 1.274 6.474 3.221 124 HG21 THR 17 3HG2 THR 17 1.535 10.006 2.918 125 HG22 THR 17 1HG2 THR 17 3.292 9.894 2.820 126 HG23 THR 17 2HG2 THR 17 2.447 9.285 4.244 127 H VAL 18 HN VAL 18 2.851 10.483 0.127 128 HA VAL 18 HA VAL 18 5.548 9.656 -0.692 129 HB VAL 18 HB VAL 18 3.995 12.095 -1.584 130 HG11 VAL 18 1HG1 VAL 18 6.396 12.429 -1.707 131 HG12 VAL 18 2HG1 VAL 18 5.721 12.265 -3.328 132 HG13 VAL 18 3HG1 VAL 18 6.584 10.913 -2.591 133 HG21 VAL 18 3HG2 VAL 18 4.481 9.499 -3.044 134 HG22 VAL 18 1HG2 VAL 18 3.684 10.925 -3.707 135 HG23 VAL 18 2HG2 VAL 18 2.940 10.037 -2.377 136 H LEU 19 HN LEU 19 7.156 10.252 0.601 137 HA LEU 19 HA LEU 19 6.787 12.561 2.363 138 HB2 LEU 19 2HB LEU 19 8.928 10.428 2.321 139 HB3 LEU 19 1HB LEU 19 8.835 11.736 3.483 140 HG LEU 19 HG LEU 19 6.824 9.507 3.159 141 HD11 LEU 19 1HD1 LEU 19 8.926 8.798 4.184 142 HD12 LEU 19 2HD1 LEU 19 7.604 8.792 5.352 143 HD13 LEU 19 3HD1 LEU 19 8.788 10.099 5.369 144 HD21 LEU 19 3HD2 LEU 19 5.752 11.598 3.815 145 HD22 LEU 19 1HD2 LEU 19 6.904 11.781 5.139 146 HD23 LEU 19 2HD2 LEU 19 5.757 10.441 5.145 147 H TYR 20 HN TYR 20 7.583 14.445 1.778 148 HA TYR 20 HA TYR 20 9.995 14.632 0.178 149 HB2 TYR 20 2HB TYR 20 8.925 15.958 -1.588 150 HB3 TYR 20 1HB TYR 20 8.219 14.350 -1.507 151 HD1 TYR 20 2HD TYR 20 5.972 14.084 -0.324 152 HD2 TYR 20 1HD TYR 20 7.571 17.879 -1.395 153 HE1 TYR 20 2HE TYR 20 3.730 15.077 -0.127 154 HE2 TYR 20 1HE TYR 20 5.337 18.882 -1.202 155 HH TYR 20 HH TYR 20 3.006 18.231 -1.263 156 H ASP 21 HN ASP 21 10.687 16.889 -0.088 157 HA ASP 21 HA ASP 21 10.164 18.452 2.281 158 HB2 ASP 21 2HB ASP 21 12.442 18.298 1.288 159 HB3 ASP 21 1HB ASP 21 11.849 19.126 -0.149 160 H GLU 22 HN GLU 22 8.190 19.403 2.292 161 HA GLU 22 HA GLU 22 6.918 20.136 -0.167 162 HB2 GLU 22 2HB GLU 22 4.981 20.657 1.156 163 HB3 GLU 22 1HB GLU 22 5.678 19.155 1.740 164 HG2 GLU 22 2HG GLU 22 5.247 20.164 3.719 165 HG3 GLU 22 1HG GLU 22 6.876 20.777 3.439 166 H GLU 23 HN GLU 23 9.011 21.742 1.944 167 HA GLU 23 HA GLU 23 8.056 24.381 1.654 168 HB2 GLU 23 2HB GLU 23 10.846 23.341 2.169 169 HB3 GLU 23 1HB GLU 23 10.389 25.035 2.258 170 HG2 GLU 23 2HG GLU 23 8.769 24.463 4.034 171 HG3 GLU 23 1HG GLU 23 9.362 22.801 3.989 172 H ARG 24 HN ARG 24 10.480 22.485 -0.125 173 HA ARG 24 HA ARG 24 10.596 24.594 -2.143 174 HB2 ARG 24 2HB ARG 24 12.697 23.498 -1.262 175 HB3 ARG 24 1HB ARG 24 12.186 22.028 -2.082 176 HG2 ARG 24 2HG ARG 24 12.220 23.205 -4.219 177 HG3 ARG 24 1HG ARG 24 12.741 24.676 -3.398 178 HD2 ARG 24 2HD ARG 24 14.736 23.358 -2.577 179 HD3 ARG 24 1HD ARG 24 14.244 22.084 -3.697 180 HE ARG 24 HE ARG 24 14.769 24.820 -4.651 181 HH11 ARG 24 1HH1 ARG 24 15.519 21.383 -4.715 182 HH12 ARG 24 2HH1 ARG 24 16.467 21.498 -6.168 183 HH21 ARG 24 1HH2 ARG 24 16.019 24.947 -6.545 184 HH22 ARG 24 2HH2 ARG 24 16.752 23.518 -7.197 185 H TYR 25 HN TYR 25 9.786 21.146 -1.855 186 HA TYR 25 HA TYR 25 9.044 21.146 -4.699 187 HB2 TYR 25 2HB TYR 25 9.398 18.761 -2.883 188 HB3 TYR 25 1HB TYR 25 9.258 18.751 -4.637 189 HD1 TYR 25 2HD TYR 25 11.137 19.859 -5.978 190 HD2 TYR 25 1HD TYR 25 11.478 18.896 -1.848 191 HE1 TYR 25 2HE TYR 25 13.588 19.956 -6.158 192 HE2 TYR 25 1HE TYR 25 13.926 18.994 -2.020 193 HH TYR 25 HH TYR 25 15.652 18.733 -3.814 194 H ASP 26 HN ASP 26 7.020 20.590 -5.380 195 HA ASP 26 HA ASP 26 5.150 19.505 -3.389 196 HB2 ASP 26 2HB ASP 26 4.662 21.923 -3.838 197 HB3 ASP 26 1HB ASP 26 4.370 21.510 -5.521 198 H ILE 27 HN ILE 27 3.370 18.287 -4.428 199 HA ILE 27 HA ILE 27 4.582 16.518 -6.359 200 HB ILE 27 HB ILE 27 1.860 16.354 -5.061 201 HG12 ILE 27 2HG1 ILE 27 4.435 14.924 -4.360 202 HG13 ILE 27 1HG1 ILE 27 3.731 16.253 -3.444 203 HG21 ILE 27 1HG2 ILE 27 1.951 15.104 -7.138 204 HG22 ILE 27 2HG2 ILE 27 1.904 14.005 -5.760 205 HG23 ILE 27 3HG2 ILE 27 3.424 14.291 -6.604 206 HD11 ILE 27 3HD1 ILE 27 3.236 14.153 -2.373 207 HD12 ILE 27 1HD1 ILE 27 2.522 13.526 -3.860 208 HD13 ILE 27 2HD1 ILE 27 1.751 14.863 -3.005 209 H VAL 28 HN VAL 28 4.448 16.864 -8.462 210 HA VAL 28 HA VAL 28 2.116 18.259 -9.557 211 HB VAL 28 HB VAL 28 4.668 17.421 -10.954 212 HG11 VAL 28 1HG1 VAL 28 2.778 17.635 -12.478 213 HG12 VAL 28 2HG1 VAL 28 3.949 18.927 -12.735 214 HG13 VAL 28 3HG1 VAL 28 2.452 19.254 -11.862 215 HG21 VAL 28 3HG2 VAL 28 5.116 19.079 -9.238 216 HG22 VAL 28 1HG2 VAL 28 3.835 20.110 -9.873 217 HG23 VAL 28 2HG2 VAL 28 5.276 19.799 -10.841 218 H GLU 29 HN GLU 29 3.961 15.269 -9.965 219 HA GLU 29 HA GLU 29 1.543 13.934 -10.933 220 HB2 GLU 29 2HB GLU 29 3.276 14.760 -12.768 221 HB3 GLU 29 1HB GLU 29 4.174 13.343 -12.255 222 HG2 GLU 29 2HG GLU 29 1.310 13.175 -13.126 223 HG3 GLU 29 1HG GLU 29 2.646 13.122 -14.274 224 H GLN 30 HN GLN 30 1.704 11.543 -10.583 225 HA GLN 30 HA GLN 30 3.771 10.539 -8.892 226 HB2 GLN 30 2HB GLN 30 2.411 10.385 -6.820 227 HB3 GLN 30 1HB GLN 30 2.803 12.043 -7.257 228 HG2 GLN 30 2HG GLN 30 0.585 12.359 -8.173 229 HG3 GLN 30 1HG GLN 30 0.185 10.675 -7.844 230 HE21 GLN 30 1HE2 GLN 30 1.524 10.629 -5.281 231 HE22 GLN 30 2HE2 GLN 30 0.531 11.530 -4.194 232 H THR 31 HN THR 31 3.122 8.465 -7.841 233 HA THR 31 HA THR 31 1.221 6.975 -9.486 234 HB THR 31 HB THR 31 3.055 5.903 -7.331 235 HG1 THR 31 1HG THR 31 3.780 7.059 -9.560 236 HG21 THR 31 3HG2 THR 31 1.711 4.584 -9.701 237 HG22 THR 31 1HG2 THR 31 1.250 4.390 -8.009 238 HG23 THR 31 2HG2 THR 31 2.809 3.789 -8.574 239 H GLU 32 HN GLU 32 -0.644 6.069 -8.623 240 HA GLU 32 HA GLU 32 -1.554 7.484 -6.252 241 HB2 GLU 32 2HB GLU 32 -3.108 5.915 -8.310 242 HB3 GLU 32 1HB GLU 32 -3.803 6.903 -7.030 243 HG2 GLU 32 2HG GLU 32 -2.972 8.897 -7.994 244 HG3 GLU 32 1HG GLU 32 -1.953 8.005 -9.122 245 H THR 33 HN THR 33 -2.599 4.284 -7.424 246 HA THR 33 HA THR 33 -2.158 3.272 -4.699 247 HB THR 33 HB THR 33 -4.288 1.906 -5.079 248 HG1 THR 33 1HG THR 33 -5.449 2.311 -6.817 249 HG21 THR 33 3HG2 THR 33 -4.511 4.900 -4.777 250 HG22 THR 33 1HG2 THR 33 -4.184 3.745 -3.485 251 HG23 THR 33 2HG2 THR 33 -5.744 3.728 -4.310 252 H VAL 34 HN VAL 34 -1.586 1.146 -4.485 253 HA VAL 34 HA VAL 34 -1.330 -0.460 -6.936 254 HB VAL 34 HB VAL 34 0.782 -1.429 -6.047 255 HG11 VAL 34 1HG1 VAL 34 0.890 0.272 -7.759 256 HG12 VAL 34 2HG1 VAL 34 2.222 0.478 -6.623 257 HG13 VAL 34 3HG1 VAL 34 0.819 1.543 -6.539 258 HG21 VAL 34 3HG2 VAL 34 0.626 0.835 -4.060 259 HG22 VAL 34 1HG2 VAL 34 2.012 -0.228 -4.303 260 HG23 VAL 34 2HG2 VAL 34 0.495 -0.885 -3.694 261 H GLN 35 HN GLN 35 -1.154 -2.814 -6.458 262 HA GLN 35 HA GLN 35 -2.883 -3.440 -4.166 263 HB2 GLN 35 2HB GLN 35 -3.861 -4.039 -6.300 264 HB3 GLN 35 1HB GLN 35 -2.420 -4.939 -6.749 265 HG2 GLN 35 2HG GLN 35 -2.848 -6.528 -4.938 266 HG3 GLN 35 1HG GLN 35 -4.297 -5.629 -4.497 267 HE21 GLN 35 1HE2 GLN 35 -2.822 -7.713 -6.850 268 HE22 GLN 35 2HE2 GLN 35 -4.280 -8.162 -7.670 269 H VAL 36 HN VAL 36 -2.180 -4.694 -2.564 270 HA VAL 36 HA VAL 36 0.314 -6.233 -2.968 271 HB VAL 36 HB VAL 36 -0.580 -4.882 -0.408 272 HG11 VAL 36 1HG1 VAL 36 1.634 -5.548 0.440 273 HG12 VAL 36 2HG1 VAL 36 1.930 -6.432 -1.057 274 HG13 VAL 36 3HG1 VAL 36 0.635 -6.942 0.028 275 HG21 VAL 36 3HG2 VAL 36 1.679 -4.186 -2.287 276 HG22 VAL 36 1HG2 VAL 36 1.364 -3.420 -0.730 277 HG23 VAL 36 2HG2 VAL 36 0.199 -3.256 -2.045 278 H ASP 37 HN ASP 37 0.221 -8.317 -2.537 279 HA ASP 37 HA ASP 37 -1.976 -9.371 -0.878 280 HB2 ASP 37 2HB ASP 37 -2.511 -9.754 -3.254 281 HB3 ASP 37 1HB ASP 37 -0.949 -10.532 -3.483 282 H LEU 38 HN LEU 38 -1.386 -11.017 0.504 283 HA LEU 38 HA LEU 38 1.492 -11.653 0.523 284 HB2 LEU 38 2HB LEU 38 -0.438 -11.406 2.834 285 HB3 LEU 38 1HB LEU 38 1.182 -12.053 2.985 286 HG LEU 38 HG LEU 38 1.975 -9.778 2.065 287 HD11 LEU 38 1HD1 LEU 38 0.491 -7.899 2.532 288 HD12 LEU 38 2HD1 LEU 38 -0.803 -9.020 2.955 289 HD13 LEU 38 3HD1 LEU 38 -0.190 -8.964 1.301 290 HD21 LEU 38 3HD2 LEU 38 1.878 -8.789 4.318 291 HD22 LEU 38 1HD2 LEU 38 2.358 -10.486 4.338 292 HD23 LEU 38 2HD2 LEU 38 0.716 -10.028 4.792 293 H GLU 39 HN GLU 39 2.075 -13.731 0.431 294 HA GLU 39 HA GLU 39 -0.055 -15.757 0.684 295 HB2 GLU 39 2HB GLU 39 0.945 -15.370 -1.617 296 HB3 GLU 39 1HB GLU 39 2.467 -15.964 -0.970 297 HG2 GLU 39 2HG GLU 39 1.281 -18.086 -0.378 298 HG3 GLU 39 1HG GLU 39 -0.113 -17.473 -1.266 299 H GLY 40 HN GLY 40 0.292 -17.433 2.078 300 HA2 GLY 40 2HA GLY 40 2.674 -18.587 2.835 301 HA3 GLY 40 1HA GLY 40 2.481 -17.218 3.917 302 HA PRO 41 HA PRO 41 0.397 -21.001 5.750 303 HB2 PRO 41 2HB PRO 41 1.648 -19.893 8.192 304 HB3 PRO 41 1HB PRO 41 1.647 -21.550 7.579 305 HG2 PRO 41 2HG PRO 41 3.845 -20.033 7.465 306 HG3 PRO 41 1HG PRO 41 3.436 -21.174 6.171 307 HD2 PRO 41 2HD PRO 41 3.099 -18.199 6.251 308 HD3 PRO 41 1HD PRO 41 3.633 -19.239 4.913 309 H ARG 42 HN ARG 42 -1.511 -21.007 6.856 310 HA ARG 42 HA ARG 42 -2.998 -18.634 6.910 311 HB2 ARG 42 2HB ARG 42 -4.767 -19.896 7.920 312 HB3 ARG 42 1HB ARG 42 -3.961 -20.925 6.745 313 HG2 ARG 42 2HG ARG 42 -2.703 -21.984 8.585 314 HG3 ARG 42 1HG ARG 42 -3.619 -21.006 9.734 315 HD2 ARG 42 2HD ARG 42 -4.555 -23.256 9.511 316 HD3 ARG 42 1HD ARG 42 -5.690 -22.019 8.974 317 HE ARG 42 HE ARG 42 -4.043 -23.593 7.096 318 HH11 ARG 42 1HH1 ARG 42 -7.128 -22.249 8.102 319 HH12 ARG 42 2HH1 ARG 42 -7.960 -22.759 6.655 320 HH21 ARG 42 1HH2 ARG 42 -5.139 -24.262 5.215 321 HH22 ARG 42 2HH2 ARG 42 -6.821 -23.892 5.006 322 H GLY 43 HN GLY 43 -1.078 -20.154 9.406 323 HA2 GLY 43 2HA GLY 43 -2.129 -18.935 11.677 324 HA3 GLY 43 1HA GLY 43 -0.453 -19.432 11.495 325 H VAL 44 HN VAL 44 0.488 -17.773 9.569 326 HA VAL 44 HA VAL 44 0.909 -15.377 11.036 327 HB VAL 44 HB VAL 44 1.575 -15.878 8.125 328 HG11 VAL 44 1HG1 VAL 44 2.723 -13.960 10.145 329 HG12 VAL 44 2HG1 VAL 44 1.760 -13.552 8.724 330 HG13 VAL 44 3HG1 VAL 44 3.373 -14.240 8.530 331 HG21 VAL 44 3HG2 VAL 44 3.789 -16.604 8.923 332 HG22 VAL 44 1HG2 VAL 44 2.497 -17.670 9.476 333 HG23 VAL 44 2HG2 VAL 44 3.209 -16.499 10.586 334 H LEU 45 HN LEU 45 -1.052 -16.236 8.253 335 HA LEU 45 HA LEU 45 -1.856 -13.636 7.526 336 HB2 LEU 45 2HB LEU 45 -3.285 -16.260 7.100 337 HB3 LEU 45 1HB LEU 45 -3.654 -14.756 6.281 338 HG LEU 45 HG LEU 45 -1.065 -16.291 6.037 339 HD11 LEU 45 1HD1 LEU 45 -3.349 -15.935 4.101 340 HD12 LEU 45 2HD1 LEU 45 -2.933 -17.421 4.954 341 HD13 LEU 45 3HD1 LEU 45 -1.825 -16.750 3.757 342 HD21 LEU 45 3HD2 LEU 45 -2.029 -13.826 4.587 343 HD22 LEU 45 1HD2 LEU 45 -0.530 -14.697 4.266 344 HD23 LEU 45 2HD2 LEU 45 -0.756 -13.868 5.808 345 H THR 46 HN THR 46 -3.309 -16.048 9.675 346 HA THR 46 HA THR 46 -5.691 -14.582 10.164 347 HB THR 46 HB THR 46 -4.409 -16.694 11.919 348 HG1 THR 46 1HG THR 46 -4.747 -17.651 9.961 349 HG21 THR 46 3HG2 THR 46 -6.190 -15.425 13.033 350 HG22 THR 46 1HG2 THR 46 -6.688 -17.086 12.717 351 HG23 THR 46 2HG2 THR 46 -7.281 -15.778 11.694 352 H VAL 47 HN VAL 47 -2.607 -14.813 11.948 353 HA VAL 47 HA VAL 47 -3.358 -13.113 14.068 354 HB VAL 47 HB VAL 47 -0.604 -13.528 12.877 355 HG11 VAL 47 1HG1 VAL 47 -0.728 -11.482 14.214 356 HG12 VAL 47 2HG1 VAL 47 0.250 -12.714 15.012 357 HG13 VAL 47 3HG1 VAL 47 -1.397 -12.405 15.563 358 HG21 VAL 47 3HG2 VAL 47 -1.950 -14.853 15.230 359 HG22 VAL 47 1HG2 VAL 47 -0.284 -15.111 14.713 360 HG23 VAL 47 2HG2 VAL 47 -1.617 -15.601 13.667 361 H PHE 48 HN PHE 48 -1.988 -12.480 10.875 362 HA PHE 48 HA PHE 48 -1.721 -9.681 11.169 363 HB2 PHE 48 2HB PHE 48 -0.583 -10.954 9.402 364 HB3 PHE 48 1HB PHE 48 -2.134 -11.331 8.664 365 HD1 PHE 48 2HD PHE 48 0.013 -8.452 9.630 366 HD2 PHE 48 1HD PHE 48 -2.985 -9.959 7.017 367 HE1 PHE 48 2HE PHE 48 0.164 -6.401 8.281 368 HE2 PHE 48 1HE PHE 48 -2.840 -7.912 5.663 369 HZ PHE 48 HZ PHE 48 -1.264 -6.131 6.295 370 H ARG 49 HN ARG 49 -4.428 -11.752 10.370 371 HA ARG 49 HA ARG 49 -6.142 -9.710 9.421 372 HB2 ARG 49 2HB ARG 49 -6.464 -12.538 10.321 373 HB3 ARG 49 1HB ARG 49 -7.880 -11.547 10.100 374 HG2 ARG 49 2HG ARG 49 -6.552 -11.081 7.781 375 HG3 ARG 49 1HG ARG 49 -6.094 -12.747 8.128 376 HD2 ARG 49 2HD ARG 49 -8.094 -12.698 6.759 377 HD3 ARG 49 1HD ARG 49 -8.466 -13.339 8.360 378 HE ARG 49 HE ARG 49 -9.483 -11.214 8.903 379 HH11 ARG 49 1HH1 ARG 49 -8.808 -11.781 5.518 380 HH12 ARG 49 2HH1 ARG 49 -9.890 -10.551 4.954 381 HH21 ARG 49 1HH2 ARG 49 -10.916 -9.619 8.194 382 HH22 ARG 49 2HH2 ARG 49 -11.101 -9.300 6.490 383 H PHE 50 HN PHE 50 -5.281 -10.891 12.587 384 HA PHE 50 HA PHE 50 -7.408 -9.515 13.940 385 HB2 PHE 50 2HB PHE 50 -4.898 -10.912 14.813 386 HB3 PHE 50 1HB PHE 50 -5.816 -9.934 15.943 387 HD1 PHE 50 2HD PHE 50 -8.340 -10.496 16.147 388 HD2 PHE 50 1HD PHE 50 -5.424 -13.138 14.535 389 HE1 PHE 50 2HE PHE 50 -9.827 -12.404 16.595 390 HE2 PHE 50 1HE PHE 50 -6.903 -15.054 14.979 391 HZ PHE 50 HZ PHE 50 -9.109 -14.687 16.011 392 H ALA 51 HN ALA 51 -4.283 -8.783 12.744 393 HA ALA 51 HA ALA 51 -3.796 -6.514 14.412 394 HB1 ALA 51 1HB ALA 51 -2.474 -7.350 11.836 395 HB2 ALA 51 2HB ALA 51 -1.951 -7.796 13.461 396 HB3 ALA 51 3HB ALA 51 -1.886 -6.110 12.944 397 H ARG 52 HN ARG 52 -4.903 -4.705 14.249 398 HA ARG 52 HA ARG 52 -6.385 -3.871 12.014 399 HB2 ARG 52 2HB ARG 52 -5.341 -2.374 14.413 400 HB3 ARG 52 1HB ARG 52 -6.506 -1.732 13.277 401 HG2 ARG 52 2HG ARG 52 -8.079 -3.485 13.849 402 HG3 ARG 52 1HG ARG 52 -6.901 -4.188 14.955 403 HD2 ARG 52 2HD ARG 52 -6.943 -2.136 16.294 404 HD3 ARG 52 1HD ARG 52 -8.142 -1.453 15.192 405 HE ARG 52 HE ARG 52 -9.070 -3.930 16.150 406 HH11 ARG 52 1HH1 ARG 52 -8.414 -0.693 17.312 407 HH12 ARG 52 2HH1 ARG 52 -9.661 -0.739 18.522 408 HH21 ARG 52 1HH2 ARG 52 -10.722 -4.001 17.719 409 HH22 ARG 52 2HH2 ARG 52 -10.987 -2.624 18.755 410 HA PRO 53 HA PRO 53 -3.604 -2.094 9.218 411 HB2 PRO 53 2HB PRO 53 -4.671 0.627 9.607 412 HB3 PRO 53 1HB PRO 53 -4.519 -0.316 8.125 413 HG2 PRO 53 2HG PRO 53 -6.900 0.061 9.317 414 HG3 PRO 53 1HG PRO 53 -6.495 -1.447 8.475 415 HD2 PRO 53 2HD PRO 53 -6.662 -0.884 11.388 416 HD3 PRO 53 1HD PRO 53 -6.985 -2.392 10.509 417 H SER 54 HN SER 54 -1.593 -1.902 9.724 418 HA SER 54 HA SER 54 -0.590 0.440 11.084 419 HB2 SER 54 2HB SER 54 -0.033 -2.433 11.756 420 HB3 SER 54 1HB SER 54 0.980 -1.112 12.272 421 HG SER 54 HG SER 54 -1.611 -0.606 12.823 422 H TYR 55 HN TYR 55 -0.802 -0.981 8.380 423 HA TYR 55 HA TYR 55 2.030 -1.179 7.702 424 HB2 TYR 55 2HB TYR 55 1.073 -2.195 5.531 425 HB3 TYR 55 1HB TYR 55 0.986 -3.166 6.997 426 HD1 TYR 55 1HD TYR 55 -0.955 -1.232 4.547 427 HD2 TYR 55 2HD TYR 55 -1.137 -3.653 8.043 428 HE1 TYR 55 1HE TYR 55 -3.384 -1.470 4.252 429 HE2 TYR 55 2HE TYR 55 -3.565 -3.897 7.755 430 HH TYR 55 HH TYR 55 -5.174 -3.029 4.905 431 H GLU 56 HN GLU 56 2.937 0.107 6.178 432 HA GLU 56 HA GLU 56 1.256 2.170 4.972 433 HB2 GLU 56 2HB GLU 56 2.589 2.654 7.305 434 HB3 GLU 56 1HB GLU 56 3.783 3.160 6.122 435 HG2 GLU 56 2HG GLU 56 0.951 4.144 6.082 436 HG3 GLU 56 1HG GLU 56 2.215 4.931 7.022 437 H VAL 57 HN VAL 57 2.135 3.105 3.146 438 HA VAL 57 HA VAL 57 4.608 1.869 2.121 439 HB VAL 57 HB VAL 57 2.138 2.495 0.475 440 HG11 VAL 57 1HG1 VAL 57 3.319 1.365 -1.343 441 HG12 VAL 57 2HG1 VAL 57 4.724 1.149 -0.299 442 HG13 VAL 57 3HG1 VAL 57 4.216 2.771 -0.770 443 HG21 VAL 57 3HG2 VAL 57 1.915 0.067 0.199 444 HG22 VAL 57 1HG2 VAL 57 1.748 0.552 1.886 445 HG23 VAL 57 2HG2 VAL 57 3.250 -0.179 1.324 446 H PHE 58 HN PHE 58 6.083 3.375 1.556 447 HA PHE 58 HA PHE 58 5.227 6.050 0.859 448 HB2 PHE 58 2HB PHE 58 6.487 7.118 2.689 449 HB3 PHE 58 1HB PHE 58 5.170 6.124 3.302 450 HD1 PHE 58 1HD PHE 58 5.678 3.906 4.315 451 HD2 PHE 58 2HD PHE 58 8.727 6.681 3.264 452 HE1 PHE 58 1HE PHE 58 7.260 2.715 5.774 453 HE2 PHE 58 2HE PHE 58 10.314 5.494 4.718 454 HZ PHE 58 HZ PHE 58 9.582 3.506 5.975 455 H VAL 59 HN VAL 59 6.898 7.379 0.087 456 HA VAL 59 HA VAL 59 9.503 6.092 -0.310 457 HB VAL 59 HB VAL 59 9.629 7.196 -2.568 458 HG11 VAL 59 1HG1 VAL 59 9.207 4.811 -2.371 459 HG12 VAL 59 2HG1 VAL 59 8.299 5.488 -3.721 460 HG13 VAL 59 3HG1 VAL 59 7.477 5.112 -2.207 461 HG21 VAL 59 3HG2 VAL 59 6.663 7.570 -2.144 462 HG22 VAL 59 1HG2 VAL 59 7.509 7.793 -3.674 463 HG23 VAL 59 2HG2 VAL 59 7.870 8.847 -2.307 464 H ASP 60 HN ASP 60 11.195 7.369 0.164 465 HA ASP 60 HA ASP 60 10.669 10.135 0.908 466 HB2 ASP 60 2HB ASP 60 12.929 8.239 1.432 467 HB3 ASP 60 1HB ASP 60 13.211 9.972 1.538 468 H LEU 61 HN LEU 61 10.602 11.400 -0.822 469 HA LEU 61 HA LEU 61 12.820 11.187 -2.749 470 HB2 LEU 61 2HB LEU 61 9.974 12.082 -3.209 471 HB3 LEU 61 1HB LEU 61 11.254 12.186 -4.407 472 HG LEU 61 HG LEU 61 10.197 9.631 -3.185 473 HD11 LEU 61 1HD1 LEU 61 8.609 10.688 -4.698 474 HD12 LEU 61 2HD1 LEU 61 9.274 9.209 -5.394 475 HD13 LEU 61 3HD1 LEU 61 9.849 10.782 -5.946 476 HD21 LEU 61 3HD2 LEU 61 12.201 10.046 -5.406 477 HD22 LEU 61 1HD2 LEU 61 11.593 8.497 -4.820 478 HD23 LEU 61 2HD2 LEU 61 12.581 9.510 -3.770 479 H THR 62 HN THR 62 12.867 12.613 -0.304 480 HA THR 62 HA THR 62 12.316 15.340 -0.511 481 HB THR 62 HB THR 62 14.740 14.649 0.996 482 HG1 THR 62 1HG THR 62 12.446 13.556 2.143 483 HG21 THR 62 3HG2 THR 62 13.461 16.715 1.350 484 HG22 THR 62 1HG2 THR 62 13.489 15.721 2.807 485 HG23 THR 62 2HG2 THR 62 12.045 15.760 1.792 486 H GLU 63 HN GLU 63 15.098 13.441 -1.568 487 HA GLU 63 HA GLU 63 16.563 15.763 -2.442 488 HB2 GLU 63 2HB GLU 63 17.021 12.842 -3.025 489 HB3 GLU 63 1HB GLU 63 18.170 14.150 -3.288 490 HG2 GLU 63 2HG GLU 63 17.062 13.320 -0.624 491 HG3 GLU 63 1HG GLU 63 18.633 12.871 -1.263 492 H ALA 64 HN ALA 64 14.552 13.280 -3.819 493 HA ALA 64 HA ALA 64 13.578 12.958 -5.842 494 HB1 ALA 64 1HB ALA 64 12.654 15.190 -5.442 495 HB2 ALA 64 2HB ALA 64 12.972 14.926 -7.156 496 HB3 ALA 64 3HB ALA 64 14.073 15.915 -6.198 497 H GLY 65 HN GLY 65 14.152 14.211 -8.350 498 HA2 GLY 65 2HA GLY 65 17.006 13.938 -8.795 499 HA3 GLY 65 1HA GLY 65 15.996 12.721 -9.569 500 H GLU 66 HN GLU 66 15.949 13.236 -11.683 501 HA GLU 66 HA GLU 66 15.283 16.005 -12.362 502 HB2 GLU 66 2HB GLU 66 15.954 15.428 -14.655 503 HB3 GLU 66 1HB GLU 66 17.257 15.236 -13.513 504 HG2 GLU 66 2HG GLU 66 15.566 12.953 -14.491 505 HG3 GLU 66 1HG GLU 66 17.049 13.465 -15.291 506 H GLY 67 HN GLY 67 13.515 16.466 -13.589 507 HA2 GLY 67 2HA GLY 67 11.304 16.274 -14.189 508 HA3 GLY 67 1HA GLY 67 11.802 14.750 -14.904 509 H SER 68 HN SER 68 10.439 13.295 -14.350 510 HA SER 68 HA SER 68 9.659 13.012 -11.535 511 HB2 SER 68 2HB SER 68 7.832 12.873 -13.175 512 HB3 SER 68 1HB SER 68 8.642 11.528 -13.970 513 HG SER 68 HG SER 68 6.909 11.324 -12.095 514 H HIS 69 HN HIS 69 10.262 11.250 -10.366 515 HA HIS 69 HA HIS 69 12.429 9.674 -11.596 516 HB2 HIS 69 2HB HIS 69 13.099 11.288 -9.783 517 HB3 HIS 69 1HB HIS 69 12.136 10.334 -8.662 518 HD1 HIS 69 1HD HIS 69 14.071 9.521 -7.231 519 HD2 HIS 69 2HD HIS 69 14.555 8.666 -11.267 520 HE1 HIS 69 1HE HIS 69 16.050 7.977 -7.359 521 HE2 HIS 69 2HE HIS 69 16.213 7.332 -9.790 522 H THR 70 HN THR 70 12.115 7.572 -11.776 523 HA THR 70 HA THR 70 9.862 6.355 -10.343 524 HB THR 70 HB THR 70 11.475 5.086 -12.552 525 HG1 THR 70 1HG THR 70 10.017 7.287 -12.761 526 HG21 THR 70 3HG2 THR 70 10.007 3.605 -11.294 527 HG22 THR 70 1HG2 THR 70 9.389 3.839 -12.929 528 HG23 THR 70 2HG2 THR 70 8.646 4.691 -11.575 529 H VAL 71 HN VAL 71 10.245 5.149 -8.605 530 HA VAL 71 HA VAL 71 12.806 3.706 -8.420 531 HB VAL 71 HB VAL 71 12.802 4.097 -5.963 532 HG11 VAL 71 1HG1 VAL 71 14.227 5.437 -7.394 533 HG12 VAL 71 2HG1 VAL 71 13.617 6.407 -6.052 534 HG13 VAL 71 3HG1 VAL 71 12.914 6.584 -7.660 535 HG21 VAL 71 3HG2 VAL 71 10.607 6.071 -6.598 536 HG22 VAL 71 1HG2 VAL 71 11.439 5.930 -5.048 537 HG23 VAL 71 2HG2 VAL 71 10.449 4.598 -5.640 538 H ASP 72 HN ASP 72 12.735 1.765 -7.173 539 HA ASP 72 HA ASP 72 10.168 0.469 -7.122 540 HB2 ASP 72 2HB ASP 72 11.470 -1.441 -6.069 541 HB3 ASP 72 1HB ASP 72 11.983 -0.967 -7.684 542 H VAL 73 HN VAL 73 8.881 0.115 -5.404 543 HA VAL 73 HA VAL 73 9.416 1.874 -3.143 544 HB VAL 73 HB VAL 73 6.873 0.383 -3.786 545 HG11 VAL 73 1HG1 VAL 73 5.823 2.074 -2.362 546 HG12 VAL 73 2HG1 VAL 73 7.406 2.774 -2.027 547 HG13 VAL 73 3HG1 VAL 73 7.032 1.140 -1.478 548 HG21 VAL 73 3HG2 VAL 73 6.078 2.497 -4.754 549 HG22 VAL 73 1HG2 VAL 73 7.446 1.830 -5.647 550 HG23 VAL 73 2HG2 VAL 73 7.689 3.185 -4.546 551 H GLU 74 HN GLU 74 10.100 1.154 -1.258 552 HA GLU 74 HA GLU 74 9.795 -1.653 -0.569 553 HB2 GLU 74 2HB GLU 74 11.746 0.295 0.009 554 HB3 GLU 74 1HB GLU 74 10.956 -0.076 1.539 555 HG2 GLU 74 2HG GLU 74 12.331 -1.991 -0.327 556 HG3 GLU 74 1HG GLU 74 12.815 -1.540 1.308 557 H HIS 75 HN HIS 75 8.919 -2.239 1.547 558 HA HIS 75 HA HIS 75 6.663 -0.481 2.247 559 HB2 HIS 75 2HB HIS 75 5.360 -2.722 2.459 560 HB3 HIS 75 1HB HIS 75 5.599 -2.026 0.860 561 HD1 HIS 75 1HD HIS 75 7.285 -4.626 3.089 562 HD2 HIS 75 2HD HIS 75 6.663 -3.751 -0.924 563 HE1 HIS 75 1HE HIS 75 8.247 -6.566 1.820 564 HE2 HIS 75 2HE HIS 75 8.148 -5.838 -0.590 565 H ARG 76 HN ARG 76 5.837 -0.706 4.354 566 HA ARG 76 HA ARG 76 7.320 -2.461 6.172 567 HB2 ARG 76 2HB ARG 76 6.997 0.514 6.436 568 HB3 ARG 76 1HB ARG 76 7.226 -0.502 7.851 569 HG2 ARG 76 2HG ARG 76 9.127 -0.437 5.522 570 HG3 ARG 76 1HG ARG 76 9.300 0.566 6.962 571 HD2 ARG 76 2HD ARG 76 10.685 -1.273 7.370 572 HD3 ARG 76 1HD ARG 76 9.219 -1.625 8.279 573 HE ARG 76 HE ARG 76 9.470 -2.765 5.594 574 HH11 ARG 76 1HH1 ARG 76 9.403 -3.221 9.061 575 HH12 ARG 76 2HH1 ARG 76 9.418 -4.951 8.970 576 HH21 ARG 76 1HH2 ARG 76 9.480 -5.058 5.460 577 HH22 ARG 76 2HH2 ARG 76 9.461 -6.001 6.923 578 H GLY 77 HN GLY 77 6.231 -2.629 8.321 579 HA2 GLY 77 2HA GLY 77 4.197 -2.340 9.604 580 HA3 GLY 77 1HA GLY 77 3.324 -2.207 8.088 581 H PHE 78 HN PHE 78 3.579 -4.214 6.638 582 HA PHE 78 HA PHE 78 2.958 -6.532 8.260 583 HB2 PHE 78 2HB PHE 78 2.425 -7.617 6.069 584 HB3 PHE 78 1HB PHE 78 1.495 -6.160 6.386 585 HD1 PHE 78 1HD PHE 78 1.942 -4.105 5.122 586 HD2 PHE 78 2HD PHE 78 3.956 -7.751 4.246 587 HE1 PHE 78 1HE PHE 78 2.606 -3.207 2.932 588 HE2 PHE 78 2HE PHE 78 4.627 -6.858 2.055 589 HZ PHE 78 HZ PHE 78 3.951 -4.584 1.397 590 HA PRO 79 HA PRO 79 6.973 -8.230 8.204 591 HB2 PRO 79 2HB PRO 79 6.398 -10.889 8.364 592 HB3 PRO 79 1HB PRO 79 6.236 -9.776 9.727 593 HG2 PRO 79 2HG PRO 79 4.130 -10.814 7.869 594 HG3 PRO 79 1HG PRO 79 4.066 -10.609 9.629 595 HD2 PRO 79 2HD PRO 79 2.932 -8.847 7.933 596 HD3 PRO 79 1HD PRO 79 3.648 -8.345 9.478 597 H GLY 80 HN GLY 80 8.432 -8.644 6.669 598 HA2 GLY 80 2HA GLY 80 7.582 -9.481 4.030 599 HA3 GLY 80 1HA GLY 80 9.216 -9.043 4.515 600 H ASP 81 HN ASP 81 7.582 -11.326 6.473 601 HA ASP 81 HA ASP 81 9.493 -13.368 5.872 602 HB2 ASP 81 2HB ASP 81 7.211 -13.046 7.779 603 HB3 ASP 81 1HB ASP 81 7.928 -14.627 7.540 604 H LEU 82 HN LEU 82 6.372 -12.526 4.791 605 HA LEU 82 HA LEU 82 5.788 -15.214 3.820 606 HB2 LEU 82 2HB LEU 82 4.128 -12.692 3.687 607 HB3 LEU 82 1HB LEU 82 3.600 -14.303 3.243 608 HG LEU 82 HG LEU 82 4.347 -13.404 6.024 609 HD11 LEU 82 1HD1 LEU 82 1.971 -13.704 6.505 610 HD12 LEU 82 2HD1 LEU 82 1.677 -14.094 4.810 611 HD13 LEU 82 3HD1 LEU 82 2.224 -12.479 5.259 612 HD21 LEU 82 3HD2 LEU 82 3.318 -16.055 5.019 613 HD22 LEU 82 1HD2 LEU 82 3.503 -15.608 6.715 614 HD23 LEU 82 2HD2 LEU 82 4.921 -15.738 5.676 615 H ALA 83 HN ALA 83 4.762 -15.211 1.548 616 HA ALA 83 HA ALA 83 6.622 -13.967 -0.290 617 HB1 ALA 83 1HB ALA 83 4.233 -15.739 -0.831 618 HB2 ALA 83 2HB ALA 83 5.902 -16.284 -0.674 619 HB3 ALA 83 3HB ALA 83 5.439 -15.243 -2.018 620 H VAL 84 HN VAL 84 6.313 -11.917 -0.841 621 HA VAL 84 HA VAL 84 3.633 -10.789 -0.589 622 HB VAL 84 HB VAL 84 6.256 -9.347 -1.017 623 HG11 VAL 84 1HG1 VAL 84 5.014 -7.351 -0.333 624 HG12 VAL 84 2HG1 VAL 84 3.538 -8.309 -0.231 625 HG13 VAL 84 3HG1 VAL 84 4.329 -8.075 -1.789 626 HG21 VAL 84 3HG2 VAL 84 6.265 -10.493 1.120 627 HG22 VAL 84 1HG2 VAL 84 4.679 -9.826 1.511 628 HG23 VAL 84 2HG2 VAL 84 6.076 -8.757 1.377 629 H THR 85 HN THR 85 2.422 -10.317 -2.291 630 HA THR 85 HA THR 85 3.704 -10.245 -4.948 631 HB THR 85 HB THR 85 0.774 -10.681 -4.437 632 HG1 THR 85 1HG THR 85 1.489 -12.507 -3.549 633 HG21 THR 85 3HG2 THR 85 2.548 -11.379 -6.774 634 HG22 THR 85 1HG2 THR 85 1.432 -10.015 -6.702 635 HG23 THR 85 2HG2 THR 85 0.811 -11.665 -6.671 636 H VAL 86 HN VAL 86 3.518 -8.414 -6.090 637 HA VAL 86 HA VAL 86 1.843 -6.273 -4.984 638 HB VAL 86 HB VAL 86 4.632 -5.781 -6.009 639 HG11 VAL 86 1HG1 VAL 86 3.116 -3.873 -6.082 640 HG12 VAL 86 2HG1 VAL 86 4.394 -3.627 -4.892 641 HG13 VAL 86 3HG1 VAL 86 2.772 -4.073 -4.362 642 HG21 VAL 86 3HG2 VAL 86 5.370 -5.551 -3.695 643 HG22 VAL 86 1HG2 VAL 86 4.803 -7.189 -4.023 644 HG23 VAL 86 2HG2 VAL 86 3.781 -6.064 -3.130 645 H GLU 87 HN GLU 87 0.925 -4.923 -6.427 646 HA GLU 87 HA GLU 87 1.523 -5.352 -9.271 647 HB2 GLU 87 2HB GLU 87 -0.803 -3.967 -7.902 648 HB3 GLU 87 1HB GLU 87 -0.556 -3.982 -9.644 649 HG2 GLU 87 2HG GLU 87 -1.125 -6.328 -7.854 650 HG3 GLU 87 1HG GLU 87 -2.158 -5.659 -9.116 651 HA PRO 88 HA PRO 88 4.193 -3.100 -10.534 652 HB2 PRO 88 2HB PRO 88 3.176 -0.340 -10.597 653 HB3 PRO 88 1HB PRO 88 3.898 -1.299 -11.887 654 HG2 PRO 88 2HG PRO 88 1.080 -0.942 -11.245 655 HG3 PRO 88 1HG PRO 88 1.807 -1.702 -12.674 656 HD2 PRO 88 2HD PRO 88 0.419 -3.114 -10.813 657 HD3 PRO 88 1HD PRO 88 1.804 -3.813 -11.687 658 H ARG 89 HN ARG 89 5.900 -2.759 -9.404 659 HA ARG 89 HA ARG 89 5.634 -1.583 -6.743 660 HB2 ARG 89 2HB ARG 89 7.836 -2.688 -6.330 661 HB3 ARG 89 1HB ARG 89 6.462 -3.750 -6.608 662 HG2 ARG 89 2HG ARG 89 7.193 -4.015 -8.946 663 HG3 ARG 89 1HG ARG 89 8.627 -3.048 -8.565 664 HD2 ARG 89 2HD ARG 89 9.261 -4.614 -6.867 665 HD3 ARG 89 1HD ARG 89 7.804 -5.556 -7.142 666 HE ARG 89 HE ARG 89 8.783 -5.811 -9.506 667 HH11 ARG 89 1HH1 ARG 89 10.726 -5.619 -6.582 668 HH12 ARG 89 2HH1 ARG 89 11.986 -6.629 -7.221 669 HH21 ARG 89 1HH2 ARG 89 10.393 -7.140 -10.322 670 HH22 ARG 89 2HH2 ARG 89 11.781 -7.543 -9.349 671 H MET 90 HN MET 90 6.296 -0.447 -9.605 672 HA MET 90 HA MET 90 8.620 1.161 -8.803 673 HB2 MET 90 2HB MET 90 7.411 0.798 -11.556 674 HB3 MET 90 1HB MET 90 8.875 1.692 -11.178 675 HG2 MET 90 2HG MET 90 8.488 -1.275 -10.838 676 HG3 MET 90 1HG MET 90 9.358 -0.488 -12.152 677 HE1 MET 90 3HE MET 90 10.908 1.862 -10.639 678 HE2 MET 90 1HE MET 90 11.610 0.818 -11.872 679 HE3 MET 90 2HE MET 90 12.443 1.051 -10.337 680 H ALA 91 HN ALA 91 8.250 3.207 -8.238 681 HA ALA 91 HA ALA 91 5.652 4.377 -8.998 682 HB1 ALA 91 1HB ALA 91 5.615 5.544 -6.872 683 HB2 ALA 91 2HB ALA 91 7.165 4.831 -6.430 684 HB3 ALA 91 3HB ALA 91 5.744 3.807 -6.614 685 H ARG 92 HN ARG 92 5.670 6.231 -9.973 686 HA ARG 92 HA ARG 92 8.204 7.712 -10.186 687 HB2 ARG 92 2HB ARG 92 7.296 8.633 -12.275 688 HB3 ARG 92 1HB ARG 92 7.296 6.872 -12.326 689 HG2 ARG 92 2HG ARG 92 4.955 6.787 -11.900 690 HG3 ARG 92 1HG ARG 92 4.894 8.520 -11.584 691 HD2 ARG 92 2HD ARG 92 5.775 8.731 -14.015 692 HD3 ARG 92 1HD ARG 92 5.182 7.072 -14.181 693 HE ARG 92 HE ARG 92 3.516 9.381 -13.380 694 HH11 ARG 92 1HH1 ARG 92 3.909 6.369 -15.120 695 HH12 ARG 92 2HH1 ARG 92 2.214 6.206 -15.479 696 HH21 ARG 92 1HH2 ARG 92 1.317 9.200 -13.843 697 HH22 ARG 92 2HH2 ARG 92 0.725 7.831 -14.750 698 H VAL 93 HN VAL 93 8.283 9.696 -9.299 699 HA VAL 93 HA VAL 93 5.775 11.162 -8.904 700 HB VAL 93 HB VAL 93 7.892 10.883 -6.756 701 HG11 VAL 93 1HG1 VAL 93 5.313 12.441 -6.764 702 HG12 VAL 93 2HG1 VAL 93 6.943 13.115 -6.776 703 HG13 VAL 93 3HG1 VAL 93 6.371 12.218 -5.369 704 HG21 VAL 93 3HG2 VAL 93 6.499 8.888 -6.901 705 HG22 VAL 93 1HG2 VAL 93 5.045 9.883 -6.818 706 HG23 VAL 93 2HG2 VAL 93 6.136 9.798 -5.434 707 H GLN 94 HN GLN 94 5.909 13.173 -9.622 708 HA GLN 94 HA GLN 94 8.576 14.299 -10.118 709 HB2 GLN 94 2HB GLN 94 7.228 14.279 -12.107 710 HB3 GLN 94 1HB GLN 94 5.868 15.007 -11.263 711 HG2 GLN 94 2HG GLN 94 7.120 17.070 -10.981 712 HG3 GLN 94 1HG GLN 94 8.516 16.350 -11.771 713 HE21 GLN 94 1HE2 GLN 94 6.979 18.708 -12.471 714 HE22 GLN 94 2HE2 GLN 94 6.429 18.438 -14.083 715 H LEU 95 HN LEU 95 9.308 15.719 -8.732 716 HA LEU 95 HA LEU 95 7.378 17.306 -7.181 717 HB2 LEU 95 2HB LEU 95 10.223 16.538 -6.523 718 HB3 LEU 95 1HB LEU 95 9.225 17.604 -5.549 719 HG LEU 95 HG LEU 95 8.625 14.696 -6.107 720 HD11 LEU 95 1HD1 LEU 95 10.588 15.013 -4.679 721 HD12 LEU 95 2HD1 LEU 95 9.227 14.330 -3.788 722 HD13 LEU 95 3HD1 LEU 95 9.634 16.036 -3.604 723 HD21 LEU 95 3HD2 LEU 95 7.287 16.686 -4.274 724 HD22 LEU 95 1HD2 LEU 95 6.910 14.966 -4.381 725 HD23 LEU 95 2HD2 LEU 95 6.607 16.022 -5.761 726 H GLU 96 HN GLU 96 7.308 19.390 -7.593 727 HA GLU 96 HA GLU 96 9.600 20.640 -8.941 728 HB2 GLU 96 2HB GLU 96 7.587 20.017 -10.444 729 HB3 GLU 96 1HB GLU 96 6.752 21.330 -9.629 730 HG2 GLU 96 2HG GLU 96 8.399 22.913 -10.412 731 HG3 GLU 96 1HG GLU 96 9.334 21.611 -11.145 732 H GLU 97 HN GLU 97 9.969 22.800 -8.408 733 HA GLU 97 HA GLU 97 9.504 23.581 -5.828 734 HB2 GLU 97 2HB GLU 97 10.185 25.173 -8.286 735 HB3 GLU 97 1HB GLU 97 10.044 25.923 -6.707 736 HG2 GLU 97 2HG GLU 97 11.765 24.353 -5.866 737 HG3 GLU 97 1HG GLU 97 11.966 23.768 -7.519 738 H ARG 98 HN ARG 98 7.845 24.315 -4.752 739 HA ARG 98 HA ARG 98 5.312 24.794 -5.879 740 HB2 ARG 98 2HB ARG 98 5.676 24.103 -3.545 741 HB3 ARG 98 1HB ARG 98 6.402 25.661 -3.191 742 HG2 ARG 98 2HG ARG 98 4.320 26.776 -3.518 743 HG3 ARG 98 1HG ARG 98 3.566 25.302 -4.130 744 HD2 ARG 98 2HD ARG 98 4.693 25.602 -1.350 745 HD3 ARG 98 1HD ARG 98 3.000 25.864 -1.759 746 HE ARG 98 HE ARG 98 3.390 23.390 -2.688 747 HH11 ARG 98 1HH1 ARG 98 4.303 24.824 0.371 748 HH12 ARG 98 2HH1 ARG 98 4.135 23.345 1.273 749 HH21 ARG 98 1HH2 ARG 98 3.156 21.443 -1.527 750 HH22 ARG 98 2HH2 ARG 98 3.473 21.432 0.187 751 H GLN 99 HN GLN 99 4.220 26.692 -6.322 752 HA GLN 99 HA GLN 99 5.775 28.389 -7.827 753 HB2 GLN 99 2HB GLN 99 3.574 29.718 -7.954 754 HB3 GLN 99 1HB GLN 99 3.673 28.136 -8.672 755 HG2 GLN 99 2HG GLN 99 2.575 28.553 -5.913 756 HG3 GLN 99 1HG GLN 99 1.578 28.766 -7.347 757 HE21 GLN 99 1HE2 GLN 99 1.133 26.954 -8.647 758 HE22 GLN 99 2HE2 GLN 99 1.274 25.344 -8.022 759 H THR 100 HN THR 100 3.536 29.963 -5.616 760 HA THR 100 HA THR 100 5.729 31.403 -4.347 761 HB THR 100 HB THR 100 3.496 32.984 -5.632 762 HG1 THR 100 1HG THR 100 5.885 31.988 -6.754 763 HG21 THR 100 3HG2 THR 100 5.087 34.826 -5.429 764 HG22 THR 100 1HG2 THR 100 6.296 33.726 -4.762 765 HG23 THR 100 2HG2 THR 100 4.819 34.070 -3.860 766 H VAL 101 HN VAL 101 3.173 29.624 -3.933 767 HA VAL 101 HA VAL 101 2.274 31.042 -1.532 768 HB VAL 101 HB VAL 101 0.436 29.584 -3.451 769 HG11 VAL 101 1HG1 VAL 101 -1.369 30.331 -1.969 770 HG12 VAL 101 2HG1 VAL 101 -0.173 31.013 -0.864 771 HG13 VAL 101 3HG1 VAL 101 -0.235 29.271 -1.131 772 HG21 VAL 101 3HG2 VAL 101 -0.614 31.763 -3.809 773 HG22 VAL 101 1HG2 VAL 101 1.082 31.782 -4.296 774 HG23 VAL 101 2HG2 VAL 101 0.594 32.519 -2.768 775 H SER 102 HN SER 102 2.732 29.810 0.161 776 HA SER 102 HA SER 102 3.278 26.998 -0.144 777 HB2 SER 102 2HB SER 102 3.683 27.153 2.360 778 HB3 SER 102 1HB SER 102 4.699 28.190 1.359 779 HG SER 102 HG SER 102 3.940 29.818 2.427 780 H VAL 103 HN VAL 103 2.315 25.864 2.178 781 HA VAL 103 HA VAL 103 -0.311 25.205 1.473 782 HB VAL 103 HB VAL 103 -0.460 24.167 3.770 783 HG11 VAL 103 1HG1 VAL 103 0.265 22.912 1.824 784 HG12 VAL 103 2HG1 VAL 103 1.179 22.416 3.248 785 HG13 VAL 103 3HG1 VAL 103 1.919 23.480 2.049 786 HG21 VAL 103 3HG2 VAL 103 2.391 25.141 3.951 787 HG22 VAL 103 1HG2 VAL 103 1.623 24.004 5.060 788 HG23 VAL 103 2HG2 VAL 103 1.044 25.666 4.959 789 HA PRO 104 HA PRO 104 -2.448 28.693 3.116 790 HB2 PRO 104 2HB PRO 104 -4.939 27.952 2.490 791 HB3 PRO 104 1HB PRO 104 -3.751 28.344 1.244 792 HG2 PRO 104 2HG PRO 104 -4.660 25.664 2.211 793 HG3 PRO 104 1HG PRO 104 -4.356 26.212 0.553 794 HD2 PRO 104 2HD PRO 104 -2.570 24.752 2.058 795 HD3 PRO 104 1HD PRO 104 -2.114 25.803 0.703 796 H VAL 105 HN VAL 105 -1.853 26.280 4.883 797 HA VAL 105 HA VAL 105 -4.025 25.743 6.564 798 HB VAL 105 HB VAL 105 -1.109 25.880 7.367 799 HG11 VAL 105 1HG1 VAL 105 -1.749 24.280 9.105 800 HG12 VAL 105 2HG1 VAL 105 -3.430 24.383 8.582 801 HG13 VAL 105 3HG1 VAL 105 -2.631 25.799 9.271 802 HG21 VAL 105 3HG2 VAL 105 -1.030 23.488 6.857 803 HG22 VAL 105 1HG2 VAL 105 -1.434 24.430 5.421 804 HG23 VAL 105 2HG2 VAL 105 -2.697 23.550 6.283 805 H THR 106 HN THR 106 -5.223 27.401 7.276 806 HA THR 106 HA THR 106 -4.005 29.893 8.054 807 HB THR 106 HB THR 106 -6.920 29.143 8.258 808 HG1 THR 106 1HG THR 106 -5.476 29.127 6.071 809 HG21 THR 106 3HG2 THR 106 -5.511 31.788 7.881 810 HG22 THR 106 1HG2 THR 106 -6.268 31.227 9.369 811 HG23 THR 106 2HG2 THR 106 -7.259 31.556 7.945 812 H VAL 107 HN VAL 107 -3.715 30.629 10.089 813 HA VAL 107 HA VAL 107 -3.937 28.678 12.221 814 HB VAL 107 HB VAL 107 -2.839 31.499 12.306 815 HG11 VAL 107 1HG1 VAL 107 -1.730 30.802 14.355 816 HG12 VAL 107 2HG1 VAL 107 -2.462 29.201 14.224 817 HG13 VAL 107 3HG1 VAL 107 -3.480 30.615 14.510 818 HG21 VAL 107 3HG2 VAL 107 -0.637 30.453 12.135 819 HG22 VAL 107 1HG2 VAL 107 -1.621 30.088 10.717 820 HG23 VAL 107 2HG2 VAL 107 -1.397 28.869 11.971 821 H GLU 108 HN GLU 108 -5.315 28.726 13.884 822 HA GLU 108 HA GLU 108 -6.920 29.342 15.346 823 HB2 GLU 108 2HB GLU 108 -5.631 31.737 14.848 824 HB3 GLU 108 1HB GLU 108 -7.318 32.110 14.530 825 HG2 GLU 108 2HG GLU 108 -6.108 31.073 17.074 826 HG3 GLU 108 1HG GLU 108 -6.902 32.622 16.799 827 H MET 109 HN MET 109 -7.690 31.553 12.662 828 HA MET 109 HA MET 109 -10.193 30.072 12.275 829 HB2 MET 109 2HB MET 109 -10.697 31.885 13.812 830 HB3 MET 109 1HB MET 109 -9.942 33.050 12.736 831 HG2 MET 109 2HG MET 109 -11.674 32.835 11.141 832 HG3 MET 109 1HG MET 109 -12.337 31.415 11.951 833 HE1 MET 109 3HE MET 109 -10.989 34.504 13.948 834 HE2 MET 109 1HE MET 109 -12.378 35.590 13.917 835 HE3 MET 109 2HE MET 109 -11.505 35.230 12.425 836 H ILE 110 HN ILE 110 -10.734 29.802 10.220 837 HA ILE 110 HA ILE 110 -8.943 30.367 8.152 838 HB ILE 110 HB ILE 110 -10.446 28.487 7.991 839 HG12 ILE 110 2HG1 ILE 110 -11.419 28.869 5.703 840 HG13 ILE 110 1HG1 ILE 110 -10.976 30.566 5.861 841 HG21 ILE 110 1HG2 ILE 110 -12.688 30.495 7.870 842 HG22 ILE 110 2HG2 ILE 110 -12.348 29.379 9.192 843 HG23 ILE 110 3HG2 ILE 110 -12.855 28.757 7.621 844 HD11 ILE 110 3HD1 ILE 110 -9.352 29.346 4.543 845 HD12 ILE 110 1HD1 ILE 110 -9.074 28.238 5.888 846 HD13 ILE 110 2HD1 ILE 110 -8.634 29.940 6.039 847 H ASN 111 HN ASN 111 -8.676 32.005 6.810 848 HA ASN 111 HA ASN 111 -10.269 34.396 7.053 849 HB2 ASN 111 2HB ASN 111 -7.921 34.741 6.796 850 HB3 ASN 111 1HB ASN 111 -7.843 33.672 5.400 851 HD21 ASN 111 1HD2 ASN 111 -8.848 36.811 6.561 852 HD22 ASN 111 2HD2 ASN 111 -8.979 37.557 4.999 853 H LEU 112 HN LEU 112 -11.830 35.062 5.725 854 HA LEU 112 HA LEU 112 -13.416 35.072 4.109 855 HB2 LEU 112 2HB LEU 112 -11.321 33.605 2.496 856 HB3 LEU 112 1HB LEU 112 -12.815 34.250 1.843 857 HG LEU 112 HG LEU 112 -10.572 35.875 3.049 858 HD11 LEU 112 1HD1 LEU 112 -11.479 35.530 0.194 859 HD12 LEU 112 2HD1 LEU 112 -9.974 34.934 0.894 860 HD13 LEU 112 3HD1 LEU 112 -10.252 36.669 0.749 861 HD21 LEU 112 3HD2 LEU 112 -12.720 36.925 3.449 862 HD22 LEU 112 1HD2 LEU 112 -13.160 36.724 1.753 863 HD23 LEU 112 2HD2 LEU 112 -11.841 37.805 2.198 864 H GLU 113 HN GLU 113 -14.161 33.186 2.216 865 HA GLU 113 HA GLU 113 -14.762 30.831 3.871 866 HB2 GLU 113 2HB GLU 113 -16.913 30.688 2.620 867 HB3 GLU 113 1HB GLU 113 -16.772 32.133 3.612 868 HG2 GLU 113 2HG GLU 113 -16.152 33.418 1.610 869 HG3 GLU 113 1HG GLU 113 -16.376 31.966 0.634 870 H HIS 114 HN HIS 114 -14.151 28.943 3.073 871 HA HIS 114 HA HIS 114 -13.383 28.826 0.222 872 HB2 HIS 114 2HB HIS 114 -11.518 28.629 1.922 873 HB3 HIS 114 1HB HIS 114 -12.266 27.139 2.476 874 HD1 HIS 114 1HD HIS 114 -11.484 25.071 1.376 875 HD2 HIS 114 2HD HIS 114 -10.699 28.465 -0.901 876 HE1 HIS 114 1HE HIS 114 -10.126 24.275 -0.593 877 HE2 HIS 114 2HE HIS 114 -9.554 26.363 -1.892 878 H HIS 115 HN HIS 115 -14.895 27.750 -0.879 879 HA HIS 115 HA HIS 115 -16.637 25.866 0.502 880 HB2 HIS 115 2HB HIS 115 -16.701 26.756 -2.393 881 HB3 HIS 115 1HB HIS 115 -17.946 25.837 -1.562 882 HD1 HIS 115 1HD HIS 115 -18.439 28.571 -2.972 883 HD2 HIS 115 2HD HIS 115 -17.791 28.061 1.108 884 HE1 HIS 115 1HE HIS 115 -19.480 30.575 -1.860 885 HE2 HIS 115 2HE HIS 115 -18.921 30.339 0.583 886 H HIS 116 HN HIS 116 -15.412 24.050 0.872 887 HA HIS 116 HA HIS 116 -14.724 22.522 -1.534 888 HB2 HIS 116 2HB HIS 116 -12.625 23.511 -0.734 889 HB3 HIS 116 1HB HIS 116 -12.912 22.852 0.871 890 HD1 HIS 116 1HD HIS 116 -11.774 21.910 -2.555 891 HD2 HIS 116 2HD HIS 116 -12.375 20.105 1.145 892 HE1 HIS 116 1HE HIS 116 -10.690 19.639 -2.716 893 HE2 HIS 116 2HE HIS 116 -11.229 18.502 -0.526 894 H HIS 117 HN HIS 117 -16.487 21.189 -1.255 895 HA HIS 117 HA HIS 117 -16.175 19.315 0.990 896 HB2 HIS 117 2HB HIS 117 -18.566 19.042 1.195 897 HB3 HIS 117 1HB HIS 117 -18.195 20.754 1.320 898 HD1 HIS 117 1HD HIS 117 -19.348 22.308 -0.306 899 HD2 HIS 117 2HD HIS 117 -19.808 18.291 -1.296 900 HE1 HIS 117 1HE HIS 117 -21.041 22.252 -2.163 901 HE2 HIS 117 2HE HIS 117 -21.126 19.838 -2.889 902 H HIS 118 HN HIS 118 -16.338 17.148 0.476 903 HA HIS 118 HA HIS 118 -17.021 16.456 -2.284 904 HB2 HIS 118 2HB HIS 118 -14.544 16.845 -2.183 905 HB3 HIS 118 1HB HIS 118 -14.435 15.535 -1.013 906 HD1 HIS 118 1HD HIS 118 -14.795 13.101 -1.915 907 HD2 HIS 118 2HD HIS 118 -14.870 16.072 -4.830 908 HE1 HIS 118 1HE HIS 118 -14.663 11.897 -4.119 909 HE2 HIS 118 2HE HIS 118 -14.892 13.703 -5.863 910 H HIS 119 HN HIS 119 -18.561 14.998 -2.064 911 HA HIS 119 HA HIS 119 -18.170 12.846 -0.091 912 HB2 HIS 119 2HB HIS 119 -20.658 13.951 -1.382 913 HB3 HIS 119 1HB HIS 119 -20.641 12.347 -0.660 914 HD1 HIS 119 1HD HIS 119 -20.898 12.191 1.836 915 HD2 HIS 119 2HD HIS 119 -20.231 16.087 0.522 916 HE1 HIS 119 1HE HIS 119 -21.257 13.662 3.847 917 HE2 HIS 119 2HE HIS 119 -20.711 15.992 3.064 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -11.720 -19.118 -0.115 2 H2 MET 1 H2 MET 1 -12.157 -19.090 -1.755 3 H3 MET 1 H3 MET 1 -10.524 -18.990 -1.309 4 HA MET 1 HA MET 1 -12.269 -21.322 -0.782 5 HB2 MET 1 2HB MET 1 -10.232 -20.819 -2.952 6 HB3 MET 1 1HB MET 1 -10.765 -22.431 -2.505 7 HG2 MET 1 2HG MET 1 -13.075 -21.793 -3.077 8 HG3 MET 1 1HG MET 1 -12.481 -20.217 -3.595 9 HE1 MET 1 2HE MET 1 -13.423 -22.146 -6.926 10 HE2 MET 1 3HE MET 1 -13.762 -20.729 -5.935 11 HE3 MET 1 1HE MET 1 -14.214 -22.331 -5.356 12 HA PRO 2 HA PRO 2 -9.096 -22.524 2.145 13 HB2 PRO 2 2HB PRO 2 -9.911 -25.251 1.279 14 HB3 PRO 2 1HB PRO 2 -9.818 -24.572 2.906 15 HG2 PRO 2 2HG PRO 2 -12.174 -24.969 1.729 16 HG3 PRO 2 1HG PRO 2 -11.885 -23.542 2.743 17 HD2 PRO 2 2HD PRO 2 -11.973 -23.765 -0.236 18 HD3 PRO 2 1HD PRO 2 -12.566 -22.462 0.813 19 H THR 3 HN THR 3 -7.037 -22.360 1.509 20 HA THR 3 HA THR 3 -6.269 -23.390 -1.102 21 HB THR 3 HB THR 3 -4.380 -21.848 0.574 22 HG1 THR 3 1HG THR 3 -6.893 -20.964 -0.273 23 HG21 THR 3 3HG2 THR 3 -3.862 -20.820 -1.605 24 HG22 THR 3 1HG2 THR 3 -5.153 -21.770 -2.343 25 HG23 THR 3 2HG2 THR 3 -3.740 -22.579 -1.665 26 H PHE 4 HN PHE 4 -4.680 -24.875 -1.439 27 HA PHE 4 HA PHE 4 -3.884 -26.457 0.866 28 HB2 PHE 4 2HB PHE 4 -3.786 -27.077 -2.063 29 HB3 PHE 4 1HB PHE 4 -3.422 -28.196 -0.771 30 HD1 PHE 4 1HD PHE 4 -5.228 -28.998 0.719 31 HD2 PHE 4 2HD PHE 4 -6.022 -26.602 -2.711 32 HE1 PHE 4 1HE PHE 4 -7.596 -29.654 0.812 33 HE2 PHE 4 2HE PHE 4 -8.393 -27.255 -2.621 34 HZ PHE 4 HZ PHE 4 -9.182 -28.784 -0.859 35 H ASP 5 HN ASP 5 -1.790 -26.734 1.433 36 HA ASP 5 HA ASP 5 0.357 -26.099 1.763 37 HB2 ASP 5 2HB ASP 5 0.662 -27.620 -0.167 38 HB3 ASP 5 1HB ASP 5 0.516 -26.242 -1.252 39 H HIS 6 HN HIS 6 -0.148 -24.103 2.598 40 HA HIS 6 HA HIS 6 0.180 -21.871 2.864 41 HB2 HIS 6 2HB HIS 6 1.270 -21.845 0.040 42 HB3 HIS 6 1HB HIS 6 1.398 -20.540 1.211 43 HD1 HIS 6 1HD HIS 6 2.982 -23.703 0.146 44 HD2 HIS 6 2HD HIS 6 3.227 -21.068 3.361 45 HE1 HIS 6 1HE HIS 6 5.114 -24.291 1.346 46 HE2 HIS 6 2HE HIS 6 5.230 -22.713 3.311 47 H GLY 7 HN GLY 7 -1.047 -20.001 2.544 48 HA2 GLY 7 2HA GLY 7 -3.172 -20.285 0.506 49 HA3 GLY 7 1HA GLY 7 -3.493 -19.713 2.137 50 H ASN 8 HN ASN 8 -4.447 -17.981 0.648 51 HA ASN 8 HA ASN 8 -2.387 -15.954 0.089 52 HB2 ASN 8 2HB ASN 8 -5.076 -16.278 -1.260 53 HB3 ASN 8 1HB ASN 8 -3.912 -15.008 -1.596 54 HD21 ASN 8 1HD2 ASN 8 -2.158 -15.436 -2.884 55 HD22 ASN 8 2HD2 ASN 8 -1.964 -16.929 -3.744 56 H LEU 9 HN LEU 9 -2.984 -13.777 0.494 57 HA LEU 9 HA LEU 9 -5.446 -13.222 1.932 58 HB2 LEU 9 2HB LEU 9 -3.879 -13.880 3.721 59 HB3 LEU 9 1HB LEU 9 -2.740 -12.670 3.162 60 HG LEU 9 HG LEU 9 -4.448 -10.916 3.686 61 HD11 LEU 9 1HD1 LEU 9 -5.878 -13.247 4.946 62 HD12 LEU 9 2HD1 LEU 9 -6.449 -12.239 3.617 63 HD13 LEU 9 3HD1 LEU 9 -6.262 -11.550 5.227 64 HD21 LEU 9 3HD2 LEU 9 -4.076 -10.991 6.106 65 HD22 LEU 9 1HD2 LEU 9 -2.612 -11.370 5.199 66 HD23 LEU 9 2HD2 LEU 9 -3.534 -12.663 5.963 67 H SER 10 HN SER 10 -6.200 -11.280 1.321 68 HA SER 10 HA SER 10 -4.405 -9.602 -0.272 69 HB2 SER 10 2HB SER 10 -7.427 -9.601 -0.086 70 HB3 SER 10 1HB SER 10 -6.464 -8.617 -1.185 71 HG SER 10 HG SER 10 -5.717 -10.515 -2.169 72 H LEU 11 HN LEU 11 -3.697 -7.710 0.473 73 HA LEU 11 HA LEU 11 -4.804 -6.606 2.928 74 HB2 LEU 11 2HB LEU 11 -2.476 -5.774 1.192 75 HB3 LEU 11 1HB LEU 11 -2.988 -4.877 2.609 76 HG LEU 11 HG LEU 11 -2.030 -7.744 2.649 77 HD11 LEU 11 1HD1 LEU 11 -0.231 -6.202 2.057 78 HD12 LEU 11 2HD1 LEU 11 -0.010 -6.856 3.678 79 HD13 LEU 11 3HD1 LEU 11 -0.612 -5.213 3.465 80 HD21 LEU 11 3HD2 LEU 11 -3.583 -7.223 4.457 81 HD22 LEU 11 1HD2 LEU 11 -2.622 -5.805 4.883 82 HD23 LEU 11 2HD2 LEU 11 -1.941 -7.421 5.071 83 H GLY 12 HN GLY 12 -5.228 -6.344 -0.395 84 HA2 GLY 12 2HA GLY 12 -6.984 -5.195 -1.416 85 HA3 GLY 12 1HA GLY 12 -7.107 -4.163 0.004 86 H GLU 13 HN GLU 13 -7.222 -2.346 -1.354 87 HA GLU 13 HA GLU 13 -4.742 -1.679 -2.771 88 HB2 GLU 13 2HB GLU 13 -6.123 0.201 -3.730 89 HB3 GLU 13 1HB GLU 13 -6.637 -1.417 -4.183 90 HG2 GLU 13 2HG GLU 13 -8.359 -1.276 -2.367 91 HG3 GLU 13 1HG GLU 13 -7.915 0.420 -2.176 92 H LEU 14 HN LEU 14 -3.310 -0.674 -1.572 93 HA LEU 14 HA LEU 14 -4.200 1.004 0.659 94 HB2 LEU 14 2HB LEU 14 -1.465 -0.087 -0.018 95 HB3 LEU 14 1HB LEU 14 -1.839 0.879 1.397 96 HG LEU 14 HG LEU 14 -2.960 -1.866 0.806 97 HD11 LEU 14 1HD1 LEU 14 -1.584 -2.592 2.689 98 HD12 LEU 14 2HD1 LEU 14 -0.907 -0.968 2.825 99 HD13 LEU 14 3HD1 LEU 14 -0.592 -1.938 1.384 100 HD21 LEU 14 3HD2 LEU 14 -3.853 -1.747 3.082 101 HD22 LEU 14 1HD2 LEU 14 -4.533 -0.485 2.055 102 HD23 LEU 14 2HD2 LEU 14 -3.272 -0.088 3.223 103 H GLU 15 HN GLU 15 -3.229 3.082 1.002 104 HA GLU 15 HA GLU 15 -2.789 4.452 -1.534 105 HB2 GLU 15 2HB GLU 15 -3.383 5.556 1.220 106 HB3 GLU 15 1HB GLU 15 -3.215 6.520 -0.242 107 HG2 GLU 15 2HG GLU 15 -5.136 5.376 -1.220 108 HG3 GLU 15 1HG GLU 15 -5.298 4.399 0.236 109 H LEU 16 HN LEU 16 -0.996 5.611 -2.009 110 HA LEU 16 HA LEU 16 1.396 4.926 -0.506 111 HB2 LEU 16 2HB LEU 16 1.429 4.677 -2.919 112 HB3 LEU 16 1HB LEU 16 1.008 6.365 -3.131 113 HG LEU 16 HG LEU 16 3.198 6.923 -1.967 114 HD11 LEU 16 1HD1 LEU 16 3.756 4.024 -2.564 115 HD12 LEU 16 2HD1 LEU 16 3.574 4.726 -0.955 116 HD13 LEU 16 3HD1 LEU 16 4.919 5.216 -1.984 117 HD21 LEU 16 3HD2 LEU 16 2.889 7.161 -4.367 118 HD22 LEU 16 1HD2 LEU 16 3.295 5.462 -4.599 119 HD23 LEU 16 2HD2 LEU 16 4.512 6.585 -3.995 120 H THR 17 HN THR 17 2.602 6.285 0.683 121 HA THR 17 HA THR 17 1.841 9.130 0.720 122 HB THR 17 HB THR 17 3.383 7.621 2.842 123 HG1 THR 17 1HG THR 17 0.898 7.280 2.280 124 HG21 THR 17 3HG2 THR 17 3.762 10.030 2.868 125 HG22 THR 17 1HG2 THR 17 2.778 9.552 4.253 126 HG23 THR 17 2HG2 THR 17 2.023 10.322 2.855 127 H VAL 18 HN VAL 18 3.289 10.557 -0.089 128 HA VAL 18 HA VAL 18 5.986 9.547 -0.693 129 HB VAL 18 HB VAL 18 4.531 11.860 -1.993 130 HG11 VAL 18 1HG1 VAL 18 6.334 11.735 -3.668 131 HG12 VAL 18 2HG1 VAL 18 7.136 10.510 -2.685 132 HG13 VAL 18 3HG1 VAL 18 6.934 12.147 -2.061 133 HG21 VAL 18 3HG2 VAL 18 5.028 9.065 -3.021 134 HG22 VAL 18 1HG2 VAL 18 4.314 10.391 -3.937 135 HG23 VAL 18 2HG2 VAL 18 3.467 9.732 -2.539 136 H LEU 19 HN LEU 19 7.702 10.440 0.239 137 HA LEU 19 HA LEU 19 7.321 12.867 1.844 138 HB2 LEU 19 2HB LEU 19 9.620 10.902 1.815 139 HB3 LEU 19 1HB LEU 19 9.454 12.263 2.906 140 HG LEU 19 HG LEU 19 7.627 9.864 2.811 141 HD11 LEU 19 1HD1 LEU 19 9.723 10.666 4.821 142 HD12 LEU 19 2HD1 LEU 19 9.842 9.334 3.673 143 HD13 LEU 19 3HD1 LEU 19 8.632 9.287 4.952 144 HD21 LEU 19 3HD2 LEU 19 7.698 12.207 4.706 145 HD22 LEU 19 1HD2 LEU 19 6.665 10.786 4.858 146 HD23 LEU 19 2HD2 LEU 19 6.456 11.888 3.497 147 H TYR 20 HN TYR 20 7.913 14.721 0.995 148 HA TYR 20 HA TYR 20 10.272 14.898 -0.710 149 HB2 TYR 20 2HB TYR 20 9.054 16.134 -2.458 150 HB3 TYR 20 1HB TYR 20 8.435 14.496 -2.278 151 HD1 TYR 20 1HD TYR 20 6.283 14.182 -0.911 152 HD2 TYR 20 2HD TYR 20 7.612 17.977 -2.302 153 HE1 TYR 20 1HE TYR 20 4.011 15.076 -0.631 154 HE2 TYR 20 2HE TYR 20 5.343 18.876 -2.017 155 HH TYR 20 HH TYR 20 3.043 18.070 -1.938 156 H ASP 21 HN ASP 21 8.750 15.909 1.882 157 HA ASP 21 HA ASP 21 8.663 17.737 3.206 158 HB2 ASP 21 2HB ASP 21 11.193 17.658 2.387 159 HB3 ASP 21 1HB ASP 21 10.739 19.187 1.642 160 H GLU 22 HN GLU 22 8.930 20.424 2.832 161 HA GLU 22 HA GLU 22 6.946 21.037 0.743 162 HB2 GLU 22 2HB GLU 22 7.134 22.241 3.513 163 HB3 GLU 22 1HB GLU 22 5.932 22.632 2.293 164 HG2 GLU 22 2HG GLU 22 5.108 20.323 2.393 165 HG3 GLU 22 1HG GLU 22 6.284 19.976 3.652 166 H GLU 23 HN GLU 23 9.892 21.208 0.806 167 HA GLU 23 HA GLU 23 10.725 23.862 1.303 168 HB2 GLU 23 2HB GLU 23 12.046 21.842 -0.509 169 HB3 GLU 23 1HB GLU 23 12.800 23.231 0.254 170 HG2 GLU 23 2HG GLU 23 12.400 22.226 2.455 171 HG3 GLU 23 1HG GLU 23 11.693 20.818 1.664 172 H ARG 24 HN ARG 24 10.775 22.268 -1.894 173 HA ARG 24 HA ARG 24 9.611 24.669 -3.069 174 HB2 ARG 24 2HB ARG 24 12.435 23.931 -3.242 175 HB3 ARG 24 1HB ARG 24 11.685 24.214 -4.805 176 HG2 ARG 24 2HG ARG 24 11.627 26.139 -2.489 177 HG3 ARG 24 1HG ARG 24 12.723 26.233 -3.870 178 HD2 ARG 24 2HD ARG 24 10.963 26.654 -5.370 179 HD3 ARG 24 1HD ARG 24 9.742 26.156 -4.203 180 HE ARG 24 HE ARG 24 11.104 28.349 -3.139 181 HH11 ARG 24 1HH1 ARG 24 9.011 27.605 -5.827 182 HH12 ARG 24 2HH1 ARG 24 8.249 29.164 -5.854 183 HH21 ARG 24 1HH2 ARG 24 10.111 30.408 -3.146 184 HH22 ARG 24 2HH2 ARG 24 8.895 30.776 -4.332 185 H TYR 25 HN TYR 25 9.287 21.542 -2.846 186 HA TYR 25 HA TYR 25 8.507 21.261 -5.665 187 HB2 TYR 25 2HB TYR 25 9.826 19.179 -3.911 188 HB3 TYR 25 1HB TYR 25 9.028 18.800 -5.433 189 HD1 TYR 25 2HD TYR 25 9.990 19.545 -7.558 190 HD2 TYR 25 1HD TYR 25 11.978 20.253 -3.864 191 HE1 TYR 25 2HE TYR 25 12.069 20.038 -8.776 192 HE2 TYR 25 1HE TYR 25 14.061 20.750 -5.070 193 HH TYR 25 HH TYR 25 14.173 21.309 -8.400 194 H ASP 26 HN ASP 26 6.635 20.065 -6.057 195 HA ASP 26 HA ASP 26 5.211 18.947 -3.777 196 HB2 ASP 26 2HB ASP 26 4.416 21.331 -4.150 197 HB3 ASP 26 1HB ASP 26 3.793 20.793 -5.706 198 H ILE 27 HN ILE 27 3.297 17.645 -4.560 199 HA ILE 27 HA ILE 27 4.360 15.913 -6.622 200 HB ILE 27 HB ILE 27 1.852 15.603 -4.968 201 HG12 ILE 27 2HG1 ILE 27 4.590 14.353 -4.644 202 HG13 ILE 27 1HG1 ILE 27 3.919 15.622 -3.624 203 HG21 ILE 27 1HG2 ILE 27 3.313 13.613 -6.701 204 HG22 ILE 27 2HG2 ILE 27 1.746 14.344 -7.051 205 HG23 ILE 27 3HG2 ILE 27 1.926 13.261 -5.671 206 HD11 ILE 27 3HD1 ILE 27 2.825 12.832 -3.919 207 HD12 ILE 27 1HD1 ILE 27 2.158 14.102 -2.892 208 HD13 ILE 27 2HD1 ILE 27 3.763 13.447 -2.556 209 H VAL 28 HN VAL 28 3.919 16.172 -8.677 210 HA VAL 28 HA VAL 28 1.475 17.504 -9.542 211 HB VAL 28 HB VAL 28 3.763 16.372 -11.172 212 HG11 VAL 28 1HG1 VAL 28 2.834 17.709 -13.015 213 HG12 VAL 28 2HG1 VAL 28 1.446 18.114 -12.006 214 HG13 VAL 28 3HG1 VAL 28 1.728 16.440 -12.488 215 HG21 VAL 28 3HG2 VAL 28 4.455 18.231 -9.768 216 HG22 VAL 28 1HG2 VAL 28 3.127 19.214 -10.390 217 HG23 VAL 28 2HG2 VAL 28 4.428 18.705 -11.468 218 H GLU 29 HN GLU 29 3.054 14.348 -9.821 219 HA GLU 29 HA GLU 29 0.458 13.081 -10.001 220 HB2 GLU 29 2HB GLU 29 0.983 11.770 -11.975 221 HB3 GLU 29 1HB GLU 29 1.061 13.483 -12.364 222 HG2 GLU 29 2HG GLU 29 3.521 13.375 -12.128 223 HG3 GLU 29 1HG GLU 29 3.386 11.636 -11.881 224 H GLN 30 HN GLN 30 0.615 10.735 -9.664 225 HA GLN 30 HA GLN 30 3.071 9.646 -8.621 226 HB2 GLN 30 2HB GLN 30 2.361 9.466 -6.304 227 HB3 GLN 30 1HB GLN 30 2.322 11.158 -6.781 228 HG2 GLN 30 2HG GLN 30 -0.132 10.888 -7.210 229 HG3 GLN 30 1HG GLN 30 -0.013 9.287 -6.485 230 HE21 GLN 30 1HE2 GLN 30 -0.062 12.676 -5.946 231 HE22 GLN 30 2HE2 GLN 30 -0.149 12.624 -4.221 232 H THR 31 HN THR 31 2.319 7.527 -7.244 233 HA THR 31 HA THR 31 0.030 6.356 -8.664 234 HB THR 31 HB THR 31 2.020 5.073 -9.120 235 HG1 THR 31 1HG THR 31 0.322 3.777 -7.240 236 HG21 THR 31 3HG2 THR 31 3.334 3.975 -7.378 237 HG22 THR 31 1HG2 THR 31 2.362 4.771 -6.140 238 HG23 THR 31 2HG2 THR 31 3.388 5.731 -7.207 239 H GLU 32 HN GLU 32 -1.608 7.003 -7.401 240 HA GLU 32 HA GLU 32 -1.339 7.604 -4.673 241 HB2 GLU 32 2HB GLU 32 -3.905 7.085 -6.167 242 HB3 GLU 32 1HB GLU 32 -3.711 8.028 -4.694 243 HG2 GLU 32 2HG GLU 32 -2.287 9.610 -5.948 244 HG3 GLU 32 1HG GLU 32 -2.633 8.699 -7.418 245 H THR 33 HN THR 33 -2.609 4.732 -6.281 246 HA THR 33 HA THR 33 -2.792 3.478 -3.627 247 HB THR 33 HB THR 33 -4.737 2.124 -4.639 248 HG1 THR 33 1HG THR 33 -5.902 3.283 -6.255 249 HG21 THR 33 3HG2 THR 33 -5.120 5.052 -3.999 250 HG22 THR 33 1HG2 THR 33 -5.013 3.742 -2.825 251 HG23 THR 33 2HG2 THR 33 -6.372 3.812 -3.944 252 H VAL 34 HN VAL 34 -2.234 1.357 -3.464 253 HA VAL 34 HA VAL 34 -1.329 -0.016 -5.901 254 HB VAL 34 HB VAL 34 0.574 -0.967 -4.553 255 HG11 VAL 34 1HG1 VAL 34 1.016 0.649 -6.237 256 HG12 VAL 34 2HG1 VAL 34 1.983 1.071 -4.820 257 HG13 VAL 34 3HG1 VAL 34 0.508 1.971 -5.184 258 HG21 VAL 34 3HG2 VAL 34 -0.210 -0.414 -2.319 259 HG22 VAL 34 1HG2 VAL 34 -0.124 1.307 -2.691 260 HG23 VAL 34 2HG2 VAL 34 1.354 0.344 -2.619 261 H GLN 35 HN GLN 35 -1.521 -2.244 -5.881 262 HA GLN 35 HA GLN 35 -3.248 -3.307 -3.782 263 HB2 GLN 35 2HB GLN 35 -2.490 -4.394 -6.496 264 HB3 GLN 35 1HB GLN 35 -3.522 -5.239 -5.348 265 HG2 GLN 35 2HG GLN 35 -5.162 -3.481 -5.463 266 HG3 GLN 35 1HG GLN 35 -4.104 -2.524 -6.493 267 HE21 GLN 35 1HE2 GLN 35 -3.235 -4.897 -7.987 268 HE22 GLN 35 2HE2 GLN 35 -4.544 -5.296 -9.040 269 H VAL 36 HN VAL 36 -2.586 -4.670 -2.320 270 HA VAL 36 HA VAL 36 0.066 -5.932 -2.615 271 HB VAL 36 HB VAL 36 -1.058 -4.987 0.025 272 HG11 VAL 36 1HG1 VAL 36 1.220 -5.285 0.816 273 HG12 VAL 36 2HG1 VAL 36 1.737 -5.766 -0.799 274 HG13 VAL 36 3HG1 VAL 36 0.611 -6.779 0.102 275 HG21 VAL 36 3HG2 VAL 36 -0.719 -3.024 -1.401 276 HG22 VAL 36 1HG2 VAL 36 0.935 -3.541 -1.722 277 HG23 VAL 36 2HG2 VAL 36 0.456 -3.073 -0.089 278 H ASP 37 HN ASP 37 -0.069 -8.055 -2.570 279 HA ASP 37 HA ASP 37 -2.156 -9.321 -0.922 280 HB2 ASP 37 2HB ASP 37 -1.231 -10.126 -3.690 281 HB3 ASP 37 1HB ASP 37 -2.200 -11.166 -2.650 282 H LEU 38 HN LEU 38 -1.529 -11.119 0.232 283 HA LEU 38 HA LEU 38 1.374 -11.632 0.230 284 HB2 LEU 38 2HB LEU 38 -0.547 -11.752 2.555 285 HB3 LEU 38 1HB LEU 38 1.169 -12.104 2.627 286 HG LEU 38 HG LEU 38 -0.021 -9.405 1.971 287 HD11 LEU 38 1HD1 LEU 38 1.309 -10.434 4.474 288 HD12 LEU 38 2HD1 LEU 38 -0.390 -9.996 4.294 289 HD13 LEU 38 3HD1 LEU 38 0.857 -8.756 4.173 290 HD21 LEU 38 3HD2 LEU 38 2.280 -8.598 2.195 291 HD22 LEU 38 1HD2 LEU 38 2.136 -9.769 0.884 292 HD23 LEU 38 2HD2 LEU 38 2.839 -10.254 2.428 293 H GLU 39 HN GLU 39 2.093 -13.725 0.375 294 HA GLU 39 HA GLU 39 0.035 -15.827 0.520 295 HB2 GLU 39 2HB GLU 39 2.479 -15.657 -1.210 296 HB3 GLU 39 1HB GLU 39 1.811 -17.221 -0.758 297 HG2 GLU 39 2HG GLU 39 -0.354 -16.500 -1.720 298 HG3 GLU 39 1HG GLU 39 0.440 -15.032 -2.277 299 H GLY 40 HN GLY 40 0.665 -17.779 1.514 300 HA2 GLY 40 2HA GLY 40 2.826 -18.775 2.595 301 HA3 GLY 40 1HA GLY 40 2.672 -17.357 3.622 302 HA PRO 41 HA PRO 41 0.451 -20.876 5.682 303 HB2 PRO 41 2HB PRO 41 1.474 -19.493 8.078 304 HB3 PRO 41 1HB PRO 41 1.602 -21.193 7.620 305 HG2 PRO 41 2HG PRO 41 3.722 -19.558 7.541 306 HG3 PRO 41 1HG PRO 41 3.493 -20.850 6.347 307 HD2 PRO 41 2HD PRO 41 2.991 -17.912 6.082 308 HD3 PRO 41 1HD PRO 41 3.698 -19.044 4.912 309 H ARG 42 HN ARG 42 -1.657 -20.582 5.902 310 HA ARG 42 HA ARG 42 -2.875 -18.067 6.169 311 HB2 ARG 42 2HB ARG 42 -3.938 -20.861 6.451 312 HB3 ARG 42 1HB ARG 42 -4.967 -19.463 6.730 313 HG2 ARG 42 2HG ARG 42 -4.316 -18.668 4.428 314 HG3 ARG 42 1HG ARG 42 -3.572 -20.249 4.186 315 HD2 ARG 42 2HD ARG 42 -6.467 -19.788 4.899 316 HD3 ARG 42 1HD ARG 42 -5.866 -20.103 3.274 317 HE ARG 42 HE ARG 42 -4.923 -22.212 4.673 318 HH11 ARG 42 1HH1 ARG 42 -8.127 -20.797 4.424 319 HH12 ARG 42 2HH1 ARG 42 -8.945 -22.319 4.649 320 HH21 ARG 42 1HH2 ARG 42 -5.988 -24.186 4.968 321 HH22 ARG 42 2HH2 ARG 42 -7.730 -24.258 4.947 322 H GLY 43 HN GLY 43 -1.863 -20.394 8.576 323 HA2 GLY 43 2HA GLY 43 -3.241 -19.462 10.802 324 HA3 GLY 43 1HA GLY 43 -1.611 -20.118 10.847 325 H VAL 44 HN VAL 44 -0.140 -18.273 9.513 326 HA VAL 44 HA VAL 44 0.138 -16.160 11.386 327 HB VAL 44 HB VAL 44 1.318 -16.374 8.603 328 HG11 VAL 44 1HG1 VAL 44 3.014 -14.804 9.421 329 HG12 VAL 44 2HG1 VAL 44 2.143 -14.668 10.950 330 HG13 VAL 44 3HG1 VAL 44 1.398 -14.097 9.457 331 HG21 VAL 44 3HG2 VAL 44 3.340 -17.196 9.751 332 HG22 VAL 44 1HG2 VAL 44 1.962 -18.280 9.946 333 HG23 VAL 44 2HG2 VAL 44 2.443 -17.220 11.270 334 H LEU 45 HN LEU 45 -1.197 -16.382 8.132 335 HA LEU 45 HA LEU 45 -1.722 -13.697 7.639 336 HB2 LEU 45 2HB LEU 45 -3.339 -16.097 6.770 337 HB3 LEU 45 1HB LEU 45 -3.436 -14.499 6.056 338 HG LEU 45 HG LEU 45 -0.997 -16.282 6.008 339 HD11 LEU 45 1HD1 LEU 45 -2.972 -15.593 3.834 340 HD12 LEU 45 2HD1 LEU 45 -2.785 -17.164 4.612 341 HD13 LEU 45 3HD1 LEU 45 -1.483 -16.513 3.619 342 HD21 LEU 45 3HD2 LEU 45 -0.446 -13.901 5.999 343 HD22 LEU 45 1HD2 LEU 45 -1.547 -13.651 4.642 344 HD23 LEU 45 2HD2 LEU 45 -0.104 -14.647 4.437 345 H THR 46 HN THR 46 -3.678 -16.102 9.354 346 HA THR 46 HA THR 46 -5.976 -14.446 9.630 347 HB THR 46 HB THR 46 -5.223 -16.778 11.404 348 HG1 THR 46 1HG THR 46 -5.166 -17.321 9.125 349 HG21 THR 46 3HG2 THR 46 -7.893 -15.624 10.597 350 HG22 THR 46 1HG2 THR 46 -7.114 -15.419 12.167 351 HG23 THR 46 2HG2 THR 46 -7.644 -17.020 11.648 352 H VAL 47 HN VAL 47 -3.259 -15.218 11.818 353 HA VAL 47 HA VAL 47 -4.226 -13.815 14.055 354 HB VAL 47 HB VAL 47 -1.350 -14.328 13.261 355 HG11 VAL 47 1HG1 VAL 47 -0.825 -14.009 15.621 356 HG12 VAL 47 2HG1 VAL 47 -2.511 -13.626 15.956 357 HG13 VAL 47 3HG1 VAL 47 -1.548 -12.549 14.943 358 HG21 VAL 47 3HG2 VAL 47 -2.633 -16.389 13.453 359 HG22 VAL 47 1HG2 VAL 47 -3.227 -15.890 15.037 360 HG23 VAL 47 2HG2 VAL 47 -1.514 -16.237 14.808 361 H PHE 48 HN PHE 48 -2.156 -12.779 11.381 362 HA PHE 48 HA PHE 48 -1.757 -10.130 12.289 363 HB2 PHE 48 2HB PHE 48 -0.365 -11.254 10.562 364 HB3 PHE 48 1HB PHE 48 -1.728 -11.194 9.453 365 HD1 PHE 48 2HD PHE 48 0.617 -9.087 11.389 366 HD2 PHE 48 1HD PHE 48 -2.118 -9.304 8.137 367 HE1 PHE 48 2HE PHE 48 1.362 -6.871 10.623 368 HE2 PHE 48 1HE PHE 48 -1.377 -7.089 7.359 369 HZ PHE 48 HZ PHE 48 0.364 -5.870 8.607 370 H ARG 49 HN ARG 49 -4.237 -11.690 10.372 371 HA ARG 49 HA ARG 49 -5.532 -9.418 9.381 372 HB2 ARG 49 2HB ARG 49 -5.705 -11.905 8.725 373 HB3 ARG 49 1HB ARG 49 -6.892 -12.016 10.018 374 HG2 ARG 49 2HG ARG 49 -7.630 -9.796 8.549 375 HG3 ARG 49 1HG ARG 49 -7.162 -11.001 7.354 376 HD2 ARG 49 2HD ARG 49 -9.496 -11.276 7.797 377 HD3 ARG 49 1HD ARG 49 -8.638 -12.629 8.535 378 HE ARG 49 HE ARG 49 -9.056 -10.441 10.345 379 HH11 ARG 49 1HH1 ARG 49 -10.516 -13.295 8.955 380 HH12 ARG 49 2HH1 ARG 49 -11.663 -13.502 10.240 381 HH21 ARG 49 1HH2 ARG 49 -10.519 -10.714 12.066 382 HH22 ARG 49 2HH2 ARG 49 -11.655 -12.038 12.037 383 H PHE 50 HN PHE 50 -5.614 -10.936 12.511 384 HA PHE 50 HA PHE 50 -8.155 -9.973 13.332 385 HB2 PHE 50 2HB PHE 50 -5.765 -11.083 14.766 386 HB3 PHE 50 1HB PHE 50 -7.092 -10.376 15.671 387 HD1 PHE 50 1HD PHE 50 -9.493 -11.259 14.714 388 HD2 PHE 50 2HD PHE 50 -5.796 -13.360 14.627 389 HE1 PHE 50 1HE PHE 50 -10.713 -13.391 14.608 390 HE2 PHE 50 2HE PHE 50 -7.010 -15.499 14.514 391 HZ PHE 50 HZ PHE 50 -9.473 -15.514 14.505 392 H ALA 51 HN ALA 51 -4.945 -8.614 13.297 393 HA ALA 51 HA ALA 51 -5.618 -6.492 15.138 394 HB1 ALA 51 1HB ALA 51 -3.362 -7.439 15.152 395 HB2 ALA 51 2HB ALA 51 -3.335 -5.720 14.761 396 HB3 ALA 51 3HB ALA 51 -3.129 -6.919 13.483 397 H ARG 52 HN ARG 52 -5.884 -4.339 14.603 398 HA ARG 52 HA ARG 52 -6.909 -3.712 12.047 399 HB2 ARG 52 2HB ARG 52 -6.022 -1.958 14.332 400 HB3 ARG 52 1HB ARG 52 -6.860 -1.381 12.914 401 HG2 ARG 52 2HG ARG 52 -8.758 -2.881 13.488 402 HG3 ARG 52 1HG ARG 52 -7.913 -3.282 14.983 403 HD2 ARG 52 2HD ARG 52 -9.508 -1.581 15.490 404 HD3 ARG 52 1HD ARG 52 -7.907 -0.845 15.541 405 HE ARG 52 HE ARG 52 -9.160 -0.577 12.982 406 HH11 ARG 52 1HH1 ARG 52 -8.938 0.801 16.198 407 HH12 ARG 52 2HH1 ARG 52 -9.508 2.368 15.698 408 HH21 ARG 52 1HH2 ARG 52 -9.911 1.468 12.326 409 HH22 ARG 52 2HH2 ARG 52 -10.101 2.741 13.499 410 HA PRO 53 HA PRO 53 -3.510 -2.839 9.473 411 HB2 PRO 53 2HB PRO 53 -4.023 -0.088 8.967 412 HB3 PRO 53 1HB PRO 53 -4.427 -1.473 7.953 413 HG2 PRO 53 2HG PRO 53 -6.123 0.048 9.837 414 HG3 PRO 53 1HG PRO 53 -6.588 -0.888 8.408 415 HD2 PRO 53 2HD PRO 53 -7.075 -1.754 10.913 416 HD3 PRO 53 1HD PRO 53 -6.690 -2.872 9.585 417 H SER 54 HN SER 54 -1.546 -2.699 10.228 418 HA SER 54 HA SER 54 -0.702 -0.332 11.715 419 HB2 SER 54 2HB SER 54 0.124 -3.214 11.954 420 HB3 SER 54 1HB SER 54 0.957 -1.893 12.732 421 HG SER 54 HG SER 54 -1.794 -2.441 13.098 422 H TYR 55 HN TYR 55 -0.738 -1.361 8.809 423 HA TYR 55 HA TYR 55 2.126 -1.295 8.228 424 HB2 TYR 55 2HB TYR 55 1.141 -2.062 5.886 425 HB3 TYR 55 1HB TYR 55 1.433 -3.209 7.187 426 HD1 TYR 55 1HD TYR 55 -1.207 -1.264 5.460 427 HD2 TYR 55 2HD TYR 55 -0.336 -4.396 8.202 428 HE1 TYR 55 1HE TYR 55 -3.569 -1.957 5.414 429 HE2 TYR 55 2HE TYR 55 -2.688 -5.101 8.164 430 HH TYR 55 HH TYR 55 -4.959 -3.849 5.878 431 H GLU 56 HN GLU 56 2.920 -0.027 6.525 432 HA GLU 56 HA GLU 56 1.194 2.115 5.543 433 HB2 GLU 56 2HB GLU 56 2.205 2.869 7.700 434 HB3 GLU 56 1HB GLU 56 3.797 2.634 6.994 435 HG2 GLU 56 2HG GLU 56 3.331 4.341 5.327 436 HG3 GLU 56 1HG GLU 56 1.715 4.562 5.998 437 H VAL 57 HN VAL 57 1.883 2.972 3.587 438 HA VAL 57 HA VAL 57 4.340 1.804 2.444 439 HB VAL 57 HB VAL 57 1.819 2.515 0.917 440 HG11 VAL 57 1HG1 VAL 57 4.355 1.135 0.044 441 HG12 VAL 57 2HG1 VAL 57 3.850 2.768 -0.402 442 HG13 VAL 57 3HG1 VAL 57 2.919 1.373 -0.954 443 HG21 VAL 57 3HG2 VAL 57 1.431 0.558 2.304 444 HG22 VAL 57 1HG2 VAL 57 2.910 -0.186 1.700 445 HG23 VAL 57 2HG2 VAL 57 1.554 0.086 0.609 446 H PHE 58 HN PHE 58 5.819 3.301 1.863 447 HA PHE 58 HA PHE 58 4.979 5.942 1.038 448 HB2 PHE 58 2HB PHE 58 6.203 7.143 2.752 449 HB3 PHE 58 1HB PHE 58 5.025 6.086 3.516 450 HD1 PHE 58 2HD PHE 58 5.814 3.944 4.569 451 HD2 PHE 58 1HD PHE 58 8.501 6.958 3.218 452 HE1 PHE 58 2HE PHE 58 7.597 2.973 5.955 453 HE2 PHE 58 1HE PHE 58 10.290 5.990 4.605 454 HZ PHE 58 HZ PHE 58 9.838 3.995 5.975 455 H VAL 59 HN VAL 59 6.663 7.190 0.113 456 HA VAL 59 HA VAL 59 9.195 5.746 -0.315 457 HB VAL 59 HB VAL 59 7.858 7.460 -2.406 458 HG11 VAL 59 1HG1 VAL 59 10.261 7.416 -2.602 459 HG12 VAL 59 2HG1 VAL 59 9.532 6.491 -3.914 460 HG13 VAL 59 3HG1 VAL 59 10.259 5.653 -2.542 461 HG21 VAL 59 3HG2 VAL 59 7.974 4.455 -2.250 462 HG22 VAL 59 1HG2 VAL 59 7.399 5.387 -3.634 463 HG23 VAL 59 2HG2 VAL 59 6.528 5.454 -2.102 464 H ASP 60 HN ASP 60 10.993 6.948 -0.083 465 HA ASP 60 HA ASP 60 10.625 9.763 0.663 466 HB2 ASP 60 2HB ASP 60 11.527 8.610 2.523 467 HB3 ASP 60 1HB ASP 60 12.671 7.726 1.519 468 H LEU 61 HN LEU 61 11.213 11.161 -0.792 469 HA LEU 61 HA LEU 61 13.660 10.733 -2.341 470 HB2 LEU 61 2HB LEU 61 10.959 11.444 -3.492 471 HB3 LEU 61 1HB LEU 61 12.468 11.589 -4.373 472 HG LEU 61 HG LEU 61 11.459 8.975 -3.245 473 HD11 LEU 61 1HD1 LEU 61 9.862 9.737 -4.876 474 HD12 LEU 61 2HD1 LEU 61 10.838 8.442 -5.571 475 HD13 LEU 61 3HD1 LEU 61 11.154 10.121 -6.011 476 HD21 LEU 61 3HD2 LEU 61 13.584 9.631 -5.282 477 HD22 LEU 61 1HD2 LEU 61 13.084 8.012 -4.798 478 HD23 LEU 61 2HD2 LEU 61 13.866 9.081 -3.632 479 H THR 62 HN THR 62 13.175 12.273 -0.074 480 HA THR 62 HA THR 62 12.361 14.906 -0.503 481 HB THR 62 HB THR 62 13.901 15.281 1.591 482 HG1 THR 62 1HG THR 62 13.559 12.520 1.985 483 HG21 THR 62 3HG2 THR 62 12.141 14.360 3.023 484 HG22 THR 62 1HG2 THR 62 11.504 13.438 1.659 485 HG23 THR 62 2HG2 THR 62 11.450 15.200 1.636 486 H GLU 63 HN GLU 63 15.430 13.383 -1.167 487 HA GLU 63 HA GLU 63 16.722 15.987 -1.491 488 HB2 GLU 63 2HB GLU 63 17.844 13.194 -1.511 489 HB3 GLU 63 1HB GLU 63 18.791 14.626 -1.824 490 HG2 GLU 63 2HG GLU 63 18.134 15.442 0.408 491 HG3 GLU 63 1HG GLU 63 17.391 13.881 0.694 492 H ALA 64 HN ALA 64 14.791 14.263 -3.377 493 HA ALA 64 HA ALA 64 16.482 14.097 -5.730 494 HB1 ALA 64 1HB ALA 64 13.528 13.555 -5.475 495 HB2 ALA 64 2HB ALA 64 14.802 12.355 -5.267 496 HB3 ALA 64 3HB ALA 64 14.563 13.126 -6.835 497 H GLY 65 HN GLY 65 16.928 15.871 -6.806 498 HA2 GLY 65 2HA GLY 65 14.747 17.805 -7.291 499 HA3 GLY 65 1HA GLY 65 16.430 18.282 -7.102 500 H GLU 66 HN GLU 66 14.071 16.901 -9.171 501 HA GLU 66 HA GLU 66 15.626 17.301 -11.541 502 HB2 GLU 66 2HB GLU 66 16.020 14.877 -10.205 503 HB3 GLU 66 1HB GLU 66 14.861 14.484 -11.463 504 HG2 GLU 66 2HG GLU 66 17.503 15.842 -11.953 505 HG3 GLU 66 1HG GLU 66 17.226 14.107 -12.097 506 H GLY 67 HN GLY 67 14.239 15.736 -13.308 507 HA2 GLY 67 2HA GLY 67 11.555 16.800 -13.185 508 HA3 GLY 67 1HA GLY 67 12.230 15.801 -14.466 509 H SER 68 HN SER 68 10.612 14.268 -14.609 510 HA SER 68 HA SER 68 9.482 13.056 -12.292 511 HB2 SER 68 2HB SER 68 8.336 13.140 -14.496 512 HB3 SER 68 1HB SER 68 9.497 11.970 -15.114 513 HG SER 68 HG SER 68 7.263 11.562 -13.674 514 H HIS 69 HN HIS 69 10.018 11.263 -11.268 515 HA HIS 69 HA HIS 69 12.443 9.862 -12.104 516 HB2 HIS 69 2HB HIS 69 13.151 9.952 -9.615 517 HB3 HIS 69 1HB HIS 69 13.447 11.356 -10.631 518 HD1 HIS 69 1HD HIS 69 11.917 13.463 -10.211 519 HD2 HIS 69 2HD HIS 69 11.417 10.350 -7.496 520 HE1 HIS 69 1HE HIS 69 10.716 14.467 -8.246 521 HE2 HIS 69 2HE HIS 69 10.259 12.525 -6.710 522 H THR 70 HN THR 70 12.538 7.750 -11.612 523 HA THR 70 HA THR 70 10.123 6.616 -10.351 524 HB THR 70 HB THR 70 11.774 5.220 -12.448 525 HG1 THR 70 1HG THR 70 11.119 7.009 -13.550 526 HG21 THR 70 3HG2 THR 70 9.764 3.943 -12.828 527 HG22 THR 70 1HG2 THR 70 8.849 4.980 -11.730 528 HG23 THR 70 2HG2 THR 70 10.116 3.932 -11.101 529 H VAL 71 HN VAL 71 10.443 5.276 -8.651 530 HA VAL 71 HA VAL 71 13.081 4.025 -8.296 531 HB VAL 71 HB VAL 71 13.037 4.557 -5.871 532 HG11 VAL 71 1HG1 VAL 71 14.400 5.904 -7.382 533 HG12 VAL 71 2HG1 VAL 71 13.755 6.884 -6.066 534 HG13 VAL 71 3HG1 VAL 71 13.031 6.979 -7.672 535 HG21 VAL 71 3HG2 VAL 71 10.768 6.401 -6.615 536 HG22 VAL 71 1HG2 VAL 71 11.570 6.329 -5.044 537 HG23 VAL 71 2HG2 VAL 71 10.640 4.946 -5.625 538 H ASP 72 HN ASP 72 13.064 2.360 -6.571 539 HA ASP 72 HA ASP 72 10.810 0.614 -6.771 540 HB2 ASP 72 2HB ASP 72 13.168 -0.167 -6.549 541 HB3 ASP 72 1HB ASP 72 13.196 0.463 -4.907 542 H VAL 73 HN VAL 73 9.248 0.148 -5.246 543 HA VAL 73 HA VAL 73 8.818 2.281 -3.309 544 HB VAL 73 HB VAL 73 6.964 0.063 -4.195 545 HG11 VAL 73 1HG1 VAL 73 5.207 1.339 -3.070 546 HG12 VAL 73 2HG1 VAL 73 6.412 2.489 -2.493 547 HG13 VAL 73 3HG1 VAL 73 6.450 0.818 -1.934 548 HG21 VAL 73 3HG2 VAL 73 7.435 1.634 -5.978 549 HG22 VAL 73 1HG2 VAL 73 7.046 2.989 -4.917 550 HG23 VAL 73 2HG2 VAL 73 5.788 1.849 -5.392 551 H GLU 74 HN GLU 74 9.480 2.050 -1.324 552 HA GLU 74 HA GLU 74 9.839 -0.592 -0.168 553 HB2 GLU 74 2HB GLU 74 10.586 2.159 0.847 554 HB3 GLU 74 1HB GLU 74 10.939 0.652 1.687 555 HG2 GLU 74 2HG GLU 74 12.334 -0.085 -0.143 556 HG3 GLU 74 1HG GLU 74 11.911 1.347 -1.075 557 H HIS 75 HN HIS 75 8.949 -1.116 1.939 558 HA HIS 75 HA HIS 75 6.445 0.300 2.519 559 HB2 HIS 75 2HB HIS 75 5.356 -1.982 2.792 560 HB3 HIS 75 1HB HIS 75 5.682 -1.464 1.143 561 HD1 HIS 75 1HD HIS 75 7.054 -3.006 -0.281 562 HD2 HIS 75 2HD HIS 75 7.245 -3.988 3.754 563 HE1 HIS 75 1HE HIS 75 8.287 -5.184 -0.177 564 HE2 HIS 75 2HE HIS 75 8.634 -5.600 2.274 565 H ARG 76 HN ARG 76 5.616 0.027 4.623 566 HA ARG 76 HA ARG 76 7.530 -1.103 6.564 567 HB2 ARG 76 2HB ARG 76 6.845 1.612 6.189 568 HB3 ARG 76 1HB ARG 76 6.028 1.103 7.658 569 HG2 ARG 76 2HG ARG 76 8.966 0.681 7.167 570 HG3 ARG 76 1HG ARG 76 8.304 2.109 7.966 571 HD2 ARG 76 2HD ARG 76 7.347 0.715 9.709 572 HD3 ARG 76 1HD ARG 76 7.916 -0.738 8.887 573 HE ARG 76 HE ARG 76 10.173 0.736 9.284 574 HH11 ARG 76 1HH1 ARG 76 7.635 -0.432 11.402 575 HH12 ARG 76 2HH1 ARG 76 8.695 -0.651 12.762 576 HH21 ARG 76 1HH2 ARG 76 11.560 0.497 11.076 577 HH22 ARG 76 2HH2 ARG 76 10.920 -0.104 12.581 578 H GLY 77 HN GLY 77 6.548 -1.717 8.626 579 HA2 GLY 77 2HA GLY 77 4.515 -1.909 9.959 580 HA3 GLY 77 1HA GLY 77 3.638 -2.122 8.453 581 H PHE 78 HN PHE 78 3.812 -4.089 7.318 582 HA PHE 78 HA PHE 78 4.194 -6.365 9.029 583 HB2 PHE 78 2HB PHE 78 3.498 -7.672 7.022 584 HB3 PHE 78 1HB PHE 78 2.355 -6.408 7.453 585 HD1 PHE 78 2HD PHE 78 2.173 -4.381 6.062 586 HD2 PHE 78 1HD PHE 78 4.663 -7.647 4.947 587 HE1 PHE 78 2HE PHE 78 2.280 -3.508 3.765 588 HE2 PHE 78 1HE PHE 78 4.772 -6.780 2.647 589 HZ PHE 78 HZ PHE 78 3.582 -4.709 2.055 590 HA PRO 79 HA PRO 79 8.361 -7.157 7.739 591 HB2 PRO 79 2HB PRO 79 8.710 -9.553 8.875 592 HB3 PRO 79 1HB PRO 79 8.496 -8.099 9.857 593 HG2 PRO 79 2HG PRO 79 6.534 -10.250 9.196 594 HG3 PRO 79 1HG PRO 79 6.770 -9.373 10.717 595 HD2 PRO 79 2HD PRO 79 4.811 -8.811 8.826 596 HD3 PRO 79 1HD PRO 79 5.375 -7.689 10.079 597 H GLY 80 HN GLY 80 9.650 -8.700 6.496 598 HA2 GLY 80 2HA GLY 80 8.121 -9.776 4.284 599 HA3 GLY 80 1HA GLY 80 9.872 -9.701 4.407 600 H ASP 81 HN ASP 81 7.569 -11.157 6.645 601 HA ASP 81 HA ASP 81 9.044 -13.634 6.690 602 HB2 ASP 81 2HB ASP 81 7.857 -12.595 8.689 603 HB3 ASP 81 1HB ASP 81 6.352 -13.086 7.930 604 H LEU 82 HN LEU 82 6.044 -12.409 5.429 605 HA LEU 82 HA LEU 82 5.340 -14.983 4.247 606 HB2 LEU 82 2HB LEU 82 3.840 -12.357 4.267 607 HB3 LEU 82 1HB LEU 82 3.210 -13.904 3.735 608 HG LEU 82 HG LEU 82 4.111 -13.397 6.564 609 HD11 LEU 82 1HD1 LEU 82 1.327 -13.202 5.429 610 HD12 LEU 82 2HD1 LEU 82 2.307 -11.853 6.007 611 HD13 LEU 82 3HD1 LEU 82 1.767 -13.097 7.133 612 HD21 LEU 82 3HD2 LEU 82 2.357 -15.514 5.333 613 HD22 LEU 82 1HD2 LEU 82 2.752 -15.361 7.045 614 HD23 LEU 82 2HD2 LEU 82 4.022 -15.732 5.878 615 H ALA 83 HN ALA 83 4.377 -14.694 1.911 616 HA ALA 83 HA ALA 83 6.445 -13.488 0.287 617 HB1 ALA 83 1HB ALA 83 5.483 -15.639 -0.362 618 HB2 ALA 83 2HB ALA 83 5.206 -14.421 -1.608 619 HB3 ALA 83 3HB ALA 83 3.897 -14.886 -0.524 620 H VAL 84 HN VAL 84 6.431 -11.421 -0.185 621 HA VAL 84 HA VAL 84 3.961 -9.907 0.163 622 HB VAL 84 HB VAL 84 6.795 -8.899 -0.194 623 HG11 VAL 84 1HG1 VAL 84 5.910 -6.760 0.589 624 HG12 VAL 84 2HG1 VAL 84 4.289 -7.449 0.652 625 HG13 VAL 84 3HG1 VAL 84 5.114 -7.276 -0.897 626 HG21 VAL 84 3HG2 VAL 84 6.735 -8.440 2.211 627 HG22 VAL 84 1HG2 VAL 84 6.540 -10.162 1.880 628 HG23 VAL 84 2HG2 VAL 84 5.139 -9.184 2.313 629 H THR 85 HN THR 85 2.758 -9.521 -1.558 630 HA THR 85 HA THR 85 4.127 -9.098 -4.125 631 HB THR 85 HB THR 85 1.228 -9.768 -3.985 632 HG1 THR 85 1HG THR 85 2.206 -11.427 -2.775 633 HG21 THR 85 3HG2 THR 85 3.395 -10.412 -5.982 634 HG22 THR 85 1HG2 THR 85 2.236 -9.088 -6.115 635 HG23 THR 85 2HG2 THR 85 1.676 -10.759 -6.170 636 H VAL 86 HN VAL 86 4.063 -7.159 -4.833 637 HA VAL 86 HA VAL 86 1.778 -5.378 -4.304 638 HB VAL 86 HB VAL 86 4.129 -3.871 -4.942 639 HG11 VAL 86 1HG1 VAL 86 2.498 -4.008 -2.395 640 HG12 VAL 86 2HG1 VAL 86 2.205 -2.961 -3.783 641 HG13 VAL 86 3HG1 VAL 86 3.650 -2.734 -2.798 642 HG21 VAL 86 3HG2 VAL 86 4.544 -5.750 -2.620 643 HG22 VAL 86 1HG2 VAL 86 5.470 -4.270 -2.876 644 HG23 VAL 86 2HG2 VAL 86 5.535 -5.564 -4.070 645 H GLU 87 HN GLU 87 1.153 -4.218 -6.343 646 HA GLU 87 HA GLU 87 3.536 -4.042 -7.987 647 HB2 GLU 87 2HB GLU 87 2.184 -4.412 -10.080 648 HB3 GLU 87 1HB GLU 87 2.600 -5.816 -9.109 649 HG2 GLU 87 2HG GLU 87 0.365 -5.871 -8.186 650 HG3 GLU 87 1HG GLU 87 -0.059 -4.411 -9.082 651 HA PRO 88 HA PRO 88 3.605 -1.239 -10.037 652 HB2 PRO 88 2HB PRO 88 4.819 0.831 -8.765 653 HB3 PRO 88 1HB PRO 88 3.118 0.865 -9.214 654 HG2 PRO 88 2HG PRO 88 4.270 0.786 -6.560 655 HG3 PRO 88 1HG PRO 88 2.562 0.919 -7.003 656 HD2 PRO 88 2HD PRO 88 4.127 -1.492 -6.257 657 HD3 PRO 88 1HD PRO 88 2.375 -1.205 -6.141 658 H ARG 89 HN ARG 89 5.664 -1.978 -10.663 659 HA ARG 89 HA ARG 89 7.126 -3.220 -8.449 660 HB2 ARG 89 2HB ARG 89 7.851 -4.800 -9.856 661 HB3 ARG 89 1HB ARG 89 6.526 -4.238 -10.861 662 HG2 ARG 89 2HG ARG 89 7.983 -2.980 -12.221 663 HG3 ARG 89 1HG ARG 89 9.334 -3.219 -11.105 664 HD2 ARG 89 2HD ARG 89 9.234 -5.620 -11.501 665 HD3 ARG 89 1HD ARG 89 7.892 -5.374 -12.607 666 HE ARG 89 HE ARG 89 9.964 -3.810 -13.566 667 HH11 ARG 89 1HH1 ARG 89 9.373 -7.204 -12.964 668 HH12 ARG 89 2HH1 ARG 89 10.539 -7.755 -14.124 669 HH21 ARG 89 1HH2 ARG 89 11.510 -4.533 -15.108 670 HH22 ARG 89 2HH2 ARG 89 11.757 -6.234 -15.337 671 H MET 90 HN MET 90 7.198 -0.606 -10.555 672 HA MET 90 HA MET 90 9.318 0.597 -9.011 673 HB2 MET 90 2HB MET 90 10.289 -0.496 -11.192 674 HB3 MET 90 1HB MET 90 9.501 0.850 -12.005 675 HG2 MET 90 2HG MET 90 10.781 2.397 -10.541 676 HG3 MET 90 1HG MET 90 11.656 1.000 -9.917 677 HE1 MET 90 3HE MET 90 14.345 2.683 -12.193 678 HE2 MET 90 1HE MET 90 13.990 2.041 -10.592 679 HE3 MET 90 2HE MET 90 13.151 3.481 -11.168 680 H ALA 91 HN ALA 91 8.645 2.697 -8.576 681 HA ALA 91 HA ALA 91 6.256 3.536 -10.095 682 HB1 ALA 91 1HB ALA 91 5.672 2.691 -7.881 683 HB2 ALA 91 2HB ALA 91 5.308 4.408 -8.042 684 HB3 ALA 91 3HB ALA 91 6.733 3.889 -7.146 685 H ARG 92 HN ARG 92 5.924 5.663 -10.493 686 HA ARG 92 HA ARG 92 8.273 7.381 -10.162 687 HB2 ARG 92 2HB ARG 92 7.702 8.492 -12.166 688 HB3 ARG 92 1HB ARG 92 7.492 6.784 -12.510 689 HG2 ARG 92 2HG ARG 92 5.217 8.599 -11.746 690 HG3 ARG 92 1HG ARG 92 5.717 8.322 -13.413 691 HD2 ARG 92 2HD ARG 92 4.859 6.158 -11.492 692 HD3 ARG 92 1HD ARG 92 3.808 6.910 -12.692 693 HE ARG 92 HE ARG 92 5.885 6.049 -14.179 694 HH11 ARG 92 1HH1 ARG 92 3.762 4.452 -11.880 695 HH12 ARG 92 2HH1 ARG 92 3.952 2.895 -12.612 696 HH21 ARG 92 1HH2 ARG 92 6.103 4.007 -15.146 697 HH22 ARG 92 2HH2 ARG 92 5.269 2.634 -14.468 698 H VAL 93 HN VAL 93 8.057 9.422 -9.379 699 HA VAL 93 HA VAL 93 5.362 10.458 -8.933 700 HB VAL 93 HB VAL 93 6.058 9.593 -6.747 701 HG11 VAL 93 1HG1 VAL 93 8.453 9.645 -6.985 702 HG12 VAL 93 2HG1 VAL 93 7.982 10.582 -5.566 703 HG13 VAL 93 3HG1 VAL 93 8.441 11.407 -7.055 704 HG21 VAL 93 3HG2 VAL 93 4.691 11.607 -6.808 705 HG22 VAL 93 1HG2 VAL 93 6.144 12.605 -6.865 706 HG23 VAL 93 2HG2 VAL 93 5.792 11.636 -5.432 707 H GLN 94 HN GLN 94 5.157 12.547 -9.521 708 HA GLN 94 HA GLN 94 7.571 13.785 -10.631 709 HB2 GLN 94 2HB GLN 94 5.783 13.494 -12.223 710 HB3 GLN 94 1HB GLN 94 4.638 14.280 -11.151 711 HG2 GLN 94 2HG GLN 94 5.280 15.743 -12.969 712 HG3 GLN 94 1HG GLN 94 5.814 16.395 -11.428 713 HE21 GLN 94 1HE2 GLN 94 6.748 16.906 -14.134 714 HE22 GLN 94 2HE2 GLN 94 8.439 16.585 -14.100 715 H LEU 95 HN LEU 95 8.509 15.363 -9.609 716 HA LEU 95 HA LEU 95 6.926 16.992 -7.736 717 HB2 LEU 95 2HB LEU 95 9.887 16.377 -7.693 718 HB3 LEU 95 1HB LEU 95 9.067 17.456 -6.582 719 HG LEU 95 HG LEU 95 8.601 14.480 -6.814 720 HD11 LEU 95 1HD1 LEU 95 9.969 16.126 -4.686 721 HD12 LEU 95 2HD1 LEU 95 10.746 15.001 -5.803 722 HD13 LEU 95 3HD1 LEU 95 9.625 14.398 -4.583 723 HD21 LEU 95 3HD2 LEU 95 6.567 15.671 -6.196 724 HD22 LEU 95 1HD2 LEU 95 7.436 16.508 -4.907 725 HD23 LEU 95 2HD2 LEU 95 7.204 14.759 -4.825 726 H GLU 96 HN GLU 96 6.686 19.036 -8.280 727 HA GLU 96 HA GLU 96 8.657 20.360 -9.980 728 HB2 GLU 96 2HB GLU 96 6.591 19.253 -11.238 729 HB3 GLU 96 1HB GLU 96 5.771 20.700 -10.687 730 HG2 GLU 96 2HG GLU 96 8.337 20.834 -12.228 731 HG3 GLU 96 1HG GLU 96 6.776 20.696 -13.028 732 H GLU 97 HN GLU 97 8.708 22.577 -9.682 733 HA GLU 97 HA GLU 97 7.914 23.621 -7.211 734 HB2 GLU 97 2HB GLU 97 9.733 24.500 -8.707 735 HB3 GLU 97 1HB GLU 97 8.485 25.175 -9.743 736 HG2 GLU 97 2HG GLU 97 7.724 26.591 -7.912 737 HG3 GLU 97 1HG GLU 97 8.965 25.907 -6.862 738 H ARG 98 HN ARG 98 5.777 23.427 -6.746 739 HA ARG 98 HA ARG 98 3.805 25.001 -8.126 740 HB2 ARG 98 2HB ARG 98 4.242 22.790 -9.453 741 HB3 ARG 98 1HB ARG 98 3.372 22.021 -8.145 742 HG2 ARG 98 2HG ARG 98 1.863 22.402 -9.948 743 HG3 ARG 98 1HG ARG 98 1.438 23.498 -8.634 744 HD2 ARG 98 2HD ARG 98 1.349 24.662 -10.756 745 HD3 ARG 98 1HD ARG 98 2.661 25.301 -9.766 746 HE ARG 98 HE ARG 98 4.081 23.673 -11.186 747 HH11 ARG 98 1HH1 ARG 98 1.297 25.465 -12.330 748 HH12 ARG 98 2HH1 ARG 98 1.874 25.560 -13.969 749 HH21 ARG 98 1HH2 ARG 98 4.830 23.763 -13.312 750 HH22 ARG 98 2HH2 ARG 98 3.877 24.563 -14.536 751 H GLN 99 HN GLN 99 1.557 24.387 -7.130 752 HA GLN 99 HA GLN 99 1.777 22.895 -4.645 753 HB2 GLN 99 2HB GLN 99 1.958 25.366 -4.145 754 HB3 GLN 99 1HB GLN 99 0.314 25.532 -4.753 755 HG2 GLN 99 2HG GLN 99 -0.431 23.896 -3.065 756 HG3 GLN 99 1HG GLN 99 1.208 23.866 -2.420 757 HE21 GLN 99 1HE2 GLN 99 -1.278 24.634 -1.138 758 HE22 GLN 99 2HE2 GLN 99 -1.060 26.255 -0.578 759 H THR 100 HN THR 100 0.313 21.355 -4.690 760 HA THR 100 HA THR 100 -2.135 21.769 -6.280 761 HB THR 100 HB THR 100 -0.618 19.888 -6.952 762 HG1 THR 100 1HG THR 100 -2.314 18.614 -7.435 763 HG21 THR 100 3HG2 THR 100 -1.465 18.694 -4.311 764 HG22 THR 100 1HG2 THR 100 0.165 19.205 -4.744 765 HG23 THR 100 2HG2 THR 100 -0.587 17.850 -5.584 766 H VAL 101 HN VAL 101 -3.717 19.769 -5.202 767 HA VAL 101 HA VAL 101 -4.565 20.983 -2.734 768 HB VAL 101 HB VAL 101 -5.629 18.506 -4.106 769 HG11 VAL 101 1HG1 VAL 101 -6.826 20.216 -1.927 770 HG12 VAL 101 2HG1 VAL 101 -6.240 18.559 -1.758 771 HG13 VAL 101 3HG1 VAL 101 -7.651 18.899 -2.766 772 HG21 VAL 101 3HG2 VAL 101 -7.415 19.993 -4.922 773 HG22 VAL 101 1HG2 VAL 101 -5.827 20.437 -5.549 774 HG23 VAL 101 2HG2 VAL 101 -6.554 21.373 -4.243 775 H SER 102 HN SER 102 -3.017 20.614 -1.195 776 HA SER 102 HA SER 102 -1.919 18.011 -0.727 777 HB2 SER 102 2HB SER 102 -0.753 20.209 -0.232 778 HB3 SER 102 1HB SER 102 -1.849 20.393 1.137 779 HG SER 102 HG SER 102 0.326 18.714 0.810 780 H VAL 103 HN VAL 103 -3.100 16.439 0.097 781 HA VAL 103 HA VAL 103 -5.289 17.053 1.936 782 HB VAL 103 HB VAL 103 -4.598 14.443 0.570 783 HG11 VAL 103 1HG1 VAL 103 -5.810 14.070 2.639 784 HG12 VAL 103 2HG1 VAL 103 -6.852 13.738 1.255 785 HG13 VAL 103 3HG1 VAL 103 -7.037 15.243 2.158 786 HG21 VAL 103 3HG2 VAL 103 -5.274 16.136 -1.038 787 HG22 VAL 103 1HG2 VAL 103 -6.719 16.483 -0.089 788 HG23 VAL 103 2HG2 VAL 103 -6.531 14.911 -0.866 789 HA PRO 104 HA PRO 104 -2.512 15.751 5.225 790 HB2 PRO 104 2HB PRO 104 -4.780 16.365 6.966 791 HB3 PRO 104 1HB PRO 104 -3.186 17.117 6.908 792 HG2 PRO 104 2HG PRO 104 -5.416 18.401 6.091 793 HG3 PRO 104 1HG PRO 104 -3.829 18.679 5.345 794 HD2 PRO 104 2HD PRO 104 -6.115 16.993 4.376 795 HD3 PRO 104 1HD PRO 104 -5.057 18.089 3.459 796 H VAL 105 HN VAL 105 -2.388 13.566 5.062 797 HA VAL 105 HA VAL 105 -4.681 12.025 6.069 798 HB VAL 105 HB VAL 105 -4.230 11.363 3.809 799 HG11 VAL 105 1HG1 VAL 105 -1.369 10.907 4.645 800 HG12 VAL 105 2HG1 VAL 105 -1.958 12.182 3.578 801 HG13 VAL 105 3HG1 VAL 105 -2.063 10.494 3.077 802 HG21 VAL 105 3HG2 VAL 105 -3.692 8.985 4.086 803 HG22 VAL 105 1HG2 VAL 105 -4.815 9.560 5.319 804 HG23 VAL 105 2HG2 VAL 105 -3.115 9.316 5.720 805 H THR 106 HN THR 106 -4.440 11.420 8.097 806 HA THR 106 HA THR 106 -2.069 10.086 8.976 807 HB THR 106 HB THR 106 -1.283 12.397 9.174 808 HG1 THR 106 1HG THR 106 -0.716 10.801 10.805 809 HG21 THR 106 3HG2 THR 106 -3.668 12.779 10.977 810 HG22 THR 106 1HG2 THR 106 -3.392 13.556 9.417 811 HG23 THR 106 2HG2 THR 106 -2.344 13.933 10.788 812 H VAL 107 HN VAL 107 -2.361 8.964 10.867 813 HA VAL 107 HA VAL 107 -4.836 9.384 12.385 814 HB VAL 107 HB VAL 107 -5.071 6.912 12.661 815 HG11 VAL 107 1HG1 VAL 107 -6.512 8.085 11.110 816 HG12 VAL 107 2HG1 VAL 107 -6.100 6.494 10.470 817 HG13 VAL 107 3HG1 VAL 107 -5.301 7.932 9.835 818 HG21 VAL 107 3HG2 VAL 107 -2.823 6.215 12.081 819 HG22 VAL 107 1HG2 VAL 107 -3.044 6.797 10.430 820 HG23 VAL 107 2HG2 VAL 107 -3.992 5.430 11.016 821 H GLU 108 HN GLU 108 -4.619 8.929 14.612 822 HA GLU 108 HA GLU 108 -1.832 8.959 15.457 823 HB2 GLU 108 2HB GLU 108 -2.733 9.586 17.683 824 HB3 GLU 108 1HB GLU 108 -3.177 10.701 16.399 825 HG2 GLU 108 2HG GLU 108 -5.386 9.615 16.274 826 HG3 GLU 108 1HG GLU 108 -4.930 8.591 17.638 827 H MET 109 HN MET 109 -0.858 7.175 15.925 828 HA MET 109 HA MET 109 -2.400 4.852 16.817 829 HB2 MET 109 2HB MET 109 0.466 5.029 15.858 830 HB3 MET 109 1HB MET 109 -0.381 3.550 16.277 831 HG2 MET 109 2HG MET 109 -1.943 3.917 14.435 832 HG3 MET 109 1HG MET 109 -1.093 5.404 14.017 833 HE1 MET 109 3HE MET 109 -0.119 2.992 11.087 834 HE2 MET 109 1HE MET 109 -0.878 4.518 11.534 835 HE3 MET 109 2HE MET 109 -1.662 2.993 11.940 836 H ILE 110 HN ILE 110 -2.647 4.930 18.970 837 HA ILE 110 HA ILE 110 -0.199 5.252 20.564 838 HB ILE 110 HB ILE 110 -1.618 7.174 20.955 839 HG12 ILE 110 2HG1 ILE 110 -1.780 5.245 23.281 840 HG13 ILE 110 1HG1 ILE 110 -0.373 6.214 22.862 841 HG21 ILE 110 1HG2 ILE 110 -3.753 6.213 20.265 842 HG22 ILE 110 2HG2 ILE 110 -3.877 6.984 21.846 843 HG23 ILE 110 3HG2 ILE 110 -3.787 5.227 21.727 844 HD11 ILE 110 3HD1 ILE 110 -1.663 8.250 23.278 845 HD12 ILE 110 1HD1 ILE 110 -1.586 7.210 24.700 846 HD13 ILE 110 2HD1 ILE 110 -3.054 7.263 23.726 847 H ASN 111 HN ASN 111 0.303 3.631 21.873 848 HA ASN 111 HA ASN 111 -1.708 1.845 22.934 849 HB2 ASN 111 2HB ASN 111 -1.185 0.790 20.772 850 HB3 ASN 111 1HB ASN 111 0.529 0.811 21.168 851 HD21 ASN 111 1HD2 ASN 111 0.675 -1.418 20.964 852 HD22 ASN 111 2HD2 ASN 111 0.042 -2.502 22.164 853 H LEU 112 HN LEU 112 -1.149 1.203 24.919 854 HA LEU 112 HA LEU 112 1.591 1.811 25.790 855 HB2 LEU 112 2HB LEU 112 0.479 1.753 28.124 856 HB3 LEU 112 1HB LEU 112 0.258 3.156 27.102 857 HG LEU 112 HG LEU 112 -1.969 2.099 26.407 858 HD11 LEU 112 1HD1 LEU 112 -1.480 0.486 28.903 859 HD12 LEU 112 2HD1 LEU 112 -1.513 -0.152 27.261 860 HD13 LEU 112 3HD1 LEU 112 -2.972 0.542 27.965 861 HD21 LEU 112 3HD2 LEU 112 -3.106 2.974 28.392 862 HD22 LEU 112 1HD2 LEU 112 -1.814 4.045 27.849 863 HD23 LEU 112 2HD2 LEU 112 -1.566 3.005 29.254 864 H GLU 113 HN GLU 113 -0.257 -0.738 24.909 865 HA GLU 113 HA GLU 113 -0.157 -2.985 25.175 866 HB2 GLU 113 2HB GLU 113 2.631 -2.098 25.802 867 HB3 GLU 113 1HB GLU 113 2.201 -3.791 26.005 868 HG2 GLU 113 2HG GLU 113 1.904 -2.210 23.458 869 HG3 GLU 113 1HG GLU 113 3.215 -3.332 23.820 870 H HIS 114 HN HIS 114 1.339 -4.517 27.081 871 HA HIS 114 HA HIS 114 -0.280 -3.956 29.461 872 HB2 HIS 114 2HB HIS 114 1.069 -6.532 28.603 873 HB3 HIS 114 1HB HIS 114 0.078 -6.326 30.046 874 HD1 HIS 114 1HD HIS 114 -0.864 -8.434 28.150 875 HD2 HIS 114 2HD HIS 114 -1.999 -4.451 27.782 876 HE1 HIS 114 1HE HIS 114 -2.985 -8.452 26.799 877 HE2 HIS 114 2HE HIS 114 -3.756 -6.050 26.768 878 H HIS 115 HN HIS 115 0.665 -3.631 31.417 879 HA HIS 115 HA HIS 115 3.341 -2.689 31.391 880 HB2 HIS 115 2HB HIS 115 1.408 -3.154 33.661 881 HB3 HIS 115 1HB HIS 115 2.998 -2.430 33.876 882 HD1 HIS 115 1HD HIS 115 -0.456 -1.622 33.045 883 HD2 HIS 115 2HD HIS 115 3.280 0.109 32.447 884 HE1 HIS 115 1HE HIS 115 -0.907 0.771 32.422 885 HE2 HIS 115 2HE HIS 115 1.365 1.849 32.320 886 H HIS 116 HN HIS 116 5.143 -3.438 32.512 887 HA HIS 116 HA HIS 116 6.625 -4.934 33.367 888 HB2 HIS 116 2HB HIS 116 4.779 -5.558 34.967 889 HB3 HIS 116 1HB HIS 116 4.307 -6.821 33.841 890 HD1 HIS 116 1HD HIS 116 4.801 -8.684 35.518 891 HD2 HIS 116 2HD HIS 116 8.095 -6.293 34.648 892 HE1 HIS 116 1HE HIS 116 6.792 -9.894 36.470 893 HE2 HIS 116 2HE HIS 116 8.786 -8.533 35.749 894 H HIS 117 HN HIS 117 4.969 -5.100 30.659 895 HA HIS 117 HA HIS 117 6.537 -7.366 29.626 896 HB2 HIS 117 2HB HIS 117 4.225 -7.880 29.286 897 HB3 HIS 117 1HB HIS 117 3.873 -6.250 28.733 898 HD1 HIS 117 1HD HIS 117 5.588 -9.429 27.574 899 HD2 HIS 117 2HD HIS 117 4.120 -5.850 26.041 900 HE1 HIS 117 1HE HIS 117 5.649 -9.683 25.073 901 HE2 HIS 117 2HE HIS 117 4.551 -7.596 24.182 902 H HIS 118 HN HIS 118 8.386 -6.338 29.062 903 HA HIS 118 HA HIS 118 8.397 -4.570 26.828 904 HB2 HIS 118 2HB HIS 118 7.727 -3.047 28.737 905 HB3 HIS 118 1HB HIS 118 9.295 -3.380 29.464 906 HD1 HIS 118 1HD HIS 118 11.315 -2.155 28.525 907 HD2 HIS 118 2HD HIS 118 7.813 -1.466 26.385 908 HE1 HIS 118 1HE HIS 118 11.825 -0.227 26.985 909 HE2 HIS 118 2HE HIS 118 9.626 0.305 25.862 910 H HIS 119 HN HIS 119 10.392 -4.541 25.872 911 HA HIS 119 HA HIS 119 12.531 -6.012 27.237 912 HB2 HIS 119 2HB HIS 119 11.927 -5.466 24.351 913 HB3 HIS 119 1HB HIS 119 13.575 -5.841 24.844 914 HD1 HIS 119 1HD HIS 119 14.157 -8.238 25.077 915 HD2 HIS 119 2HD HIS 119 10.045 -7.612 24.986 916 HE1 HIS 119 1HE HIS 119 13.124 -10.531 24.965 917 HE2 HIS 119 2HE HIS 119 10.638 -10.133 25.084 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -11.360 -30.116 10.217 2 H2 MET 1 H2 MET 1 -10.200 -31.124 9.512 3 H3 MET 1 H3 MET 1 -10.292 -29.493 9.057 4 HA MET 1 HA MET 1 -9.775 -28.883 11.385 5 HB2 MET 1 2HB MET 1 -9.291 -31.851 11.548 6 HB3 MET 1 1HB MET 1 -8.549 -30.713 12.662 7 HG2 MET 1 2HG MET 1 -10.528 -31.699 13.637 8 HG3 MET 1 1HG MET 1 -10.759 -29.972 13.382 9 HE1 MET 1 2HE MET 1 -14.357 -31.454 12.858 10 HE2 MET 1 3HE MET 1 -13.354 -30.357 13.807 11 HE3 MET 1 1HE MET 1 -13.141 -32.099 13.963 12 HA PRO 2 HA PRO 2 -5.327 -30.402 9.917 13 HB2 PRO 2 2HB PRO 2 -5.414 -31.181 7.237 14 HB3 PRO 2 1HB PRO 2 -5.190 -32.250 8.624 15 HG2 PRO 2 2HG PRO 2 -7.664 -31.637 7.083 16 HG3 PRO 2 1HG PRO 2 -7.141 -33.165 7.810 17 HD2 PRO 2 2HD PRO 2 -9.040 -31.671 8.944 18 HD3 PRO 2 1HD PRO 2 -7.847 -32.544 9.931 19 H THR 3 HN THR 3 -7.043 -29.618 6.904 20 HA THR 3 HA THR 3 -6.856 -27.965 5.396 21 HB THR 3 HB THR 3 -6.755 -25.593 6.290 22 HG1 THR 3 1HG THR 3 -5.941 -26.788 8.476 23 HG21 THR 3 3HG2 THR 3 -8.844 -26.751 5.751 24 HG22 THR 3 1HG2 THR 3 -9.037 -25.681 7.140 25 HG23 THR 3 2HG2 THR 3 -8.891 -27.422 7.382 26 H PHE 4 HN PHE 4 -5.271 -27.745 4.021 27 HA PHE 4 HA PHE 4 -2.554 -27.748 4.627 28 HB2 PHE 4 2HB PHE 4 -3.533 -28.249 2.422 29 HB3 PHE 4 1HB PHE 4 -3.857 -26.544 2.216 30 HD1 PHE 4 2HD PHE 4 -0.978 -28.729 3.106 31 HD2 PHE 4 1HD PHE 4 -2.408 -25.401 0.880 32 HE1 PHE 4 2HE PHE 4 1.247 -28.459 2.089 33 HE2 PHE 4 1HE PHE 4 -0.192 -25.128 -0.150 34 HZ PHE 4 HZ PHE 4 1.640 -26.662 0.456 35 H ASP 5 HN ASP 5 -1.207 -26.270 5.320 36 HA ASP 5 HA ASP 5 -2.423 -23.800 6.243 37 HB2 ASP 5 2HB ASP 5 -1.106 -25.250 7.787 38 HB3 ASP 5 1HB ASP 5 0.340 -24.847 6.869 39 H HIS 6 HN HIS 6 -2.290 -23.497 3.687 40 HA HIS 6 HA HIS 6 -0.390 -21.290 3.470 41 HB2 HIS 6 2HB HIS 6 -0.717 -23.494 1.443 42 HB3 HIS 6 1HB HIS 6 -0.192 -21.887 0.960 43 HD1 HIS 6 1HD HIS 6 2.216 -21.244 1.435 44 HD2 HIS 6 2HD HIS 6 1.148 -24.934 3.030 45 HE1 HIS 6 1HE HIS 6 4.366 -22.318 2.169 46 HE2 HIS 6 2HE HIS 6 3.714 -24.640 2.897 47 H GLY 7 HN GLY 7 -1.454 -19.502 2.987 48 HA2 GLY 7 2HA GLY 7 -3.887 -19.698 1.366 49 HA3 GLY 7 1HA GLY 7 -4.035 -19.032 2.988 50 H ASN 8 HN ASN 8 -4.871 -17.222 1.632 51 HA ASN 8 HA ASN 8 -2.665 -15.408 0.933 52 HB2 ASN 8 2HB ASN 8 -5.284 -15.606 -0.574 53 HB3 ASN 8 1HB ASN 8 -3.936 -14.542 -0.949 54 HD21 ASN 8 1HD2 ASN 8 -2.168 -15.342 -2.019 55 HD22 ASN 8 2HD2 ASN 8 -2.132 -16.917 -2.731 56 H LEU 9 HN LEU 9 -3.114 -13.219 1.279 57 HA LEU 9 HA LEU 9 -5.668 -12.462 2.445 58 HB2 LEU 9 2HB LEU 9 -4.227 -13.190 4.351 59 HB3 LEU 9 1HB LEU 9 -3.060 -11.964 3.892 60 HG LEU 9 HG LEU 9 -4.708 -10.204 4.367 61 HD11 LEU 9 1HD1 LEU 9 -6.809 -10.800 5.524 62 HD12 LEU 9 2HD1 LEU 9 -6.476 -12.504 5.207 63 HD13 LEU 9 3HD1 LEU 9 -6.756 -11.397 3.863 64 HD21 LEU 9 3HD2 LEU 9 -4.758 -10.470 6.799 65 HD22 LEU 9 1HD2 LEU 9 -3.191 -10.928 6.133 66 HD23 LEU 9 2HD2 LEU 9 -4.339 -12.172 6.625 67 H SER 10 HN SER 10 -6.241 -10.548 1.616 68 HA SER 10 HA SER 10 -4.209 -9.125 0.062 69 HB2 SER 10 2HB SER 10 -6.642 -10.024 -0.725 70 HB3 SER 10 1HB SER 10 -7.064 -8.386 -0.224 71 HG SER 10 HG SER 10 -5.020 -9.116 -2.066 72 H LEU 11 HN LEU 11 -3.535 -7.148 0.656 73 HA LEU 11 HA LEU 11 -4.662 -5.966 3.052 74 HB2 LEU 11 2HB LEU 11 -2.366 -5.060 1.316 75 HB3 LEU 11 1HB LEU 11 -2.790 -4.382 2.875 76 HG LEU 11 HG LEU 11 -1.799 -7.193 2.372 77 HD11 LEU 11 1HD1 LEU 11 -0.475 -4.830 3.691 78 HD12 LEU 11 2HD1 LEU 11 -0.072 -5.498 2.109 79 HD13 LEU 11 3HD1 LEU 11 0.194 -6.457 3.565 80 HD21 LEU 11 3HD2 LEU 11 -3.353 -7.143 4.232 81 HD22 LEU 11 1HD2 LEU 11 -2.476 -5.790 4.950 82 HD23 LEU 11 2HD2 LEU 11 -1.701 -7.367 4.812 83 H GLY 12 HN GLY 12 -4.640 -5.417 -0.383 84 HA2 GLY 12 2HA GLY 12 -6.559 -4.307 -1.351 85 HA3 GLY 12 1HA GLY 12 -6.565 -3.227 0.036 86 H GLU 13 HN GLU 13 -6.693 -1.668 -1.875 87 HA GLU 13 HA GLU 13 -4.186 -1.139 -3.216 88 HB2 GLU 13 2HB GLU 13 -6.784 0.393 -3.096 89 HB3 GLU 13 1HB GLU 13 -5.383 0.938 -4.003 90 HG2 GLU 13 2HG GLU 13 -5.516 -1.262 -5.251 91 HG3 GLU 13 1HG GLU 13 -7.094 -1.474 -4.489 92 H LEU 14 HN LEU 14 -2.562 -0.242 -2.152 93 HA LEU 14 HA LEU 14 -3.145 1.636 0.011 94 HB2 LEU 14 2HB LEU 14 -0.614 0.243 -0.837 95 HB3 LEU 14 1HB LEU 14 -0.640 1.515 0.369 96 HG LEU 14 HG LEU 14 -2.063 -1.134 0.567 97 HD11 LEU 14 1HD1 LEU 14 -0.482 -1.586 2.364 98 HD12 LEU 14 2HD1 LEU 14 0.302 -0.034 2.080 99 HD13 LEU 14 3HD1 LEU 14 0.364 -1.292 0.844 100 HD21 LEU 14 3HD2 LEU 14 -2.639 -0.437 2.830 101 HD22 LEU 14 1HD2 LEU 14 -3.330 0.658 1.632 102 HD23 LEU 14 2HD2 LEU 14 -1.897 1.136 2.542 103 H GLU 15 HN GLU 15 -2.885 3.732 -0.190 104 HA GLU 15 HA GLU 15 -2.105 4.858 -2.721 105 HB2 GLU 15 2HB GLU 15 -2.926 6.146 -0.107 106 HB3 GLU 15 1HB GLU 15 -2.630 7.029 -1.604 107 HG2 GLU 15 2HG GLU 15 -4.454 5.882 -2.690 108 HG3 GLU 15 1HG GLU 15 -4.699 4.862 -1.276 109 H LEU 16 HN LEU 16 -0.204 5.832 -3.211 110 HA LEU 16 HA LEU 16 1.990 5.021 -1.514 111 HB2 LEU 16 2HB LEU 16 1.768 4.803 -4.087 112 HB3 LEU 16 1HB LEU 16 2.235 6.488 -4.124 113 HG LEU 16 HG LEU 16 4.097 4.882 -4.549 114 HD11 LEU 16 1HD1 LEU 16 4.389 6.637 -2.119 115 HD12 LEU 16 2HD1 LEU 16 4.599 7.123 -3.802 116 HD13 LEU 16 3HD1 LEU 16 5.717 5.973 -3.069 117 HD21 LEU 16 3HD2 LEU 16 5.054 3.687 -2.638 118 HD22 LEU 16 1HD2 LEU 16 3.434 3.119 -3.036 119 HD23 LEU 16 2HD2 LEU 16 3.678 4.182 -1.650 120 H THR 17 HN THR 17 2.769 6.284 0.003 121 HA THR 17 HA THR 17 2.293 9.153 -0.073 122 HB THR 17 HB THR 17 3.638 7.503 2.080 123 HG1 THR 17 1HG THR 17 1.206 7.273 1.341 124 HG21 THR 17 3HG2 THR 17 2.378 10.252 2.176 125 HG22 THR 17 1HG2 THR 17 4.110 9.917 2.199 126 HG23 THR 17 2HG2 THR 17 3.092 9.390 3.539 127 H VAL 18 HN VAL 18 3.750 10.542 -0.824 128 HA VAL 18 HA VAL 18 6.528 9.630 -1.140 129 HB VAL 18 HB VAL 18 5.123 11.908 -2.557 130 HG11 VAL 18 1HG1 VAL 18 7.500 12.289 -2.339 131 HG12 VAL 18 2HG1 VAL 18 7.100 11.909 -4.015 132 HG13 VAL 18 3HG1 VAL 18 7.846 10.684 -2.986 133 HG21 VAL 18 3HG2 VAL 18 4.197 9.784 -3.260 134 HG22 VAL 18 1HG2 VAL 18 5.818 9.137 -3.530 135 HG23 VAL 18 2HG2 VAL 18 5.210 10.449 -4.540 136 H LEU 19 HN LEU 19 8.027 10.487 0.135 137 HA LEU 19 HA LEU 19 7.365 12.799 1.774 138 HB2 LEU 19 2HB LEU 19 9.855 11.080 1.735 139 HB3 LEU 19 1HB LEU 19 9.497 12.329 2.913 140 HG LEU 19 HG LEU 19 7.922 9.780 2.534 141 HD11 LEU 19 1HD1 LEU 19 8.863 9.099 4.659 142 HD12 LEU 19 2HD1 LEU 19 9.791 10.595 4.752 143 HD13 LEU 19 3HD1 LEU 19 10.152 9.413 3.495 144 HD21 LEU 19 3HD2 LEU 19 6.768 10.438 4.587 145 HD22 LEU 19 1HD2 LEU 19 6.522 11.627 3.307 146 HD23 LEU 19 2HD2 LEU 19 7.663 11.956 4.609 147 H TYR 20 HN TYR 20 7.819 14.779 1.094 148 HA TYR 20 HA TYR 20 10.234 15.231 -0.494 149 HB2 TYR 20 2HB TYR 20 9.056 16.579 -2.135 150 HB3 TYR 20 1HB TYR 20 8.374 14.958 -2.098 151 HD1 TYR 20 1HD TYR 20 6.248 14.692 -0.520 152 HD2 TYR 20 2HD TYR 20 7.627 18.383 -2.136 153 HE1 TYR 20 1HE TYR 20 4.006 15.657 -0.225 154 HE2 TYR 20 2HE TYR 20 5.390 19.354 -1.838 155 HH TYR 20 HH TYR 20 3.051 18.576 -1.663 156 H ASP 21 HN ASP 21 8.304 16.023 2.048 157 HA ASP 21 HA ASP 21 8.265 17.684 3.582 158 HB2 ASP 21 2HB ASP 21 10.824 17.295 3.228 159 HB3 ASP 21 1HB ASP 21 10.772 18.857 2.413 160 H GLU 22 HN GLU 22 9.237 20.362 3.330 161 HA GLU 22 HA GLU 22 7.387 21.424 1.295 162 HB2 GLU 22 2HB GLU 22 8.219 22.700 3.909 163 HB3 GLU 22 1HB GLU 22 6.997 23.292 2.792 164 HG2 GLU 22 2HG GLU 22 5.594 21.381 3.257 165 HG3 GLU 22 1HG GLU 22 6.838 20.692 4.298 166 H GLU 23 HN GLU 23 10.098 20.673 0.897 167 HA GLU 23 HA GLU 23 12.070 22.551 1.276 168 HB2 GLU 23 2HB GLU 23 11.647 20.677 -1.056 169 HB3 GLU 23 1HB GLU 23 13.144 21.538 -0.741 170 HG2 GLU 23 2HG GLU 23 11.898 19.632 1.216 171 HG3 GLU 23 1HG GLU 23 13.085 19.151 0.005 172 H ARG 24 HN ARG 24 10.554 22.077 -1.875 173 HA ARG 24 HA ARG 24 9.867 24.830 -2.241 174 HB2 ARG 24 2HB ARG 24 12.500 24.448 -2.523 175 HB3 ARG 24 1HB ARG 24 11.992 24.018 -4.148 176 HG2 ARG 24 2HG ARG 24 10.914 26.186 -4.398 177 HG3 ARG 24 1HG ARG 24 11.402 26.623 -2.759 178 HD2 ARG 24 2HD ARG 24 13.781 26.200 -3.496 179 HD3 ARG 24 1HD ARG 24 13.161 26.114 -5.144 180 HE ARG 24 HE ARG 24 12.351 28.503 -3.800 181 HH11 ARG 24 1HH1 ARG 24 14.963 26.982 -5.571 182 HH12 ARG 24 2HH1 ARG 24 15.686 28.490 -6.046 183 HH21 ARG 24 1HH2 ARG 24 13.314 30.492 -4.422 184 HH22 ARG 24 2HH2 ARG 24 14.767 30.473 -5.384 185 H TYR 25 HN TYR 25 9.153 21.839 -2.732 186 HA TYR 25 HA TYR 25 8.226 22.150 -5.490 187 HB2 TYR 25 2HB TYR 25 9.420 19.617 -4.338 188 HB3 TYR 25 1HB TYR 25 8.809 19.832 -5.974 189 HD1 TYR 25 2HD TYR 25 10.041 21.370 -7.535 190 HD2 TYR 25 1HD TYR 25 11.641 20.198 -3.776 191 HE1 TYR 25 2HE TYR 25 12.283 22.038 -8.289 192 HE2 TYR 25 1HE TYR 25 13.890 20.860 -4.516 193 HH TYR 25 HH TYR 25 14.429 22.700 -7.357 194 H ASP 26 HN ASP 26 6.418 20.734 -6.005 195 HA ASP 26 HA ASP 26 5.133 19.433 -3.723 196 HB2 ASP 26 2HB ASP 26 4.065 21.667 -4.023 197 HB3 ASP 26 1HB ASP 26 3.629 21.205 -5.663 198 H ILE 27 HN ILE 27 3.401 17.921 -4.468 199 HA ILE 27 HA ILE 27 4.565 16.323 -6.582 200 HB ILE 27 HB ILE 27 2.185 15.744 -4.815 201 HG12 ILE 27 2HG1 ILE 27 5.058 14.804 -4.616 202 HG13 ILE 27 1HG1 ILE 27 4.296 15.983 -3.557 203 HG21 ILE 27 1HG2 ILE 27 2.122 14.478 -6.896 204 HG22 ILE 27 2HG2 ILE 27 2.483 13.418 -5.533 205 HG23 ILE 27 3HG2 ILE 27 3.775 13.927 -6.620 206 HD11 ILE 27 3HD1 ILE 27 3.516 13.091 -3.831 207 HD12 ILE 27 1HD1 ILE 27 2.743 14.268 -2.769 208 HD13 ILE 27 2HD1 ILE 27 4.424 13.804 -2.499 209 H VAL 28 HN VAL 28 4.080 16.925 -8.590 210 HA VAL 28 HA VAL 28 1.441 17.858 -9.310 211 HB VAL 28 HB VAL 28 3.792 17.174 -11.092 212 HG11 VAL 28 1HG1 VAL 28 1.251 18.685 -11.701 213 HG12 VAL 28 2HG1 VAL 28 1.685 17.087 -12.308 214 HG13 VAL 28 3HG1 VAL 28 2.622 18.500 -12.794 215 HG21 VAL 28 3HG2 VAL 28 4.155 19.587 -11.206 216 HG22 VAL 28 1HG2 VAL 28 4.300 18.992 -9.553 217 HG23 VAL 28 2HG2 VAL 28 2.840 19.843 -10.059 218 H GLU 29 HN GLU 29 3.445 15.012 -9.949 219 HA GLU 29 HA GLU 29 0.998 13.476 -10.473 220 HB2 GLU 29 2HB GLU 29 3.510 13.555 -12.134 221 HB3 GLU 29 1HB GLU 29 2.430 12.171 -12.168 222 HG2 GLU 29 2HG GLU 29 1.452 14.946 -12.729 223 HG3 GLU 29 1HG GLU 29 2.168 13.935 -13.983 224 H GLN 30 HN GLN 30 1.207 11.205 -9.988 225 HA GLN 30 HA GLN 30 3.587 10.269 -8.662 226 HB2 GLN 30 2HB GLN 30 2.549 9.941 -6.470 227 HB3 GLN 30 1HB GLN 30 2.562 11.647 -6.894 228 HG2 GLN 30 2HG GLN 30 0.199 11.405 -7.643 229 HG3 GLN 30 1HG GLN 30 0.222 9.759 -7.014 230 HE21 GLN 30 1HE2 GLN 30 0.154 13.125 -6.238 231 HE22 GLN 30 2HE2 GLN 30 -0.186 12.943 -4.554 232 H THR 31 HN THR 31 2.790 8.103 -7.389 233 HA THR 31 HA THR 31 1.194 6.600 -9.324 234 HB THR 31 HB THR 31 2.790 5.537 -6.983 235 HG1 THR 31 1HG THR 31 3.719 6.635 -9.147 236 HG21 THR 31 3HG2 THR 31 1.642 4.161 -9.418 237 HG22 THR 31 1HG2 THR 31 1.032 4.021 -7.768 238 HG23 THR 31 2HG2 THR 31 2.630 3.396 -8.174 239 H GLU 32 HN GLU 32 -0.911 6.529 -8.926 240 HA GLU 32 HA GLU 32 -2.116 7.568 -6.657 241 HB2 GLU 32 2HB GLU 32 -3.193 5.697 -8.754 242 HB3 GLU 32 1HB GLU 32 -4.195 6.440 -7.517 243 HG2 GLU 32 2HG GLU 32 -2.580 7.901 -9.595 244 HG3 GLU 32 1HG GLU 32 -4.327 7.658 -9.614 245 H THR 33 HN THR 33 -2.270 4.104 -7.554 246 HA THR 33 HA THR 33 -2.050 3.462 -4.708 247 HB THR 33 HB THR 33 -3.896 1.717 -5.082 248 HG1 THR 33 1HG THR 33 -5.176 1.935 -6.812 249 HG21 THR 33 3HG2 THR 33 -5.675 3.325 -4.544 250 HG22 THR 33 1HG2 THR 33 -4.625 4.650 -5.045 251 HG23 THR 33 2HG2 THR 33 -4.198 3.668 -3.644 252 H VAL 34 HN VAL 34 -1.259 1.434 -4.236 253 HA VAL 34 HA VAL 34 -0.483 -0.264 -6.516 254 HB VAL 34 HB VAL 34 1.428 -1.063 -5.064 255 HG11 VAL 34 1HG1 VAL 34 1.827 0.392 -6.945 256 HG12 VAL 34 2HG1 VAL 34 2.880 0.852 -5.606 257 HG13 VAL 34 3HG1 VAL 34 1.444 1.812 -5.970 258 HG21 VAL 34 3HG2 VAL 34 0.757 1.428 -3.496 259 HG22 VAL 34 1HG2 VAL 34 2.217 0.454 -3.299 260 HG23 VAL 34 2HG2 VAL 34 0.638 -0.234 -2.918 261 H GLN 35 HN GLN 35 -0.588 -2.504 -6.172 262 HA GLN 35 HA GLN 35 -2.462 -3.253 -4.042 263 HB2 GLN 35 2HB GLN 35 -3.188 -3.747 -6.341 264 HB3 GLN 35 1HB GLN 35 -1.735 -4.702 -6.599 265 HG2 GLN 35 2HG GLN 35 -3.515 -6.207 -6.186 266 HG3 GLN 35 1HG GLN 35 -2.479 -6.206 -4.761 267 HE21 GLN 35 1HE2 GLN 35 -4.110 -6.951 -3.422 268 HE22 GLN 35 2HE2 GLN 35 -5.459 -5.973 -2.960 269 H VAL 36 HN VAL 36 -1.691 -4.273 -2.353 270 HA VAL 36 HA VAL 36 0.684 -5.976 -2.709 271 HB VAL 36 HB VAL 36 1.316 -4.122 -1.330 272 HG11 VAL 36 1HG1 VAL 36 -0.869 -3.340 -0.646 273 HG12 VAL 36 2HG1 VAL 36 0.162 -3.571 0.765 274 HG13 VAL 36 3HG1 VAL 36 -1.082 -4.758 0.379 275 HG21 VAL 36 3HG2 VAL 36 0.810 -6.560 0.366 276 HG22 VAL 36 1HG2 VAL 36 1.914 -5.248 0.774 277 HG23 VAL 36 2HG2 VAL 36 2.222 -6.250 -0.644 278 H ASP 37 HN ASP 37 0.441 -8.033 -2.293 279 HA ASP 37 HA ASP 37 -1.936 -8.919 -0.791 280 HB2 ASP 37 2HB ASP 37 -2.076 -9.096 -3.361 281 HB3 ASP 37 1HB ASP 37 -0.863 -10.363 -3.210 282 H LEU 38 HN LEU 38 -1.621 -10.733 0.525 283 HA LEU 38 HA LEU 38 1.224 -11.442 0.840 284 HB2 LEU 38 2HB LEU 38 -0.921 -11.255 2.953 285 HB3 LEU 38 1HB LEU 38 0.727 -11.775 3.238 286 HG LEU 38 HG LEU 38 -0.113 -9.025 2.327 287 HD11 LEU 38 1HD1 LEU 38 0.584 -8.311 4.542 288 HD12 LEU 38 2HD1 LEU 38 0.945 -9.983 4.977 289 HD13 LEU 38 3HD1 LEU 38 -0.716 -9.497 4.641 290 HD21 LEU 38 3HD2 LEU 38 2.065 -9.645 1.437 291 HD22 LEU 38 1HD2 LEU 38 2.605 -10.109 3.051 292 HD23 LEU 38 2HD2 LEU 38 2.226 -8.422 2.698 293 H GLU 39 HN GLU 39 1.808 -13.519 0.993 294 HA GLU 39 HA GLU 39 -0.313 -15.552 1.212 295 HB2 GLU 39 2HB GLU 39 2.272 -15.699 -0.342 296 HB3 GLU 39 1HB GLU 39 1.240 -17.082 -0.022 297 HG2 GLU 39 2HG GLU 39 -0.592 -15.897 -1.201 298 HG3 GLU 39 1HG GLU 39 0.578 -14.660 -1.633 299 H GLY 40 HN GLY 40 0.507 -17.616 2.064 300 HA2 GLY 40 2HA GLY 40 2.704 -18.453 3.167 301 HA3 GLY 40 1HA GLY 40 2.412 -17.102 4.249 302 HA PRO 41 HA PRO 41 0.551 -20.837 6.208 303 HB2 PRO 41 2HB PRO 41 1.292 -19.379 8.657 304 HB3 PRO 41 1HB PRO 41 1.701 -21.025 8.163 305 HG2 PRO 41 2HG PRO 41 3.537 -19.069 8.197 306 HG3 PRO 41 1HG PRO 41 3.555 -20.346 6.966 307 HD2 PRO 41 2HD PRO 41 2.564 -17.524 6.758 308 HD3 PRO 41 1HD PRO 41 3.516 -18.471 5.592 309 H ARG 42 HN ARG 42 -1.550 -20.928 6.605 310 HA ARG 42 HA ARG 42 -3.179 -18.629 6.675 311 HB2 ARG 42 2HB ARG 42 -3.781 -21.519 7.310 312 HB3 ARG 42 1HB ARG 42 -5.010 -20.261 7.271 313 HG2 ARG 42 2HG ARG 42 -4.431 -19.811 4.914 314 HG3 ARG 42 1HG ARG 42 -3.276 -21.143 4.970 315 HD2 ARG 42 2HD ARG 42 -5.055 -22.719 5.402 316 HD3 ARG 42 1HD ARG 42 -6.232 -21.410 5.509 317 HE ARG 42 HE ARG 42 -4.799 -21.606 2.991 318 HH11 ARG 42 1HH1 ARG 42 -7.670 -22.463 4.808 319 HH12 ARG 42 2HH1 ARG 42 -8.623 -22.795 3.394 320 HH21 ARG 42 1HH2 ARG 42 -6.065 -21.997 1.122 321 HH22 ARG 42 2HH2 ARG 42 -7.716 -22.514 1.310 322 H GLY 43 HN GLY 43 -1.848 -20.674 9.191 323 HA2 GLY 43 2HA GLY 43 -3.343 -19.712 11.368 324 HA3 GLY 43 1HA GLY 43 -1.715 -20.366 11.466 325 H VAL 44 HN VAL 44 -0.230 -18.590 10.088 326 HA VAL 44 HA VAL 44 0.126 -16.467 11.905 327 HB VAL 44 HB VAL 44 1.174 -16.687 9.071 328 HG11 VAL 44 1HG1 VAL 44 2.940 -15.174 9.834 329 HG12 VAL 44 2HG1 VAL 44 2.150 -15.047 11.406 330 HG13 VAL 44 3HG1 VAL 44 1.347 -14.424 9.965 331 HG21 VAL 44 3HG2 VAL 44 2.398 -17.576 11.683 332 HG22 VAL 44 1HG2 VAL 44 3.194 -17.611 10.109 333 HG23 VAL 44 2HG2 VAL 44 1.785 -18.629 10.408 334 H LEU 45 HN LEU 45 -1.348 -16.623 8.689 335 HA LEU 45 HA LEU 45 -1.876 -13.903 8.341 336 HB2 LEU 45 2HB LEU 45 -3.427 -16.300 7.373 337 HB3 LEU 45 1HB LEU 45 -3.683 -14.662 6.805 338 HG LEU 45 HG LEU 45 -1.132 -16.245 6.480 339 HD11 LEU 45 1HD1 LEU 45 -3.234 -15.467 4.465 340 HD12 LEU 45 2HD1 LEU 45 -2.962 -17.091 5.097 341 HD13 LEU 45 3HD1 LEU 45 -1.721 -16.307 4.119 342 HD21 LEU 45 3HD2 LEU 45 -1.910 -13.526 5.434 343 HD22 LEU 45 1HD2 LEU 45 -0.432 -14.403 5.032 344 HD23 LEU 45 2HD2 LEU 45 -0.710 -13.853 6.684 345 H THR 46 HN THR 46 -3.663 -16.373 10.099 346 HA THR 46 HA THR 46 -6.015 -14.846 10.537 347 HB THR 46 HB THR 46 -4.932 -17.078 12.277 348 HG1 THR 46 1HG THR 46 -5.075 -17.882 10.199 349 HG21 THR 46 3HG2 THR 46 -7.286 -17.464 12.821 350 HG22 THR 46 1HG2 THR 46 -7.756 -16.110 11.793 351 HG23 THR 46 2HG2 THR 46 -6.811 -15.821 13.251 352 H VAL 47 HN VAL 47 -3.004 -15.223 12.381 353 HA VAL 47 HA VAL 47 -3.774 -13.691 14.623 354 HB VAL 47 HB VAL 47 -0.996 -13.935 13.438 355 HG11 VAL 47 1HG1 VAL 47 -1.230 -12.139 15.095 356 HG12 VAL 47 2HG1 VAL 47 -0.216 -13.452 15.697 357 HG13 VAL 47 3HG1 VAL 47 -1.882 -13.298 16.255 358 HG21 VAL 47 3HG2 VAL 47 -0.683 -15.801 14.986 359 HG22 VAL 47 1HG2 VAL 47 -1.989 -16.130 13.845 360 HG23 VAL 47 2HG2 VAL 47 -2.363 -15.658 15.503 361 H PHE 48 HN PHE 48 -2.408 -12.865 11.497 362 HA PHE 48 HA PHE 48 -2.062 -10.089 11.988 363 HB2 PHE 48 2HB PHE 48 -0.934 -11.416 10.174 364 HB3 PHE 48 1HB PHE 48 -2.472 -11.472 9.325 365 HD1 PHE 48 1HD PHE 48 0.258 -9.283 10.448 366 HD2 PHE 48 2HD PHE 48 -3.269 -9.596 8.090 367 HE1 PHE 48 1HE PHE 48 0.796 -7.143 9.362 368 HE2 PHE 48 2HE PHE 48 -2.738 -7.456 7.003 369 HZ PHE 48 HZ PHE 48 -0.704 -6.227 7.636 370 H ARG 49 HN ARG 49 -4.758 -12.058 10.995 371 HA ARG 49 HA ARG 49 -6.440 -10.164 9.857 372 HB2 ARG 49 2HB ARG 49 -6.964 -12.687 11.418 373 HB3 ARG 49 1HB ARG 49 -8.227 -11.779 10.641 374 HG2 ARG 49 2HG ARG 49 -7.136 -12.140 8.467 375 HG3 ARG 49 1HG ARG 49 -5.913 -13.120 9.286 376 HD2 ARG 49 2HD ARG 49 -7.803 -14.546 10.144 377 HD3 ARG 49 1HD ARG 49 -8.866 -13.662 9.051 378 HE ARG 49 HE ARG 49 -6.851 -15.628 8.331 379 HH11 ARG 49 1HH1 ARG 49 -9.063 -13.147 7.266 380 HH12 ARG 49 2HH1 ARG 49 -9.132 -13.716 5.622 381 HH21 ARG 49 1HH2 ARG 49 -6.929 -16.414 6.197 382 HH22 ARG 49 2HH2 ARG 49 -7.899 -15.586 5.008 383 H PHE 50 HN PHE 50 -5.915 -11.077 13.229 384 HA PHE 50 HA PHE 50 -8.078 -9.507 14.226 385 HB2 PHE 50 2HB PHE 50 -5.749 -10.865 15.586 386 HB3 PHE 50 1HB PHE 50 -7.032 -10.032 16.441 387 HD1 PHE 50 2HD PHE 50 -9.482 -10.798 15.575 388 HD2 PHE 50 1HD PHE 50 -5.933 -13.138 15.468 389 HE1 PHE 50 2HE PHE 50 -10.842 -12.845 15.512 390 HE2 PHE 50 1HE PHE 50 -7.285 -15.190 15.402 391 HZ PHE 50 HZ PHE 50 -9.745 -15.048 15.422 392 H ALA 51 HN ALA 51 -4.668 -9.022 13.700 393 HA ALA 51 HA ALA 51 -4.554 -6.576 15.219 394 HB1 ALA 51 1HB ALA 51 -2.586 -7.729 13.244 395 HB2 ALA 51 2HB ALA 51 -2.574 -7.986 14.989 396 HB3 ALA 51 3HB ALA 51 -2.288 -6.374 14.332 397 H ARG 52 HN ARG 52 -5.343 -4.704 14.531 398 HA ARG 52 HA ARG 52 -6.474 -4.348 12.003 399 HB2 ARG 52 2HB ARG 52 -5.878 -2.618 14.342 400 HB3 ARG 52 1HB ARG 52 -6.310 -1.843 12.831 401 HG2 ARG 52 2HG ARG 52 -8.398 -3.066 12.759 402 HG3 ARG 52 1HG ARG 52 -7.957 -3.932 14.233 403 HD2 ARG 52 2HD ARG 52 -8.237 -0.939 14.057 404 HD3 ARG 52 1HD ARG 52 -9.537 -2.017 14.562 405 HE ARG 52 HE ARG 52 -7.765 -2.753 16.309 406 HH11 ARG 52 1HH1 ARG 52 -8.314 0.507 15.132 407 HH12 ARG 52 2HH1 ARG 52 -7.742 1.249 16.597 408 HH21 ARG 52 1HH2 ARG 52 -7.069 -1.772 18.237 409 HH22 ARG 52 2HH2 ARG 52 -7.044 -0.036 18.358 410 HA PRO 53 HA PRO 53 -3.475 -3.291 9.094 411 HB2 PRO 53 2HB PRO 53 -4.417 -0.784 8.241 412 HB3 PRO 53 1HB PRO 53 -4.821 -2.364 7.567 413 HG2 PRO 53 2HG PRO 53 -6.327 -0.682 9.500 414 HG3 PRO 53 1HG PRO 53 -6.938 -1.783 8.253 415 HD2 PRO 53 2HD PRO 53 -6.988 -2.437 10.852 416 HD3 PRO 53 1HD PRO 53 -6.666 -3.654 9.599 417 H SER 54 HN SER 54 -1.489 -2.752 9.547 418 HA SER 54 HA SER 54 -0.906 -0.010 10.344 419 HB2 SER 54 2HB SER 54 0.200 -2.602 11.360 420 HB3 SER 54 1HB SER 54 1.112 -1.116 11.480 421 HG SER 54 HG SER 54 -1.486 -0.901 12.335 422 H TYR 55 HN TYR 55 -0.947 -1.863 7.837 423 HA TYR 55 HA TYR 55 1.800 -1.841 6.994 424 HB2 TYR 55 2HB TYR 55 0.753 -2.617 4.775 425 HB3 TYR 55 1HB TYR 55 0.679 -3.702 6.156 426 HD1 TYR 55 1HD TYR 55 -1.281 -1.457 3.987 427 HD2 TYR 55 2HD TYR 55 -1.421 -4.319 7.129 428 HE1 TYR 55 1HE TYR 55 -3.711 -1.654 3.689 429 HE2 TYR 55 2HE TYR 55 -3.854 -4.525 6.843 430 HH TYR 55 HH TYR 55 -5.496 -3.237 4.131 431 H GLU 56 HN GLU 56 2.789 -0.458 5.694 432 HA GLU 56 HA GLU 56 1.277 1.780 4.569 433 HB2 GLU 56 2HB GLU 56 1.880 2.396 6.869 434 HB3 GLU 56 1HB GLU 56 3.564 2.041 6.527 435 HG2 GLU 56 2HG GLU 56 3.553 3.849 4.842 436 HG3 GLU 56 1HG GLU 56 1.909 4.253 5.346 437 H VAL 57 HN VAL 57 2.289 2.770 2.830 438 HA VAL 57 HA VAL 57 4.918 1.737 2.023 439 HB VAL 57 HB VAL 57 4.143 1.806 -0.360 440 HG11 VAL 57 1HG1 VAL 57 2.672 -0.111 1.447 441 HG12 VAL 57 2HG1 VAL 57 4.315 -0.311 0.835 442 HG13 VAL 57 3HG1 VAL 57 2.949 -0.334 -0.281 443 HG21 VAL 57 3HG2 VAL 57 2.212 3.257 -0.145 444 HG22 VAL 57 1HG2 VAL 57 1.415 2.088 0.910 445 HG23 VAL 57 2HG2 VAL 57 1.704 1.692 -0.783 446 H PHE 58 HN PHE 58 6.337 3.275 1.407 447 HA PHE 58 HA PHE 58 5.417 5.869 0.517 448 HB2 PHE 58 2HB PHE 58 6.534 7.124 2.297 449 HB3 PHE 58 1HB PHE 58 5.278 6.087 2.964 450 HD1 PHE 58 2HD PHE 58 5.910 4.015 4.179 451 HD2 PHE 58 1HD PHE 58 8.808 6.858 2.903 452 HE1 PHE 58 2HE PHE 58 7.548 3.037 5.732 453 HE2 PHE 58 1HE PHE 58 10.450 5.882 4.454 454 HZ PHE 58 HZ PHE 58 9.822 3.969 5.870 455 H VAL 59 HN VAL 59 7.168 7.258 -0.177 456 HA VAL 59 HA VAL 59 9.790 5.956 -0.399 457 HB VAL 59 HB VAL 59 10.045 6.853 -2.708 458 HG11 VAL 59 1HG1 VAL 59 7.748 4.934 -2.352 459 HG12 VAL 59 2HG1 VAL 59 9.460 4.513 -2.374 460 HG13 VAL 59 3HG1 VAL 59 8.690 5.155 -3.827 461 HG21 VAL 59 3HG2 VAL 59 8.058 7.505 -3.973 462 HG22 VAL 59 1HG2 VAL 59 8.350 8.608 -2.628 463 HG23 VAL 59 2HG2 VAL 59 7.082 7.387 -2.508 464 H ASP 60 HN ASP 60 11.488 7.295 0.024 465 HA ASP 60 HA ASP 60 10.825 10.079 0.665 466 HB2 ASP 60 2HB ASP 60 12.008 8.667 2.375 467 HB3 ASP 60 1HB ASP 60 13.386 8.585 1.283 468 H LEU 61 HN LEU 61 11.185 11.531 -0.829 469 HA LEU 61 HA LEU 61 13.623 11.327 -2.434 470 HB2 LEU 61 2HB LEU 61 10.826 11.754 -3.462 471 HB3 LEU 61 1HB LEU 61 12.244 12.224 -4.382 472 HG LEU 61 HG LEU 61 11.728 9.403 -3.431 473 HD11 LEU 61 1HD1 LEU 61 11.165 8.914 -5.769 474 HD12 LEU 61 2HD1 LEU 61 11.222 10.639 -6.131 475 HD13 LEU 61 3HD1 LEU 61 10.009 10.010 -5.015 476 HD21 LEU 61 3HD2 LEU 61 13.703 10.573 -5.385 477 HD22 LEU 61 1HD2 LEU 61 13.464 8.851 -5.087 478 HD23 LEU 61 2HD2 LEU 61 14.067 9.894 -3.799 479 H THR 62 HN THR 62 13.161 12.787 -0.129 480 HA THR 62 HA THR 62 12.433 15.478 -0.550 481 HB THR 62 HB THR 62 13.848 15.861 1.539 482 HG1 THR 62 1HG THR 62 13.971 13.004 1.585 483 HG21 THR 62 3HG2 THR 62 11.725 13.712 1.642 484 HG22 THR 62 1HG2 THR 62 11.438 15.451 1.658 485 HG23 THR 62 2HG2 THR 62 12.273 14.683 3.008 486 H GLU 63 HN GLU 63 15.227 13.683 -1.400 487 HA GLU 63 HA GLU 63 16.908 16.054 -1.652 488 HB2 GLU 63 2HB GLU 63 17.526 13.138 -2.099 489 HB3 GLU 63 1HB GLU 63 18.693 14.438 -2.172 490 HG2 GLU 63 2HG GLU 63 18.301 14.930 0.144 491 HG3 GLU 63 1HG GLU 63 17.090 13.667 0.222 492 H ALA 64 HN ALA 64 14.557 14.859 -3.486 493 HA ALA 64 HA ALA 64 15.937 14.851 -6.041 494 HB1 ALA 64 1HB ALA 64 14.080 13.311 -5.707 495 HB2 ALA 64 2HB ALA 64 13.720 14.452 -7.001 496 HB3 ALA 64 3HB ALA 64 12.994 14.665 -5.409 497 H GLY 65 HN GLY 65 14.862 16.242 -7.826 498 HA2 GLY 65 2HA GLY 65 14.459 18.962 -6.744 499 HA3 GLY 65 1HA GLY 65 15.419 18.642 -8.181 500 H GLU 66 HN GLU 66 14.423 18.838 -10.091 501 HA GLU 66 HA GLU 66 11.500 19.038 -10.090 502 HB2 GLU 66 2HB GLU 66 13.516 19.980 -12.130 503 HB3 GLU 66 1HB GLU 66 11.782 20.172 -12.256 504 HG2 GLU 66 2HG GLU 66 11.804 21.565 -10.233 505 HG3 GLU 66 1HG GLU 66 13.562 21.418 -10.184 506 H GLY 67 HN GLY 67 10.285 17.979 -11.668 507 HA2 GLY 67 2HA GLY 67 10.007 16.579 -13.556 508 HA3 GLY 67 1HA GLY 67 11.663 16.022 -13.349 509 H SER 68 HN SER 68 10.017 14.078 -13.759 510 HA SER 68 HA SER 68 9.115 13.040 -11.182 511 HB2 SER 68 2HB SER 68 7.613 12.848 -13.148 512 HB3 SER 68 1HB SER 68 8.804 11.817 -13.936 513 HG SER 68 HG SER 68 7.758 11.214 -11.383 514 H HIS 69 HN HIS 69 9.974 11.301 -10.223 515 HA HIS 69 HA HIS 69 12.307 10.027 -11.482 516 HB2 HIS 69 2HB HIS 69 12.857 11.840 -9.705 517 HB3 HIS 69 1HB HIS 69 12.287 10.651 -8.539 518 HD1 HIS 69 1HD HIS 69 13.905 8.818 -7.885 519 HD2 HIS 69 2HD HIS 69 15.177 10.998 -11.181 520 HE1 HIS 69 1HE HIS 69 16.261 8.061 -8.324 521 HE2 HIS 69 2HE HIS 69 17.079 9.571 -10.178 522 H THR 70 HN THR 70 12.169 7.874 -11.462 523 HA THR 70 HA THR 70 10.080 6.626 -9.834 524 HB THR 70 HB THR 70 11.799 5.295 -11.937 525 HG1 THR 70 1HG THR 70 9.988 5.739 -13.341 526 HG21 THR 70 3HG2 THR 70 9.071 4.628 -10.820 527 HG22 THR 70 1HG2 THR 70 10.574 3.792 -10.435 528 HG23 THR 70 2HG2 THR 70 9.923 3.725 -12.073 529 H VAL 71 HN VAL 71 10.527 5.493 -8.046 530 HA VAL 71 HA VAL 71 13.208 4.316 -7.758 531 HB VAL 71 HB VAL 71 13.084 4.764 -5.297 532 HG11 VAL 71 1HG1 VAL 71 13.123 7.200 -7.072 533 HG12 VAL 71 2HG1 VAL 71 14.483 6.121 -6.760 534 HG13 VAL 71 3HG1 VAL 71 13.809 7.089 -5.450 535 HG21 VAL 71 3HG2 VAL 71 11.593 6.561 -4.527 536 HG22 VAL 71 1HG2 VAL 71 10.700 5.149 -5.095 537 HG23 VAL 71 2HG2 VAL 71 10.823 6.583 -6.115 538 H ASP 72 HN ASP 72 13.214 2.601 -6.006 539 HA ASP 72 HA ASP 72 11.014 0.794 -6.517 540 HB2 ASP 72 2HB ASP 72 13.489 0.158 -6.402 541 HB3 ASP 72 1HB ASP 72 13.354 0.324 -4.657 542 H VAL 73 HN VAL 73 9.524 0.059 -5.001 543 HA VAL 73 HA VAL 73 9.064 2.008 -2.893 544 HB VAL 73 HB VAL 73 7.262 -0.181 -3.924 545 HG11 VAL 73 1HG1 VAL 73 6.744 0.389 -1.602 546 HG12 VAL 73 2HG1 VAL 73 5.478 0.979 -2.680 547 HG13 VAL 73 3HG1 VAL 73 6.676 2.099 -2.025 548 HG21 VAL 73 3HG2 VAL 73 7.291 2.795 -4.446 549 HG22 VAL 73 1HG2 VAL 73 6.022 1.688 -4.968 550 HG23 VAL 73 2HG2 VAL 73 7.657 1.516 -5.607 551 H GLU 74 HN GLU 74 9.830 1.643 -0.942 552 HA GLU 74 HA GLU 74 10.013 -1.067 0.116 553 HB2 GLU 74 2HB GLU 74 10.783 1.596 1.344 554 HB3 GLU 74 1HB GLU 74 11.040 0.025 2.093 555 HG2 GLU 74 2HG GLU 74 12.466 -0.599 0.152 556 HG3 GLU 74 1HG GLU 74 12.294 1.053 -0.437 557 H HIS 75 HN HIS 75 8.943 -1.665 2.082 558 HA HIS 75 HA HIS 75 6.641 -0.042 2.851 559 HB2 HIS 75 2HB HIS 75 5.270 -2.294 2.599 560 HB3 HIS 75 1HB HIS 75 5.457 -1.189 1.241 561 HD1 HIS 75 1HD HIS 75 7.096 -4.361 2.588 562 HD2 HIS 75 2HD HIS 75 6.502 -2.328 -0.986 563 HE1 HIS 75 1HE HIS 75 8.017 -5.864 0.797 564 HE2 HIS 75 2HE HIS 75 7.917 -4.467 -1.303 565 H ARG 76 HN ARG 76 5.718 -0.617 4.838 566 HA ARG 76 HA ARG 76 6.980 -2.789 6.332 567 HB2 ARG 76 2HB ARG 76 8.209 -0.553 6.698 568 HB3 ARG 76 1HB ARG 76 6.767 -0.045 7.566 569 HG2 ARG 76 2HG ARG 76 7.036 -1.855 9.143 570 HG3 ARG 76 1HG ARG 76 8.429 -2.459 8.245 571 HD2 ARG 76 2HD ARG 76 9.598 -0.332 8.701 572 HD3 ARG 76 1HD ARG 76 8.218 0.192 9.669 573 HE ARG 76 HE ARG 76 8.993 -2.257 10.693 574 HH11 ARG 76 1HH1 ARG 76 10.443 0.901 10.301 575 HH12 ARG 76 2HH1 ARG 76 11.494 0.735 11.672 576 HH21 ARG 76 1HH2 ARG 76 10.347 -2.472 12.526 577 HH22 ARG 76 2HH2 ARG 76 11.419 -1.172 12.959 578 H GLY 77 HN GLY 77 5.821 -3.147 8.455 579 HA2 GLY 77 2HA GLY 77 3.695 -2.631 9.661 580 HA3 GLY 77 1HA GLY 77 2.938 -2.598 8.076 581 H PHE 78 HN PHE 78 4.392 -4.786 7.011 582 HA PHE 78 HA PHE 78 3.525 -7.026 8.700 583 HB2 PHE 78 2HB PHE 78 3.378 -8.305 6.490 584 HB3 PHE 78 1HB PHE 78 2.126 -7.106 6.787 585 HD1 PHE 78 2HD PHE 78 5.058 -7.963 4.768 586 HD2 PHE 78 1HD PHE 78 2.011 -5.080 5.483 587 HE1 PHE 78 2HE PHE 78 5.580 -6.882 2.620 588 HE2 PHE 78 1HE PHE 78 2.526 -3.996 3.335 589 HZ PHE 78 HZ PHE 78 4.316 -4.895 1.899 590 HA PRO 79 HA PRO 79 7.791 -8.107 8.723 591 HB2 PRO 79 2HB PRO 79 7.150 -10.869 9.310 592 HB3 PRO 79 1HB PRO 79 7.764 -9.625 10.399 593 HG2 PRO 79 2HG PRO 79 5.251 -10.679 10.574 594 HG3 PRO 79 1HG PRO 79 5.679 -9.052 11.131 595 HD2 PRO 79 2HD PRO 79 4.318 -9.896 8.605 596 HD3 PRO 79 1HD PRO 79 3.996 -8.494 9.650 597 H GLY 80 HN GLY 80 9.392 -9.490 7.735 598 HA2 GLY 80 2HA GLY 80 8.732 -10.167 5.013 599 HA3 GLY 80 1HA GLY 80 10.310 -10.299 5.768 600 H ASP 81 HN ASP 81 7.918 -11.778 7.582 601 HA ASP 81 HA ASP 81 8.896 -14.408 7.063 602 HB2 ASP 81 2HB ASP 81 8.176 -13.722 9.296 603 HB3 ASP 81 1HB ASP 81 6.550 -13.445 8.696 604 H LEU 82 HN LEU 82 6.223 -12.474 6.031 605 HA LEU 82 HA LEU 82 4.839 -14.732 4.822 606 HB2 LEU 82 2HB LEU 82 4.131 -11.797 4.910 607 HB3 LEU 82 1HB LEU 82 3.110 -13.069 4.274 608 HG LEU 82 HG LEU 82 3.992 -12.830 7.150 609 HD11 LEU 82 1HD1 LEU 82 1.326 -12.236 5.871 610 HD12 LEU 82 2HD1 LEU 82 2.452 -11.050 6.530 611 HD13 LEU 82 3HD1 LEU 82 1.674 -12.216 7.601 612 HD21 LEU 82 3HD2 LEU 82 2.023 -14.702 5.839 613 HD22 LEU 82 1HD2 LEU 82 2.347 -14.589 7.569 614 HD23 LEU 82 2HD2 LEU 82 3.610 -15.140 6.468 615 H ALA 83 HN ALA 83 4.158 -14.600 2.567 616 HA ALA 83 HA ALA 83 6.300 -13.576 0.873 617 HB1 ALA 83 1HB ALA 83 5.559 -15.890 0.541 618 HB2 ALA 83 2HB ALA 83 5.268 -14.915 -0.899 619 HB3 ALA 83 3HB ALA 83 3.933 -15.316 0.179 620 H VAL 84 HN VAL 84 6.073 -11.844 -0.462 621 HA VAL 84 HA VAL 84 3.483 -10.455 -0.285 622 HB VAL 84 HB VAL 84 6.191 -9.205 -0.753 623 HG11 VAL 84 1HG1 VAL 84 4.330 -7.909 -1.642 624 HG12 VAL 84 2HG1 VAL 84 5.054 -7.109 -0.248 625 HG13 VAL 84 3HG1 VAL 84 3.527 -7.973 -0.073 626 HG21 VAL 84 3HG2 VAL 84 4.585 -9.421 1.788 627 HG22 VAL 84 1HG2 VAL 84 6.023 -8.420 1.582 628 HG23 VAL 84 2HG2 VAL 84 6.145 -10.174 1.460 629 H THR 85 HN THR 85 2.358 -10.227 -2.101 630 HA THR 85 HA THR 85 3.785 -10.260 -4.683 631 HB THR 85 HB THR 85 0.795 -10.302 -4.249 632 HG1 THR 85 1HG THR 85 2.116 -12.167 -3.388 633 HG21 THR 85 3HG2 THR 85 2.507 -11.031 -6.625 634 HG22 THR 85 1HG2 THR 85 1.499 -9.595 -6.470 635 HG23 THR 85 2HG2 THR 85 0.752 -11.192 -6.538 636 H VAL 86 HN VAL 86 3.743 -8.446 -5.992 637 HA VAL 86 HA VAL 86 2.539 -6.058 -4.765 638 HB VAL 86 HB VAL 86 5.280 -6.069 -6.014 639 HG11 VAL 86 1HG1 VAL 86 5.483 -3.864 -4.957 640 HG12 VAL 86 2HG1 VAL 86 3.822 -3.997 -4.381 641 HG13 VAL 86 3HG1 VAL 86 4.153 -3.928 -6.112 642 HG21 VAL 86 3HG2 VAL 86 5.310 -7.410 -3.969 643 HG22 VAL 86 1HG2 VAL 86 4.586 -6.072 -3.080 644 HG23 VAL 86 2HG2 VAL 86 6.204 -5.902 -3.766 645 H GLU 87 HN GLU 87 1.439 -4.821 -6.074 646 HA GLU 87 HA GLU 87 1.881 -4.991 -8.980 647 HB2 GLU 87 2HB GLU 87 -0.495 -4.893 -7.403 648 HB3 GLU 87 1HB GLU 87 -0.382 -3.363 -8.263 649 HG2 GLU 87 2HG GLU 87 -0.578 -4.343 -10.323 650 HG3 GLU 87 1HG GLU 87 0.060 -5.891 -9.772 651 HA PRO 88 HA PRO 88 4.140 -2.341 -10.377 652 HB2 PRO 88 2HB PRO 88 2.941 0.223 -9.458 653 HB3 PRO 88 1HB PRO 88 3.711 -0.164 -10.997 654 HG2 PRO 88 2HG PRO 88 0.919 -0.311 -10.379 655 HG3 PRO 88 1HG PRO 88 1.717 -0.807 -11.883 656 HD2 PRO 88 2HD PRO 88 0.454 -2.552 -10.150 657 HD3 PRO 88 1HD PRO 88 1.765 -3.028 -11.258 658 H ARG 89 HN ARG 89 6.066 -2.049 -9.605 659 HA ARG 89 HA ARG 89 6.235 -2.167 -6.675 660 HB2 ARG 89 2HB ARG 89 8.139 -3.194 -8.774 661 HB3 ARG 89 1HB ARG 89 8.259 -3.465 -7.034 662 HG2 ARG 89 2HG ARG 89 5.993 -4.507 -7.163 663 HG3 ARG 89 1HG ARG 89 6.150 -4.457 -8.915 664 HD2 ARG 89 2HD ARG 89 8.233 -5.725 -7.177 665 HD3 ARG 89 1HD ARG 89 6.807 -6.604 -7.718 666 HE ARG 89 HE ARG 89 7.565 -6.165 -10.024 667 HH11 ARG 89 1HH1 ARG 89 9.904 -5.730 -7.450 668 HH12 ARG 89 2HH1 ARG 89 11.264 -6.132 -8.458 669 HH21 ARG 89 1HH2 ARG 89 9.353 -6.700 -11.337 670 HH22 ARG 89 2HH2 ARG 89 10.950 -6.700 -10.647 671 H MET 90 HN MET 90 7.253 -0.447 -9.414 672 HA MET 90 HA MET 90 9.035 1.191 -7.745 673 HB2 MET 90 2HB MET 90 9.043 0.845 -10.752 674 HB3 MET 90 1HB MET 90 10.089 1.940 -9.863 675 HG2 MET 90 2HG MET 90 11.086 0.039 -8.691 676 HG3 MET 90 1HG MET 90 10.045 -1.055 -9.596 677 HE1 MET 90 3HE MET 90 13.378 1.518 -11.485 678 HE2 MET 90 1HE MET 90 13.051 1.450 -9.754 679 HE3 MET 90 2HE MET 90 11.881 2.192 -10.844 680 H ALA 91 HN ALA 91 8.624 3.362 -7.600 681 HA ALA 91 HA ALA 91 6.063 4.196 -8.804 682 HB1 ALA 91 1HB ALA 91 5.836 3.737 -6.409 683 HB2 ALA 91 2HB ALA 91 5.585 5.445 -6.768 684 HB3 ALA 91 3HB ALA 91 7.111 4.907 -6.065 685 H ARG 92 HN ARG 92 6.038 6.011 -9.883 686 HA ARG 92 HA ARG 92 8.398 7.747 -9.764 687 HB2 ARG 92 2HB ARG 92 7.681 8.597 -11.962 688 HB3 ARG 92 1HB ARG 92 7.949 6.860 -11.990 689 HG2 ARG 92 2HG ARG 92 5.612 6.419 -12.009 690 HG3 ARG 92 1HG ARG 92 5.231 8.110 -11.675 691 HD2 ARG 92 2HD ARG 92 6.198 8.736 -13.844 692 HD3 ARG 92 1HD ARG 92 6.532 7.036 -14.175 693 HE ARG 92 HE ARG 92 4.129 6.659 -14.184 694 HH11 ARG 92 1HH1 ARG 92 5.213 9.973 -14.448 695 HH12 ARG 92 2HH1 ARG 92 3.731 10.544 -15.158 696 HH21 ARG 92 1HH2 ARG 92 2.194 7.381 -15.156 697 HH22 ARG 92 2HH2 ARG 92 2.022 9.065 -15.572 698 H VAL 93 HN VAL 93 8.217 9.678 -8.897 699 HA VAL 93 HA VAL 93 5.553 10.929 -8.786 700 HB VAL 93 HB VAL 93 6.285 10.270 -6.528 701 HG11 VAL 93 1HG1 VAL 93 8.217 11.334 -5.481 702 HG12 VAL 93 2HG1 VAL 93 8.630 12.100 -7.016 703 HG13 VAL 93 3HG1 VAL 93 8.691 10.343 -6.859 704 HG21 VAL 93 3HG2 VAL 93 6.321 13.249 -6.990 705 HG22 VAL 93 1HG2 VAL 93 6.041 12.457 -5.439 706 HG23 VAL 93 2HG2 VAL 93 4.893 12.242 -6.760 707 H GLN 94 HN GLN 94 5.433 13.033 -9.462 708 HA GLN 94 HA GLN 94 7.895 14.119 -10.643 709 HB2 GLN 94 2HB GLN 94 6.049 13.836 -12.207 710 HB3 GLN 94 1HB GLN 94 4.990 14.780 -11.168 711 HG2 GLN 94 2HG GLN 94 6.410 16.751 -11.538 712 HG3 GLN 94 1HG GLN 94 7.420 15.802 -12.622 713 HE21 GLN 94 1HE2 GLN 94 5.905 18.190 -13.162 714 HE22 GLN 94 2HE2 GLN 94 4.807 17.782 -14.430 715 H LEU 95 HN LEU 95 8.890 15.669 -9.575 716 HA LEU 95 HA LEU 95 7.322 17.336 -7.733 717 HB2 LEU 95 2HB LEU 95 10.294 16.813 -7.860 718 HB3 LEU 95 1HB LEU 95 9.534 17.942 -6.755 719 HG LEU 95 HG LEU 95 9.124 14.950 -6.801 720 HD11 LEU 95 1HD1 LEU 95 10.229 15.029 -4.614 721 HD12 LEU 95 2HD1 LEU 95 10.504 16.759 -4.824 722 HD13 LEU 95 3HD1 LEU 95 11.285 15.605 -5.904 723 HD21 LEU 95 3HD2 LEU 95 7.993 17.007 -4.909 724 HD22 LEU 95 1HD2 LEU 95 7.755 15.262 -4.831 725 HD23 LEU 95 2HD2 LEU 95 7.083 16.186 -6.175 726 H GLU 96 HN GLU 96 7.136 19.447 -8.071 727 HA GLU 96 HA GLU 96 8.723 20.676 -10.220 728 HB2 GLU 96 2HB GLU 96 6.483 20.051 -11.075 729 HB3 GLU 96 1HB GLU 96 5.743 20.999 -9.795 730 HG2 GLU 96 2HG GLU 96 6.650 23.029 -10.712 731 HG3 GLU 96 1HG GLU 96 7.534 22.117 -11.936 732 H GLU 97 HN GLU 97 9.205 22.869 -9.911 733 HA GLU 97 HA GLU 97 9.263 23.716 -7.170 734 HB2 GLU 97 2HB GLU 97 11.054 24.132 -8.941 735 HB3 GLU 97 1HB GLU 97 9.994 25.379 -9.581 736 HG2 GLU 97 2HG GLU 97 10.074 26.545 -7.427 737 HG3 GLU 97 1HG GLU 97 11.165 25.309 -6.807 738 H ARG 98 HN ARG 98 6.658 23.366 -8.184 739 HA ARG 98 HA ARG 98 5.538 25.982 -7.577 740 HB2 ARG 98 2HB ARG 98 5.395 25.947 -9.937 741 HB3 ARG 98 1HB ARG 98 4.866 24.283 -9.969 742 HG2 ARG 98 2HG ARG 98 2.713 24.880 -9.131 743 HG3 ARG 98 1HG ARG 98 3.241 26.536 -8.813 744 HD2 ARG 98 2HD ARG 98 1.869 26.285 -10.879 745 HD3 ARG 98 1HD ARG 98 3.463 26.983 -11.154 746 HE ARG 98 HE ARG 98 3.546 24.168 -11.516 747 HH11 ARG 98 1HH1 ARG 98 2.435 27.111 -13.082 748 HH12 ARG 98 2HH1 ARG 98 2.555 26.447 -14.682 749 HH21 ARG 98 1HH2 ARG 98 3.713 23.314 -13.590 750 HH22 ARG 98 2HH2 ARG 98 3.243 24.265 -14.975 751 H GLN 99 HN GLN 99 3.616 25.849 -6.469 752 HA GLN 99 HA GLN 99 3.177 23.210 -5.293 753 HB2 GLN 99 2HB GLN 99 3.730 25.216 -3.865 754 HB3 GLN 99 1HB GLN 99 2.146 25.857 -4.294 755 HG2 GLN 99 2HG GLN 99 1.077 23.926 -3.331 756 HG3 GLN 99 1HG GLN 99 2.648 23.228 -2.951 757 HE21 GLN 99 1HE2 GLN 99 2.237 23.128 -0.767 758 HE22 GLN 99 2HE2 GLN 99 2.193 24.535 0.237 759 H THR 100 HN THR 100 1.329 22.109 -5.513 760 HA THR 100 HA THR 100 -0.799 23.350 -7.103 761 HB THR 100 HB THR 100 -0.452 20.416 -6.507 762 HG1 THR 100 1HG THR 100 1.365 21.068 -7.666 763 HG21 THR 100 3HG2 THR 100 -1.895 20.116 -8.454 764 HG22 THR 100 1HG2 THR 100 -1.977 21.863 -8.680 765 HG23 THR 100 2HG2 THR 100 -2.689 21.124 -7.244 766 H VAL 101 HN VAL 101 -0.731 20.768 -4.768 767 HA VAL 101 HA VAL 101 -2.042 21.878 -2.629 768 HB VAL 101 HB VAL 101 -3.917 22.358 -4.173 769 HG11 VAL 101 1HG1 VAL 101 -4.113 19.364 -4.456 770 HG12 VAL 101 2HG1 VAL 101 -3.651 20.505 -5.720 771 HG13 VAL 101 3HG1 VAL 101 -5.286 20.536 -5.060 772 HG21 VAL 101 3HG2 VAL 101 -4.392 22.024 -1.819 773 HG22 VAL 101 1HG2 VAL 101 -4.527 20.284 -2.071 774 HG23 VAL 101 2HG2 VAL 101 -5.706 21.374 -2.799 775 H SER 102 HN SER 102 -2.129 20.400 -1.001 776 HA SER 102 HA SER 102 -2.099 17.558 -1.696 777 HB2 SER 102 2HB SER 102 0.254 18.332 -1.301 778 HB3 SER 102 1HB SER 102 -0.221 18.809 0.327 779 HG SER 102 HG SER 102 0.729 16.561 -0.215 780 H VAL 103 HN VAL 103 -3.781 16.675 -0.708 781 HA VAL 103 HA VAL 103 -4.527 17.686 1.948 782 HB VAL 103 HB VAL 103 -6.210 18.461 0.434 783 HG11 VAL 103 1HG1 VAL 103 -6.486 15.616 -0.520 784 HG12 VAL 103 2HG1 VAL 103 -5.834 16.974 -1.440 785 HG13 VAL 103 3HG1 VAL 103 -7.536 16.957 -0.978 786 HG21 VAL 103 3HG2 VAL 103 -8.221 17.369 1.326 787 HG22 VAL 103 1HG2 VAL 103 -7.020 17.680 2.582 788 HG23 VAL 103 2HG2 VAL 103 -7.218 16.051 1.935 789 HA PRO 104 HA PRO 104 -4.102 13.301 2.808 790 HB2 PRO 104 2HB PRO 104 -2.986 13.716 5.279 791 HB3 PRO 104 1HB PRO 104 -2.067 13.663 3.774 792 HG2 PRO 104 2HG PRO 104 -2.566 15.920 5.508 793 HG3 PRO 104 1HG PRO 104 -1.534 15.839 4.072 794 HD2 PRO 104 2HD PRO 104 -4.270 16.883 4.351 795 HD3 PRO 104 1HD PRO 104 -3.079 17.175 3.066 796 H VAL 105 HN VAL 105 -6.195 12.665 3.125 797 HA VAL 105 HA VAL 105 -7.488 13.512 5.622 798 HB VAL 105 HB VAL 105 -8.869 13.907 3.670 799 HG11 VAL 105 1HG1 VAL 105 -7.930 12.267 2.149 800 HG12 VAL 105 2HG1 VAL 105 -9.681 12.089 2.250 801 HG13 VAL 105 3HG1 VAL 105 -8.631 10.957 3.101 802 HG21 VAL 105 3HG2 VAL 105 -9.883 11.584 5.303 803 HG22 VAL 105 1HG2 VAL 105 -10.882 12.635 4.301 804 HG23 VAL 105 2HG2 VAL 105 -10.036 13.296 5.699 805 H THR 106 HN THR 106 -7.403 12.182 7.282 806 HA THR 106 HA THR 106 -6.473 9.468 6.904 807 HB THR 106 HB THR 106 -7.132 10.914 9.471 808 HG1 THR 106 1HG THR 106 -5.333 11.953 8.995 809 HG21 THR 106 3HG2 THR 106 -5.741 9.183 10.526 810 HG22 THR 106 1HG2 THR 106 -5.537 8.400 8.958 811 HG23 THR 106 2HG2 THR 106 -7.133 8.479 9.705 812 H VAL 107 HN VAL 107 -7.927 8.070 6.285 813 HA VAL 107 HA VAL 107 -10.602 8.065 7.526 814 HB VAL 107 HB VAL 107 -9.724 6.749 4.942 815 HG11 VAL 107 1HG1 VAL 107 -12.103 6.392 4.550 816 HG12 VAL 107 2HG1 VAL 107 -12.478 7.122 6.111 817 HG13 VAL 107 3HG1 VAL 107 -11.583 5.605 6.042 818 HG21 VAL 107 3HG2 VAL 107 -11.004 8.502 3.814 819 HG22 VAL 107 1HG2 VAL 107 -9.674 9.179 4.755 820 HG23 VAL 107 2HG2 VAL 107 -11.326 9.270 5.368 821 H GLU 108 HN GLU 108 -11.331 6.199 8.533 822 HA GLU 108 HA GLU 108 -9.254 4.305 9.255 823 HB2 GLU 108 2HB GLU 108 -10.658 5.202 11.028 824 HB3 GLU 108 1HB GLU 108 -12.102 4.606 10.220 825 HG2 GLU 108 2HG GLU 108 -11.415 2.327 10.574 826 HG3 GLU 108 1HG GLU 108 -9.885 2.864 11.266 827 H MET 109 HN MET 109 -8.997 2.404 8.340 828 HA MET 109 HA MET 109 -11.122 1.348 6.606 829 HB2 MET 109 2HB MET 109 -8.971 1.782 5.505 830 HB3 MET 109 1HB MET 109 -8.151 0.758 6.676 831 HG2 MET 109 2HG MET 109 -9.394 -1.176 5.854 832 HG3 MET 109 1HG MET 109 -10.213 -0.148 4.679 833 HE1 MET 109 3HE MET 109 -7.805 -2.269 2.427 834 HE2 MET 109 1HE MET 109 -9.471 -1.757 2.695 835 HE3 MET 109 2HE MET 109 -8.674 -2.809 3.865 836 H ILE 110 HN ILE 110 -12.299 -0.214 7.487 837 HA ILE 110 HA ILE 110 -11.310 -1.761 9.729 838 HB ILE 110 HB ILE 110 -13.560 -2.776 9.756 839 HG12 ILE 110 2HG1 ILE 110 -14.115 -0.920 7.424 840 HG13 ILE 110 1HG1 ILE 110 -14.007 -2.675 7.330 841 HG21 ILE 110 1HG2 ILE 110 -13.162 -0.784 11.050 842 HG22 ILE 110 2HG2 ILE 110 -14.790 -0.729 10.380 843 HG23 ILE 110 3HG2 ILE 110 -13.504 0.237 9.654 844 HD11 ILE 110 3HD1 ILE 110 -16.071 -1.113 8.864 845 HD12 ILE 110 1HD1 ILE 110 -15.961 -2.871 8.783 846 HD13 ILE 110 2HD1 ILE 110 -16.316 -1.941 7.327 847 H ASN 111 HN ASN 111 -11.861 -4.196 9.671 848 HA ASN 111 HA ASN 111 -10.720 -5.280 7.193 849 HB2 ASN 111 2HB ASN 111 -10.975 -6.500 9.951 850 HB3 ASN 111 1HB ASN 111 -10.305 -7.332 8.556 851 HD21 ASN 111 1HD2 ASN 111 -8.289 -6.724 7.770 852 HD22 ASN 111 2HD2 ASN 111 -7.199 -5.749 8.689 853 H LEU 112 HN LEU 112 -12.356 -5.639 5.797 854 HA LEU 112 HA LEU 112 -14.753 -7.021 6.788 855 HB2 LEU 112 2HB LEU 112 -14.695 -4.825 5.311 856 HB3 LEU 112 1HB LEU 112 -14.494 -5.970 4.002 857 HG LEU 112 HG LEU 112 -16.837 -5.264 4.290 858 HD11 LEU 112 1HD1 LEU 112 -16.359 -8.168 4.941 859 HD12 LEU 112 2HD1 LEU 112 -16.390 -7.453 3.329 860 HD13 LEU 112 3HD1 LEU 112 -17.858 -7.488 4.307 861 HD21 LEU 112 3HD2 LEU 112 -18.100 -6.005 6.253 862 HD22 LEU 112 1HD2 LEU 112 -16.815 -4.880 6.691 863 HD23 LEU 112 2HD2 LEU 112 -16.610 -6.607 6.978 864 H GLU 113 HN GLU 113 -12.670 -7.035 3.894 865 HA GLU 113 HA GLU 113 -11.679 -8.709 2.731 866 HB2 GLU 113 2HB GLU 113 -10.876 -9.684 4.750 867 HB3 GLU 113 1HB GLU 113 -12.458 -10.347 5.140 868 HG2 GLU 113 2HG GLU 113 -12.273 -11.822 3.160 869 HG3 GLU 113 1HG GLU 113 -10.640 -11.208 2.902 870 H HIS 114 HN HIS 114 -12.379 -9.582 0.933 871 HA HIS 114 HA HIS 114 -14.848 -11.188 0.972 872 HB2 HIS 114 2HB HIS 114 -13.935 -9.386 -1.287 873 HB3 HIS 114 1HB HIS 114 -15.356 -10.422 -1.304 874 HD1 HIS 114 1HD HIS 114 -14.420 -7.031 -0.786 875 HD2 HIS 114 2HD HIS 114 -17.232 -9.581 0.921 876 HE1 HIS 114 1HE HIS 114 -16.106 -5.536 0.334 877 HE2 HIS 114 2HE HIS 114 -17.879 -7.089 1.221 878 H HIS 115 HN HIS 115 -13.869 -13.178 1.002 879 HA HIS 115 HA HIS 115 -11.740 -13.647 -0.954 880 HB2 HIS 115 2HB HIS 115 -11.345 -15.798 0.256 881 HB3 HIS 115 1HB HIS 115 -11.072 -14.362 1.224 882 HD1 HIS 115 1HD HIS 115 -13.241 -17.377 0.964 883 HD2 HIS 115 2HD HIS 115 -12.829 -14.036 3.391 884 HE1 HIS 115 1HE HIS 115 -14.607 -17.863 3.013 885 HE2 HIS 115 2HE HIS 115 -14.511 -15.740 4.366 886 H HIS 116 HN HIS 116 -13.005 -13.681 -2.750 887 HA HIS 116 HA HIS 116 -15.094 -15.666 -3.059 888 HB2 HIS 116 2HB HIS 116 -15.055 -13.324 -4.115 889 HB3 HIS 116 1HB HIS 116 -13.847 -13.961 -5.223 890 HD1 HIS 116 1HD HIS 116 -15.055 -14.115 -7.376 891 HD2 HIS 116 2HD HIS 116 -17.275 -15.657 -4.217 892 HE1 HIS 116 1HE HIS 116 -17.141 -15.069 -8.412 893 HE2 HIS 116 2HE HIS 116 -18.569 -15.776 -6.452 894 H HIS 117 HN HIS 117 -12.383 -14.942 -5.209 895 HA HIS 117 HA HIS 117 -11.083 -17.454 -4.626 896 HB2 HIS 117 2HB HIS 117 -12.354 -16.876 -7.277 897 HB3 HIS 117 1HB HIS 117 -10.806 -17.717 -7.254 898 HD1 HIS 117 1HD HIS 117 -14.103 -18.608 -7.677 899 HD2 HIS 117 2HD HIS 117 -11.196 -19.902 -4.996 900 HE1 HIS 117 1HE HIS 117 -14.862 -20.874 -6.885 901 HE2 HIS 117 2HE HIS 117 -13.161 -21.574 -5.162 902 H HIS 118 HN HIS 118 -8.848 -17.408 -5.292 903 HA HIS 118 HA HIS 118 -7.770 -14.988 -6.386 904 HB2 HIS 118 2HB HIS 118 -8.416 -14.219 -4.122 905 HB3 HIS 118 1HB HIS 118 -7.425 -15.489 -3.419 906 HD1 HIS 118 1HD HIS 118 -7.162 -12.214 -5.239 907 HD2 HIS 118 2HD HIS 118 -4.724 -14.954 -3.294 908 HE1 HIS 118 1HE HIS 118 -4.954 -11.059 -4.946 909 HE2 HIS 118 2HE HIS 118 -3.595 -12.635 -3.514 910 H HIS 119 HN HIS 119 -6.159 -15.752 -7.538 911 HA HIS 119 HA HIS 119 -3.992 -17.133 -6.238 912 HB2 HIS 119 2HB HIS 119 -5.491 -19.018 -6.905 913 HB3 HIS 119 1HB HIS 119 -5.375 -18.480 -8.577 914 HD1 HIS 119 1HD HIS 119 -3.496 -19.396 -9.917 915 HD2 HIS 119 2HD HIS 119 -2.894 -19.878 -5.830 916 HE1 HIS 119 1HE HIS 119 -1.421 -20.803 -9.697 917 HE2 HIS 119 2HE HIS 119 -0.986 -20.946 -7.217
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