NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9257 | 1nla | 4540 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 12.528 -20.847 13.309 2 2H MET 1 2H MET 1 11.895 -20.622 14.871 3 3H MET 1 3H MET 1 12.344 -19.280 13.933 4 HA MET 1 HA MET 1 10.526 -19.498 12.497 5 1HB MET 1 1HB MET 1 10.754 -22.297 13.529 6 2HB MET 1 2HB MET 1 9.181 -21.766 12.934 7 1HG MET 1 1HG MET 1 10.481 -20.906 10.864 8 2HG MET 1 2HG MET 1 11.791 -21.941 11.434 9 1HE MET 1 1HE MET 1 10.561 -22.472 8.548 10 2HE MET 1 2HE MET 1 10.667 -24.225 8.683 11 3HE MET 1 3HE MET 1 11.909 -23.214 9.420 12 H LYS 2 H LYS 2 10.999 -18.914 15.525 13 HA LYS 2 HA LYS 2 8.379 -19.390 16.746 14 1HB LYS 2 1HB LYS 2 10.822 -17.754 17.493 15 2HB LYS 2 2HB LYS 2 9.431 -17.982 18.555 16 1HG LYS 2 1HG LYS 2 10.205 -20.550 17.579 17 2HG LYS 2 2HG LYS 2 11.658 -19.736 18.159 18 1HD LYS 2 1HD LYS 2 9.124 -19.737 19.795 19 2HD LYS 2 2HD LYS 2 10.261 -21.084 19.880 20 1HE LYS 2 1HE LYS 2 11.573 -19.890 21.283 21 2HE LYS 2 2HE LYS 2 11.740 -18.619 20.055 22 1HZ LYS 2 1HZ LYS 2 9.797 -17.568 20.772 23 2HZ LYS 2 2HZ LYS 2 10.584 -17.984 22.220 24 3HZ LYS 2 3HZ LYS 2 9.275 -18.912 21.664 25 H GLY 3 H GLY 3 6.998 -18.284 15.158 26 1HA GLY 3 1HA GLY 3 6.428 -15.557 15.856 27 2HA GLY 3 2HA GLY 3 7.266 -15.611 14.305 28 H MET 4 H MET 4 4.508 -14.785 14.734 29 HA MET 4 HA MET 4 3.070 -16.965 13.253 30 1HB MET 4 1HB MET 4 2.453 -15.273 15.565 31 2HB MET 4 2HB MET 4 1.183 -15.234 14.342 32 1HG MET 4 1HG MET 4 1.604 -17.869 14.347 33 2HG MET 4 2HG MET 4 2.169 -17.530 15.983 34 1HE MET 4 1HE MET 4 -0.122 -18.719 14.009 35 2HE MET 4 2HE MET 4 -1.391 -17.529 13.733 36 3HE MET 4 3HE MET 4 -1.627 -18.794 14.937 37 H SER 5 H SER 5 3.081 -13.402 13.691 38 HA SER 5 HA SER 5 1.692 -12.850 11.227 39 1HB SER 5 1HB SER 5 2.145 -10.589 11.820 40 2HB SER 5 2HB SER 5 2.041 -11.438 13.360 41 HG SER 5 HG SER 5 3.957 -10.602 13.643 42 H LYS 6 H LYS 6 2.764 -11.562 9.419 43 HA LYS 6 HA LYS 6 5.638 -11.880 8.999 44 1HB LYS 6 1HB LYS 6 5.423 -13.518 7.179 45 2HB LYS 6 2HB LYS 6 4.728 -14.180 8.657 46 1HG LYS 6 1HG LYS 6 2.502 -13.095 7.732 47 2HG LYS 6 2HG LYS 6 3.339 -13.205 6.183 48 1HD LYS 6 1HD LYS 6 3.049 -15.547 8.083 49 2HD LYS 6 2HD LYS 6 1.925 -15.225 6.761 50 1HE LYS 6 1HE LYS 6 4.076 -15.152 5.266 51 2HE LYS 6 2HE LYS 6 4.825 -16.035 6.612 52 1HZ LYS 6 1HZ LYS 6 3.567 -17.351 4.785 53 2HZ LYS 6 2HZ LYS 6 2.174 -16.855 5.619 54 3HZ LYS 6 3HZ LYS 6 3.358 -17.782 6.411 55 H MET 7 H MET 7 6.324 -10.514 7.314 56 HA MET 7 HA MET 7 4.644 -8.410 6.428 57 1HB MET 7 1HB MET 7 7.322 -9.520 5.871 58 2HB MET 7 2HB MET 7 6.637 -8.579 4.544 59 1HG MET 7 1HG MET 7 6.627 -6.617 5.754 60 2HG MET 7 2HG MET 7 6.399 -7.445 7.294 61 1HE MET 7 1HE MET 7 8.305 -5.121 7.354 62 2HE MET 7 2HE MET 7 8.499 -5.238 5.608 63 3HE MET 7 3HE MET 7 9.916 -5.307 6.650 64 HA PRO 8 HA PRO 8 2.347 -10.429 3.231 65 1HB PRO 8 1HB PRO 8 1.490 -8.217 1.867 66 2HB PRO 8 2HB PRO 8 0.807 -8.718 3.426 67 1HG PRO 8 1HG PRO 8 2.791 -6.587 2.830 68 2HG PRO 8 2HG PRO 8 1.474 -6.605 4.010 69 1HD PRO 8 1HD PRO 8 4.093 -7.015 4.656 70 2HD PRO 8 2HD PRO 8 2.729 -7.661 5.594 71 H GLN 9 H GLN 9 2.758 -11.122 1.110 72 HA GLN 9 HA GLN 9 5.329 -10.695 -0.048 73 1HB GLN 9 1HB GLN 9 2.699 -11.660 -1.220 74 2HB GLN 9 2HB GLN 9 4.273 -11.880 -1.985 75 1HG GLN 9 1HG GLN 9 3.652 -12.860 0.812 76 2HG GLN 9 2HG GLN 9 3.448 -13.863 -0.624 77 1HE2 GLN 9 1HE2 GLN 9 5.767 -12.658 1.652 78 2HE2 GLN 9 2HE2 GLN 9 7.152 -13.284 0.896 79 H PHE 10 H PHE 10 2.438 -8.786 -0.196 80 HA PHE 10 HA PHE 10 2.830 -7.529 -2.753 81 1HB PHE 10 1HB PHE 10 0.740 -7.570 -1.382 82 2HB PHE 10 2HB PHE 10 1.517 -6.493 -0.222 83 HD1 PHE 10 HD1 PHE 10 1.321 -4.168 -0.498 84 HD2 PHE 10 HD2 PHE 10 0.788 -6.774 -3.898 85 HE1 PHE 10 HE1 PHE 10 0.701 -2.207 -1.904 86 HE2 PHE 10 HE2 PHE 10 0.168 -4.811 -5.304 87 HZ PHE 10 HZ PHE 10 0.123 -2.526 -4.306 88 H LEU 11 H LEU 11 3.969 -6.757 0.529 89 HA LEU 11 HA LEU 11 5.326 -4.309 -0.439 90 1HB LEU 11 1HB LEU 11 5.141 -5.662 2.275 91 2HB LEU 11 2HB LEU 11 5.809 -4.055 1.983 92 HG LEU 11 HG LEU 11 2.978 -4.858 1.258 93 1HD1 LEU 11 1HD1 LEU 11 3.587 -4.826 3.767 94 2HD1 LEU 11 2HD1 LEU 11 2.230 -3.818 3.255 95 3HD1 LEU 11 3HD1 LEU 11 3.806 -3.086 3.560 96 1HD2 LEU 11 1HD2 LEU 11 3.005 -2.160 1.496 97 2HD2 LEU 11 2HD2 LEU 11 3.322 -2.991 -0.029 98 3HD2 LEU 11 3HD2 LEU 11 4.666 -2.430 0.968 99 H ASN 12 H ASN 12 6.133 -7.227 -1.133 100 HA ASN 12 HA ASN 12 8.696 -7.683 0.152 101 1HB ASN 12 1HB ASN 12 6.930 -9.188 -1.201 102 2HB ASN 12 2HB ASN 12 8.005 -8.785 -2.539 103 1HD2 ASN 12 1HD2 ASN 12 7.719 -11.459 -1.335 104 2HD2 ASN 12 2HD2 ASN 12 9.236 -11.870 -0.693 105 H ARG 13 H ARG 13 7.618 -5.704 -2.498 106 HA ARG 13 HA ARG 13 10.344 -5.497 -3.643 107 1HB ARG 13 1HB ARG 13 7.547 -4.858 -4.415 108 2HB ARG 13 2HB ARG 13 8.801 -3.817 -5.092 109 1HG ARG 13 1HG ARG 13 9.716 -5.504 -6.352 110 2HG ARG 13 2HG ARG 13 9.319 -6.746 -5.163 111 1HD ARG 13 1HD ARG 13 7.286 -7.176 -6.118 112 2HD ARG 13 2HD ARG 13 6.976 -5.459 -6.444 113 HE ARG 13 HE ARG 13 9.056 -6.851 -8.055 114 1HH1 ARG 13 1HH1 ARG 13 7.344 -4.119 -8.191 115 2HH1 ARG 13 2HH1 ARG 13 6.528 -4.420 -9.689 116 1HH2 ARG 13 1HH2 ARG 13 7.431 -7.768 -9.810 117 2HH2 ARG 13 2HH2 ARG 13 6.579 -6.486 -10.607 118 H TRP 14 H TRP 14 8.279 -3.819 -1.436 119 HA TRP 14 HA TRP 14 9.240 -1.141 -1.756 120 1HB TRP 14 1HB TRP 14 8.043 -2.769 0.487 121 2HB TRP 14 2HB TRP 14 8.426 -1.065 0.672 122 HD1 TRP 14 HD1 TRP 14 7.058 -2.515 -2.612 123 HE1 TRP 14 HE1 TRP 14 4.739 -1.473 -3.053 124 HE3 TRP 14 HE3 TRP 14 6.441 0.029 1.744 125 HZ2 TRP 14 HZ2 TRP 14 2.842 0.246 -1.702 126 HZ3 TRP 14 HZ3 TRP 14 4.374 1.363 2.172 127 HH2 TRP 14 HH2 TRP 14 2.580 1.473 0.452 128 HA PRO 15 HA PRO 15 13.319 -1.704 -0.145 129 1HB PRO 15 1HB PRO 15 13.844 0.859 0.671 130 2HB PRO 15 2HB PRO 15 13.880 0.347 -1.027 131 1HG PRO 15 1HG PRO 15 11.744 1.779 0.474 132 2HG PRO 15 2HG PRO 15 12.311 2.025 -1.186 133 1HD PRO 15 1HD PRO 15 10.025 0.683 -0.587 134 2HD PRO 15 2HD PRO 15 11.012 0.324 -2.022 135 H ARG 16 H ARG 16 14.534 -1.314 1.962 136 HA ARG 16 HA ARG 16 12.827 -2.005 4.203 137 1HB ARG 16 1HB ARG 16 14.785 -3.152 4.382 138 2HB ARG 16 2HB ARG 16 15.639 -2.021 3.353 139 1HG ARG 16 1HG ARG 16 16.312 -0.698 5.110 140 2HG ARG 16 2HG ARG 16 14.952 -1.161 6.133 141 1HD ARG 16 1HD ARG 16 16.750 -2.324 7.127 142 2HD ARG 16 2HD ARG 16 16.059 -3.553 6.048 143 HE ARG 16 HE ARG 16 18.200 -1.786 4.976 144 1HH1 ARG 16 1HH1 ARG 16 18.804 -4.145 6.983 145 2HH1 ARG 16 2HH1 ARG 16 19.336 -5.343 5.851 146 1HH2 ARG 16 1HH2 ARG 16 18.136 -3.641 3.079 147 2HH2 ARG 16 2HH2 ARG 16 18.956 -5.058 3.642 148 H GLU 17 H GLU 17 14.397 0.885 2.987 149 HA GLU 17 HA GLU 17 14.364 2.402 5.436 150 1HB GLU 17 1HB GLU 17 14.826 2.783 2.544 151 2HB GLU 17 2HB GLU 17 14.228 4.220 3.377 152 1HG GLU 17 1HG GLU 17 16.028 3.833 5.122 153 2HG GLU 17 2HG GLU 17 16.696 2.599 4.052 154 H VAL 18 H VAL 18 11.894 1.498 3.168 155 HA VAL 18 HA VAL 18 10.060 3.616 4.197 156 HB VAL 18 HB VAL 18 9.830 1.623 1.907 157 1HG1 VAL 18 1HG1 VAL 18 8.154 4.098 2.342 158 2HG1 VAL 18 2HG1 VAL 18 7.691 2.550 3.050 159 3HG1 VAL 18 3HG1 VAL 18 7.824 2.715 1.299 160 1HG2 VAL 18 1HG2 VAL 18 11.599 3.395 1.658 161 2HG2 VAL 18 2HG2 VAL 18 10.347 4.619 1.867 162 3HG2 VAL 18 3HG2 VAL 18 10.301 3.539 0.473 163 H LEU 19 H LEU 19 10.458 0.106 3.942 164 HA LEU 19 HA LEU 19 7.921 -0.638 5.044 165 1HB LEU 19 1HB LEU 19 10.621 -1.873 4.629 166 2HB LEU 19 2HB LEU 19 9.428 -2.743 5.596 167 HG LEU 19 HG LEU 19 8.865 -1.659 2.826 168 1HD1 LEU 19 1HD1 LEU 19 10.240 -4.100 3.723 169 2HD1 LEU 19 2HD1 LEU 19 10.199 -3.355 2.125 170 3HD1 LEU 19 3HD1 LEU 19 8.883 -4.409 2.640 171 1HD2 LEU 19 1HD2 LEU 19 7.289 -2.871 4.950 172 2HD2 LEU 19 2HD2 LEU 19 7.212 -3.834 3.472 173 3HD2 LEU 19 3HD2 LEU 19 6.744 -2.133 3.444 174 H ASP 20 H ASP 20 11.032 0.166 6.511 175 HA ASP 20 HA ASP 20 10.429 -0.743 9.174 176 1HB ASP 20 1HB ASP 20 12.649 -0.036 8.018 177 2HB ASP 20 2HB ASP 20 12.189 1.606 8.466 178 H LEU 21 H LEU 21 9.707 2.211 7.407 179 HA LEU 21 HA LEU 21 8.808 3.699 9.765 180 1HB LEU 21 1HB LEU 21 9.810 4.760 7.787 181 2HB LEU 21 2HB LEU 21 8.526 4.109 6.769 182 HG LEU 21 HG LEU 21 6.885 5.365 8.268 183 1HD1 LEU 21 1HD1 LEU 21 8.198 5.852 10.192 184 2HD1 LEU 21 2HD1 LEU 21 8.013 7.398 9.364 185 3HD1 LEU 21 3HD1 LEU 21 9.521 6.494 9.221 186 1HD2 LEU 21 1HD2 LEU 21 7.414 6.183 6.045 187 2HD2 LEU 21 2HD2 LEU 21 8.937 6.865 6.613 188 3HD2 LEU 21 3HD2 LEU 21 7.407 7.558 7.148 189 H VAL 22 H VAL 22 7.300 1.871 7.107 190 HA VAL 22 HA VAL 22 4.577 2.515 7.591 191 HB VAL 22 HB VAL 22 5.848 -0.077 6.647 192 1HG1 VAL 22 1HG1 VAL 22 3.188 1.064 5.799 193 2HG1 VAL 22 2HG1 VAL 22 3.326 0.039 7.229 194 3HG1 VAL 22 3HG1 VAL 22 3.776 -0.593 5.646 195 1HG2 VAL 22 1HG2 VAL 22 5.960 2.551 5.552 196 2HG2 VAL 22 2HG2 VAL 22 4.867 1.609 4.538 197 3HG2 VAL 22 3HG2 VAL 22 6.517 1.047 4.813 198 H ARG 23 H ARG 23 6.477 -0.281 8.769 199 HA ARG 23 HA ARG 23 4.485 -1.470 10.389 200 1HB ARG 23 1HB ARG 23 6.757 -2.336 9.669 201 2HB ARG 23 2HB ARG 23 7.465 -1.324 10.929 202 1HG ARG 23 1HG ARG 23 6.906 -2.801 12.537 203 2HG ARG 23 2HG ARG 23 5.240 -2.884 11.961 204 1HD ARG 23 1HD ARG 23 5.896 -5.068 11.509 205 2HD ARG 23 2HD ARG 23 6.430 -4.305 9.998 206 HE ARG 23 HE ARG 23 8.675 -3.979 11.182 207 1HH1 ARG 23 1HH1 ARG 23 7.690 -6.904 10.499 208 2HH1 ARG 23 2HH1 ARG 23 8.317 -7.735 11.882 209 1HH2 ARG 23 1HH2 ARG 23 8.941 -4.832 13.676 210 2HH2 ARG 23 2HH2 ARG 23 9.026 -6.562 13.682 211 H LYS 24 H LYS 24 6.875 1.054 11.223 212 HA LYS 24 HA LYS 24 6.095 1.209 14.011 213 1HB LYS 24 1HB LYS 24 7.660 2.939 12.085 214 2HB LYS 24 2HB LYS 24 7.454 3.378 13.782 215 1HG LYS 24 1HG LYS 24 8.363 0.599 13.178 216 2HG LYS 24 2HG LYS 24 9.531 1.903 12.963 217 1HD LYS 24 1HD LYS 24 9.809 2.107 15.187 218 2HD LYS 24 2HD LYS 24 8.071 2.257 15.439 219 1HE LYS 24 1HE LYS 24 7.782 -0.062 15.727 220 2HE LYS 24 2HE LYS 24 9.303 -0.446 14.894 221 1HZ LYS 24 1HZ LYS 24 9.499 -0.583 17.337 222 2HZ LYS 24 2HZ LYS 24 9.111 1.068 17.444 223 3HZ LYS 24 3HZ LYS 24 10.538 0.577 16.663 224 H VAL 25 H VAL 25 4.767 2.526 11.086 225 HA VAL 25 HA VAL 25 3.437 4.794 12.403 226 HB VAL 25 HB VAL 25 3.345 3.524 9.650 227 1HG1 VAL 25 1HG1 VAL 25 2.191 5.750 9.055 228 2HG1 VAL 25 2HG1 VAL 25 1.848 5.893 10.780 229 3HG1 VAL 25 3HG1 VAL 25 1.204 4.531 9.864 230 1HG2 VAL 25 1HG2 VAL 25 4.254 6.308 10.102 231 2HG2 VAL 25 2HG2 VAL 25 4.941 5.052 9.072 232 3HG2 VAL 25 3HG2 VAL 25 5.280 5.055 10.801 233 H ALA 26 H ALA 26 2.550 1.530 11.292 234 HA ALA 26 HA ALA 26 -0.289 1.804 11.677 235 1HB ALA 26 1HB ALA 26 0.021 -0.790 11.886 236 2HB ALA 26 2HB ALA 26 1.713 -0.442 11.522 237 3HB ALA 26 3HB ALA 26 0.452 -0.005 10.365 238 H GLU 27 H GLU 27 2.379 0.860 13.819 239 HA GLU 27 HA GLU 27 0.697 0.050 16.039 240 1HB GLU 27 1HB GLU 27 3.269 -0.302 15.341 241 2HB GLU 27 2HB GLU 27 3.475 1.081 16.416 242 1HG GLU 27 1HG GLU 27 2.562 -0.075 18.270 243 2HG GLU 27 2HG GLU 27 1.851 -1.323 17.245 244 H GLU 28 H GLU 28 1.896 3.105 14.840 245 HA GLU 28 HA GLU 28 1.551 4.570 17.346 246 1HB GLU 28 1HB GLU 28 2.257 5.079 14.497 247 2HB GLU 28 2HB GLU 28 1.610 6.449 15.401 248 1HG GLU 28 1HG GLU 28 3.312 5.793 17.232 249 2HG GLU 28 2HG GLU 28 4.082 4.822 15.979 250 H ASN 29 H ASN 29 -0.304 4.181 14.333 251 HA ASN 29 HA ASN 29 -2.446 5.971 15.044 252 1HB ASN 29 1HB ASN 29 -2.246 3.596 13.166 253 2HB ASN 29 2HB ASN 29 -3.581 4.750 13.166 254 1HD2 ASN 29 1HD2 ASN 29 -2.944 5.423 10.946 255 2HD2 ASN 29 2HD2 ASN 29 -1.603 6.437 10.714 256 H GLY 30 H GLY 30 -2.073 2.421 15.314 257 1HA GLY 30 1HA GLY 30 -2.974 1.403 17.422 258 2HA GLY 30 2HA GLY 30 -4.371 2.460 17.229 259 H ARG 31 H ARG 31 -2.780 0.638 14.624 260 HA ARG 31 HA ARG 31 -4.907 -1.397 14.610 261 1HB ARG 31 1HB ARG 31 -5.822 -0.676 12.455 262 2HB ARG 31 2HB ARG 31 -5.925 0.649 13.610 263 1HG ARG 31 1HG ARG 31 -3.803 1.577 12.687 264 2HG ARG 31 2HG ARG 31 -3.798 0.290 11.480 265 1HD ARG 31 1HD ARG 31 -5.100 1.615 10.177 266 2HD ARG 31 2HD ARG 31 -6.388 1.444 11.386 267 HE ARG 31 HE ARG 31 -4.252 3.518 11.700 268 1HH1 ARG 31 1HH1 ARG 31 -6.470 3.044 13.738 269 2HH1 ARG 31 2HH1 ARG 31 -7.581 4.307 13.323 270 1HH2 ARG 31 1HH2 ARG 31 -6.143 4.914 10.224 271 2HH2 ARG 31 2HH2 ARG 31 -7.394 5.368 11.333 272 H SER 32 H SER 32 -4.632 -2.306 12.007 273 HA SER 32 HA SER 32 -1.943 -3.481 12.068 274 1HB SER 32 1HB SER 32 -4.194 -3.793 10.065 275 2HB SER 32 2HB SER 32 -2.871 -4.920 10.360 276 HG SER 32 HG SER 32 -3.714 -5.048 12.556 277 H VAL 33 H VAL 33 -0.834 -3.663 9.809 278 HA VAL 33 HA VAL 33 -0.338 -0.942 8.846 279 HB VAL 33 HB VAL 33 0.765 -3.689 8.188 280 1HG1 VAL 33 1HG1 VAL 33 2.690 -2.310 7.283 281 2HG1 VAL 33 2HG1 VAL 33 1.630 -0.905 7.390 282 3HG1 VAL 33 3HG1 VAL 33 1.211 -2.247 6.327 283 1HG2 VAL 33 1HG2 VAL 33 0.982 -2.553 10.544 284 2HG2 VAL 33 2HG2 VAL 33 2.152 -1.511 9.730 285 3HG2 VAL 33 3HG2 VAL 33 2.416 -3.256 9.790 286 H ASN 34 H ASN 34 -2.040 -3.828 7.776 287 HA ASN 34 HA ASN 34 -2.204 -3.293 4.971 288 1HB ASN 34 1HB ASN 34 -2.969 -5.295 6.514 289 2HB ASN 34 2HB ASN 34 -4.491 -4.405 6.588 290 1HD2 ASN 34 1HD2 ASN 34 -5.827 -4.385 4.709 291 2HD2 ASN 34 2HD2 ASN 34 -5.440 -5.229 3.289 292 H SER 35 H SER 35 -3.809 -1.869 7.739 293 HA SER 35 HA SER 35 -5.771 -0.427 6.060 294 1HB SER 35 1HB SER 35 -6.117 -1.464 8.408 295 2HB SER 35 2HB SER 35 -5.199 -0.086 9.012 296 HG SER 35 HG SER 35 -7.424 0.361 9.001 297 H GLU 36 H GLU 36 -2.715 0.127 7.755 298 HA GLU 36 HA GLU 36 -2.711 2.976 7.774 299 1HB GLU 36 1HB GLU 36 -1.158 1.435 8.967 300 2HB GLU 36 2HB GLU 36 -0.449 0.978 7.416 301 1HG GLU 36 1HG GLU 36 -0.060 3.504 7.076 302 2HG GLU 36 2HG GLU 36 -0.349 3.639 8.810 303 H ILE 37 H ILE 37 -1.152 0.744 5.442 304 HA ILE 37 HA ILE 37 -0.413 2.691 3.513 305 HB ILE 37 HB ILE 37 -1.195 -0.236 3.265 306 1HG1 ILE 37 1HG1 ILE 37 0.646 0.274 4.866 307 2HG1 ILE 37 2HG1 ILE 37 1.211 -0.644 3.472 308 1HG2 ILE 37 1HG2 ILE 37 -0.661 1.640 1.218 309 2HG2 ILE 37 2HG2 ILE 37 -0.741 -0.116 1.062 310 3HG2 ILE 37 3HG2 ILE 37 0.805 0.671 1.385 311 1HD1 ILE 37 1HD1 ILE 37 1.368 2.117 2.792 312 2HD1 ILE 37 2HD1 ILE 37 2.693 0.978 3.016 313 3HD1 ILE 37 3HD1 ILE 37 2.102 1.922 4.383 314 H TYR 38 H TYR 38 -3.506 1.149 4.181 315 HA TYR 38 HA TYR 38 -4.786 1.787 1.673 316 1HB TYR 38 1HB TYR 38 -5.574 0.038 3.164 317 2HB TYR 38 2HB TYR 38 -5.764 1.193 4.482 318 HD1 TYR 38 HD1 TYR 38 -7.953 1.805 4.930 319 HD2 TYR 38 HD2 TYR 38 -6.783 0.985 0.864 320 HE1 TYR 38 HE1 TYR 38 -10.270 2.312 4.164 321 HE2 TYR 38 HE2 TYR 38 -9.103 1.490 0.092 322 HH TYR 38 HH TYR 38 -11.710 2.112 2.392 323 H GLN 39 H GLN 39 -4.403 3.491 4.761 324 HA GLN 39 HA GLN 39 -6.269 5.631 4.113 325 1HB GLN 39 1HB GLN 39 -5.221 4.676 6.370 326 2HB GLN 39 2HB GLN 39 -4.001 5.909 6.054 327 1HG GLN 39 1HG GLN 39 -5.797 6.823 7.463 328 2HG GLN 39 2HG GLN 39 -5.782 7.619 5.890 329 1HE2 GLN 39 1HE2 GLN 39 -7.107 4.388 6.751 330 2HE2 GLN 39 2HE2 GLN 39 -8.695 4.746 6.271 331 H ARG 40 H ARG 40 -2.684 5.502 4.312 332 HA ARG 40 HA ARG 40 -2.167 8.103 3.299 333 1HB ARG 40 1HB ARG 40 -0.699 5.460 3.275 334 2HB ARG 40 2HB ARG 40 0.036 6.920 2.613 335 1HG ARG 40 1HG ARG 40 0.566 7.633 4.678 336 2HG ARG 40 2HG ARG 40 -1.123 7.527 5.176 337 1HD ARG 40 1HD ARG 40 -0.863 5.179 5.760 338 2HD ARG 40 2HD ARG 40 0.791 5.166 5.116 339 HE ARG 40 HE ARG 40 1.495 6.258 7.088 340 1HH1 ARG 40 1HH1 ARG 40 -1.698 5.487 7.516 341 2HH1 ARG 40 2HH1 ARG 40 -2.069 6.779 8.607 342 1HH2 ARG 40 1HH2 ARG 40 0.947 8.420 8.109 343 2HH2 ARG 40 2HH2 ARG 40 -0.570 8.442 8.944 344 H VAL 41 H VAL 41 -3.190 5.191 1.690 345 HA VAL 41 HA VAL 41 -2.479 6.158 -1.011 346 HB VAL 41 HB VAL 41 -3.771 3.710 0.215 347 1HG1 VAL 41 1HG1 VAL 41 -3.175 4.076 -2.731 348 2HG1 VAL 41 2HG1 VAL 41 -4.791 4.252 -2.047 349 3HG1 VAL 41 3HG1 VAL 41 -3.958 2.701 -1.955 350 1HG2 VAL 41 1HG2 VAL 41 -1.239 4.239 0.234 351 2HG2 VAL 41 2HG2 VAL 41 -1.293 3.878 -1.491 352 3HG2 VAL 41 3HG2 VAL 41 -1.738 2.642 -0.315 353 H MET 42 H MET 42 -5.236 5.964 1.136 354 HA MET 42 HA MET 42 -7.292 6.434 -0.854 355 1HB MET 42 1HB MET 42 -6.997 5.906 1.945 356 2HB MET 42 2HB MET 42 -8.029 7.320 1.765 357 1HG MET 42 1HG MET 42 -8.546 5.027 -0.064 358 2HG MET 42 2HG MET 42 -8.997 4.820 1.627 359 1HE MET 42 1HE MET 42 -11.700 4.622 0.592 360 2HE MET 42 2HE MET 42 -12.380 5.930 1.562 361 3HE MET 42 3HE MET 42 -11.050 4.962 2.199 362 H GLU 43 H GLU 43 -5.142 8.496 1.011 363 HA GLU 43 HA GLU 43 -6.706 10.936 0.507 364 1HB GLU 43 1HB GLU 43 -4.268 10.072 1.971 365 2HB GLU 43 2HB GLU 43 -4.294 11.755 1.441 366 1HG GLU 43 1HG GLU 43 -6.786 11.604 2.428 367 2HG GLU 43 2HG GLU 43 -6.026 10.366 3.430 368 H SER 44 H SER 44 -4.133 9.166 -1.049 369 HA SER 44 HA SER 44 -2.926 11.319 -2.522 370 1HB SER 44 1HB SER 44 -2.065 9.449 -3.896 371 2HB SER 44 2HB SER 44 -1.958 9.070 -2.180 372 HG SER 44 HG SER 44 -3.823 8.160 -4.100 373 H PHE 45 H PHE 45 -5.512 8.998 -3.404 374 HA PHE 45 HA PHE 45 -6.004 9.982 -6.029 375 1HB PHE 45 1HB PHE 45 -7.697 8.608 -3.924 376 2HB PHE 45 2HB PHE 45 -8.259 8.872 -5.574 377 HD1 PHE 45 HD1 PHE 45 -7.057 6.373 -3.614 378 HD2 PHE 45 HD2 PHE 45 -6.038 8.378 -7.298 379 HE1 PHE 45 HE1 PHE 45 -5.813 4.352 -4.371 380 HE2 PHE 45 HE2 PHE 45 -4.794 6.357 -8.054 381 HZ PHE 45 HZ PHE 45 -4.683 4.342 -6.592 382 H LYS 46 H LYS 46 -7.301 10.989 -2.867 383 HA LYS 46 HA LYS 46 -9.304 12.793 -3.861 384 1HB LYS 46 1HB LYS 46 -7.703 12.586 -1.296 385 2HB LYS 46 2HB LYS 46 -9.029 13.730 -1.504 386 1HG LYS 46 1HG LYS 46 -10.430 11.684 -2.221 387 2HG LYS 46 2HG LYS 46 -9.141 10.715 -1.511 388 1HD LYS 46 1HD LYS 46 -9.416 12.101 0.601 389 2HD LYS 46 2HD LYS 46 -10.880 12.767 -0.124 390 1HE LYS 46 1HE LYS 46 -11.970 10.662 -0.126 391 2HE LYS 46 2HE LYS 46 -10.450 9.780 0.114 392 1HZ LYS 46 1HZ LYS 46 -11.520 9.942 2.224 393 2HZ LYS 46 2HZ LYS 46 -11.790 11.609 2.033 394 3HZ LYS 46 3HZ LYS 46 -10.210 11.017 2.243 395 H LYS 47 H LYS 47 -5.833 13.091 -3.410 396 HA LYS 47 HA LYS 47 -5.449 15.866 -3.254 397 1HB LYS 47 1HB LYS 47 -3.741 14.030 -3.188 398 2HB LYS 47 2HB LYS 47 -3.904 13.866 -4.936 399 1HG LYS 47 1HG LYS 47 -2.964 15.980 -5.348 400 2HG LYS 47 2HG LYS 47 -3.278 16.544 -3.706 401 1HD LYS 47 1HD LYS 47 -1.586 15.013 -2.825 402 2HD LYS 47 2HD LYS 47 -1.306 14.360 -4.440 403 1HE LYS 47 1HE LYS 47 -1.012 17.321 -3.928 404 2HE LYS 47 2HE LYS 47 0.325 16.204 -3.588 405 1HZ LYS 47 1HZ LYS 47 0.352 17.030 -5.897 406 2HZ LYS 47 2HZ LYS 47 -1.172 16.323 -6.153 407 3HZ LYS 47 3HZ LYS 47 0.176 15.345 -5.816 408 H GLU 48 H GLU 48 -6.016 13.889 -6.177 409 HA GLU 48 HA GLU 48 -6.109 16.347 -7.844 410 1HB GLU 48 1HB GLU 48 -4.959 14.012 -8.303 411 2HB GLU 48 2HB GLU 48 -6.581 13.543 -8.814 412 1HG GLU 48 1HG GLU 48 -6.395 15.891 -10.113 413 2HG GLU 48 2HG GLU 48 -4.685 15.465 -10.062 414 H GLY 49 H GLY 49 -8.217 13.993 -6.364 415 1HA GLY 49 1HA GLY 49 -10.580 14.356 -6.058 416 2HA GLY 49 2HA GLY 49 -10.550 15.475 -7.423 417 H ARG 50 H ARG 50 -9.340 12.131 -7.182 418 HA ARG 50 HA ARG 50 -10.690 11.475 -9.724 419 1HB ARG 50 1HB ARG 50 -8.583 10.362 -7.938 420 2HB ARG 50 2HB ARG 50 -9.461 9.208 -8.942 421 1HG ARG 50 1HG ARG 50 -8.853 10.362 -10.954 422 2HG ARG 50 2HG ARG 50 -8.219 11.735 -10.047 423 1HD ARG 50 1HD ARG 50 -6.198 10.694 -10.278 424 2HD ARG 50 2HD ARG 50 -6.782 9.608 -9.000 425 HE ARG 50 HE ARG 50 -7.265 7.968 -10.660 426 1HH1 ARG 50 1HH1 ARG 50 -5.053 9.978 -11.925 427 2HH1 ARG 50 2HH1 ARG 50 -5.554 9.860 -13.579 428 1HH2 ARG 50 1HH2 ARG 50 -8.541 8.266 -12.839 429 2HH2 ARG 50 2HH2 ARG 50 -7.528 8.892 -14.096 430 H ILE 51 H ILE 51 -10.930 10.669 -6.279 431 HA ILE 51 HA ILE 51 -12.940 8.573 -6.711 432 HB ILE 51 HB ILE 51 -11.920 10.051 -4.261 433 1HG1 ILE 51 1HG1 ILE 51 -11.280 7.279 -5.315 434 2HG1 ILE 51 2HG1 ILE 51 -10.250 8.694 -5.552 435 1HG2 ILE 51 1HG2 ILE 51 -14.170 8.312 -4.584 436 2HG2 ILE 51 2HG2 ILE 51 -13.530 8.999 -3.092 437 3HG2 ILE 51 3HG2 ILE 51 -12.930 7.445 -3.676 438 1HD1 ILE 51 1HD1 ILE 51 -9.662 7.186 -3.568 439 2HD1 ILE 51 2HD1 ILE 51 -11.130 7.787 -2.806 440 3HD1 ILE 51 3HD1 ILE 51 -9.834 8.905 -3.217 441 H GLY 52 H GLY 52 -12.970 11.880 -5.319 442 1HA GLY 52 1HA GLY 52 -14.820 13.398 -5.964 443 2HA GLY 52 2HA GLY 52 -15.880 11.987 -5.970 444 H ALA 53 H ALA 53 -13.490 13.189 -3.591 445 HA ALA 53 HA ALA 53 -15.190 12.478 -1.347 446 1HB ALA 53 1HB ALA 53 -12.910 12.452 -0.887 447 2HB ALA 53 2HB ALA 53 -13.340 14.041 -0.254 448 3HB ALA 53 3HB ALA 53 -12.600 13.897 -1.846 449 1H MET 1 1H MET 1 -11.060 -21.283 -14.479 450 2H MET 1 2H MET 1 -10.480 -20.944 -16.038 451 3H MET 1 3H MET 1 -11.030 -19.683 -15.040 452 HA MET 1 HA MET 1 -9.181 -19.797 -13.634 453 1HB MET 1 1HB MET 1 -9.179 -22.562 -14.780 454 2HB MET 1 2HB MET 1 -7.650 -21.919 -14.180 455 1HG MET 1 1HG MET 1 -8.993 -21.264 -12.063 456 2HG MET 1 2HG MET 1 -10.210 -22.386 -12.664 457 1HE MET 1 1HE MET 1 -8.907 -22.923 -9.816 458 2HE MET 1 2HE MET 1 -8.851 -24.673 -10.023 459 3HE MET 1 3HE MET 1 -10.190 -23.754 -10.704 460 H LYS 2 H LYS 2 -9.749 -19.135 -16.630 461 HA LYS 2 HA LYS 2 -7.113 -19.322 -17.898 462 1HB LYS 2 1HB LYS 2 -9.703 -17.882 -18.546 463 2HB LYS 2 2HB LYS 2 -8.315 -17.937 -19.632 464 1HG LYS 2 1HG LYS 2 -8.839 -20.604 -18.759 465 2HG LYS 2 2HG LYS 2 -10.360 -19.901 -19.288 466 1HD LYS 2 1HD LYS 2 -7.868 -19.606 -20.950 467 2HD LYS 2 2HD LYS 2 -8.883 -21.043 -21.080 468 1HE LYS 2 1HE LYS 2 -10.310 -19.911 -22.418 469 2HE LYS 2 2HE LYS 2 -10.570 -18.714 -21.133 470 1HZ LYS 2 1HZ LYS 2 -8.746 -17.461 -21.825 471 2HZ LYS 2 2HZ LYS 2 -9.513 -17.888 -23.280 472 3HZ LYS 2 3HZ LYS 2 -8.117 -18.716 -22.778 473 H GLY 3 H GLY 3 -5.815 -18.162 -16.271 474 1HA GLY 3 1HA GLY 3 -5.501 -15.370 -16.861 475 2HA GLY 3 2HA GLY 3 -6.310 -15.562 -15.305 476 H MET 4 H MET 4 -3.647 -14.472 -15.719 477 HA MET 4 HA MET 4 -1.996 -16.575 -14.352 478 1HB MET 4 1HB MET 4 -1.566 -14.735 -16.594 479 2HB MET 4 2HB MET 4 -0.288 -14.636 -15.384 480 1HG MET 4 1HG MET 4 -0.472 -17.294 -15.500 481 2HG MET 4 2HG MET 4 -1.083 -16.937 -17.115 482 1HE MET 4 1HE MET 4 1.329 -17.996 -15.211 483 2HE MET 4 2HE MET 4 2.488 -16.708 -14.895 484 3HE MET 4 3HE MET 4 2.820 -17.895 -16.155 485 H SER 5 H SER 5 -2.338 -13.010 -14.636 486 HA SER 5 HA SER 5 -0.966 -12.441 -12.166 487 1HB SER 5 1HB SER 5 -1.630 -10.207 -12.653 488 2HB SER 5 2HB SER 5 -1.472 -10.976 -14.230 489 HG SER 5 HG SER 5 -3.458 -10.305 -14.455 490 H LYS 6 H LYS 6 -2.126 -11.327 -10.290 491 HA LYS 6 HA LYS 6 -4.954 -11.920 -9.856 492 1HB LYS 6 1HB LYS 6 -4.568 -13.610 -8.112 493 2HB LYS 6 2HB LYS 6 -3.836 -14.140 -9.625 494 1HG LYS 6 1HG LYS 6 -1.704 -12.904 -8.675 495 2HG LYS 6 2HG LYS 6 -2.507 -13.151 -7.125 496 1HD LYS 6 1HD LYS 6 -2.034 -15.377 -9.124 497 2HD LYS 6 2HD LYS 6 -0.927 -15.013 -7.800 498 1HE LYS 6 1HE LYS 6 -3.053 -15.193 -6.284 499 2HE LYS 6 2HE LYS 6 -3.741 -16.081 -7.657 500 1HZ LYS 6 1HZ LYS 6 -2.347 -17.358 -5.901 501 2HZ LYS 6 2HZ LYS 6 -1.015 -16.704 -6.727 502 3HZ LYS 6 3HZ LYS 6 -2.123 -17.698 -7.547 503 H MET 7 H MET 7 -5.735 -10.688 -8.107 504 HA MET 7 HA MET 7 -4.236 -8.482 -7.147 505 1HB MET 7 1HB MET 7 -6.794 -9.856 -6.610 506 2HB MET 7 2HB MET 7 -6.180 -8.911 -5.252 507 1HG MET 7 1HG MET 7 -6.366 -6.909 -6.379 508 2HG MET 7 2HG MET 7 -6.084 -7.649 -7.955 509 1HE MET 7 1HE MET 7 -8.193 -5.508 -7.896 510 2HE MET 7 2HE MET 7 -8.352 -5.715 -6.154 511 3HE MET 7 3HE MET 7 -9.771 -5.870 -7.185 512 HA PRO 8 HA PRO 8 -1.725 -10.427 -4.063 513 1HB PRO 8 1HB PRO 8 -1.051 -8.209 -2.611 514 2HB PRO 8 2HB PRO 8 -0.345 -8.580 -4.196 515 1HG PRO 8 1HG PRO 8 -2.501 -6.659 -3.488 516 2HG PRO 8 2HG PRO 8 -1.202 -6.510 -4.680 517 1HD PRO 8 1HD PRO 8 -3.784 -7.123 -5.320 518 2HD PRO 8 2HD PRO 8 -2.380 -7.604 -6.298 519 H GLN 9 H GLN 9 -2.046 -11.243 -1.970 520 HA GLN 9 HA GLN 9 -4.629 -11.098 -0.773 521 1HB GLN 9 1HB GLN 9 -1.909 -11.868 0.336 522 2HB GLN 9 2HB GLN 9 -3.447 -12.261 1.103 523 1HG GLN 9 1HG GLN 9 -2.777 -13.062 -1.737 524 2HG GLN 9 2HG GLN 9 -2.464 -14.102 -0.348 525 1HE2 GLN 9 1HE2 GLN 9 -4.910 -13.018 -2.547 526 2HE2 GLN 9 2HE2 GLN 9 -6.222 -13.802 -1.809 527 H PHE 10 H PHE 10 -1.924 -8.941 -0.570 528 HA PHE 10 HA PHE 10 -2.389 -7.833 2.042 529 1HB PHE 10 1HB PHE 10 -0.326 -7.625 0.648 530 2HB PHE 10 2HB PHE 10 -1.215 -6.578 -0.458 531 HD1 PHE 10 HD1 PHE 10 -1.207 -4.256 -0.089 532 HD2 PHE 10 HD2 PHE 10 -0.428 -6.942 3.197 533 HE1 PHE 10 HE1 PHE 10 -0.749 -2.305 1.394 534 HE2 PHE 10 HE2 PHE 10 0.030 -4.991 4.682 535 HZ PHE 10 HZ PHE 10 -0.130 -2.674 3.781 536 H LEU 11 H LEU 11 -3.636 -7.029 -1.192 537 HA LEU 11 HA LEU 11 -5.197 -4.761 -0.106 538 1HB LEU 11 1HB LEU 11 -4.931 -5.975 -2.877 539 2HB LEU 11 2HB LEU 11 -5.733 -4.448 -2.507 540 HG LEU 11 HG LEU 11 -2.833 -5.025 -1.851 541 1HD1 LEU 11 1HD1 LEU 11 -3.476 -4.940 -4.349 542 2HD1 LEU 11 2HD1 LEU 11 -2.207 -3.839 -3.806 543 3HD1 LEU 11 3HD1 LEU 11 -3.844 -3.238 -4.064 544 1HD2 LEU 11 1HD2 LEU 11 -3.097 -2.333 -1.970 545 2HD2 LEU 11 2HD2 LEU 11 -3.323 -3.252 -0.481 546 3HD2 LEU 11 3HD2 LEU 11 -4.722 -2.768 -1.441 547 H ASN 12 H ASN 12 -5.731 -7.763 0.474 548 HA ASN 12 HA ASN 12 -8.258 -8.396 -0.808 549 1HB ASN 12 1HB ASN 12 -6.345 -9.787 0.460 550 2HB ASN 12 2HB ASN 12 -7.433 -9.541 1.826 551 1HD2 ASN 12 1HD2 ASN 12 -6.924 -12.124 0.503 552 2HD2 ASN 12 2HD2 ASN 12 -8.407 -12.644 -0.137 553 H ARG 13 H ARG 13 -7.329 -6.442 1.917 554 HA ARG 13 HA ARG 13 -10.040 -6.533 3.095 555 1HB ARG 13 1HB ARG 13 -7.310 -5.671 3.866 556 2HB ARG 13 2HB ARG 13 -8.643 -4.779 4.599 557 1HG ARG 13 1HG ARG 13 -9.383 -6.593 5.792 558 2HG ARG 13 2HG ARG 13 -8.893 -7.743 4.548 559 1HD ARG 13 1HD ARG 13 -6.818 -8.026 5.463 560 2HD ARG 13 2HD ARG 13 -6.658 -6.303 5.859 561 HE ARG 13 HE ARG 13 -8.580 -7.944 7.431 562 1HH1 ARG 13 1HH1 ARG 13 -7.116 -5.077 7.664 563 2HH1 ARG 13 2HH1 ARG 13 -6.257 -5.366 9.141 564 1HH2 ARG 13 1HH2 ARG 13 -6.853 -8.784 9.126 565 2HH2 ARG 13 2HH2 ARG 13 -6.111 -7.465 9.971 566 H TRP 14 H TRP 14 -8.170 -4.579 0.946 567 HA TRP 14 HA TRP 14 -9.366 -2.014 1.387 568 1HB TRP 14 1HB TRP 14 -8.062 -3.430 -0.940 569 2HB TRP 14 2HB TRP 14 -8.595 -1.760 -1.040 570 HD1 TRP 14 HD1 TRP 14 -7.055 -3.225 2.159 571 HE1 TRP 14 HE1 TRP 14 -4.823 -2.011 2.611 572 HE3 TRP 14 HE3 TRP 14 -6.737 -0.461 -2.089 573 HZ2 TRP 14 HZ2 TRP 14 -3.104 -0.089 1.307 574 HZ3 TRP 14 HZ3 TRP 14 -4.796 1.056 -2.492 575 HH2 TRP 14 HH2 TRP 14 -2.985 1.244 -0.795 576 HA PRO 15 HA PRO 15 -13.390 -2.878 -0.210 577 1HB PRO 15 1HB PRO 15 -14.160 -0.341 -0.915 578 2HB PRO 15 2HB PRO 15 -14.130 -0.923 0.760 579 1HG PRO 15 1HG PRO 15 -12.150 0.759 -0.697 580 2HG PRO 15 2HG PRO 15 -12.710 0.880 0.977 581 1HD PRO 15 1HD PRO 15 -10.320 -0.220 0.297 582 2HD PRO 15 2HD PRO 15 -11.250 -0.727 1.728 583 H ARG 16 H ARG 16 -14.670 -2.506 -2.290 584 HA ARG 16 HA ARG 16 -12.930 -2.947 -4.570 585 1HB ARG 16 1HB ARG 16 -14.770 -4.258 -4.795 586 2HB ARG 16 2HB ARG 16 -15.710 -3.269 -3.698 587 1HG ARG 16 1HG ARG 16 -16.530 -1.926 -5.377 588 2HG ARG 16 2HG ARG 16 -15.160 -2.213 -6.441 589 1HD ARG 16 1HD ARG 16 -16.860 -3.490 -7.467 590 2HD ARG 16 2HD ARG 16 -16.040 -4.697 -6.453 591 HE ARG 16 HE ARG 16 -18.310 -3.183 -5.275 592 1HH1 ARG 16 1HH1 ARG 16 -18.730 -5.502 -7.382 593 2HH1 ARG 16 2HH1 ARG 16 -19.130 -6.790 -6.296 594 1HH2 ARG 16 1HH2 ARG 16 -18.050 -5.101 -3.467 595 2HH2 ARG 16 2HH2 ARG 16 -18.750 -6.563 -4.082 596 H GLU 17 H GLU 17 -14.740 -0.264 -3.216 597 HA GLU 17 HA GLU 17 -14.880 1.351 -5.596 598 1HB GLU 17 1HB GLU 17 -15.330 1.564 -2.690 599 2HB GLU 17 2HB GLU 17 -14.870 3.084 -3.461 600 1HG GLU 17 1HG GLU 17 -16.650 2.616 -5.205 601 2HG GLU 17 2HG GLU 17 -17.200 1.281 -4.188 602 H VAL 18 H VAL 18 -12.300 0.583 -3.397 603 HA VAL 18 HA VAL 18 -10.680 2.896 -4.361 604 HB VAL 18 HB VAL 18 -10.220 0.844 -2.162 605 1HG1 VAL 18 1HG1 VAL 18 -8.812 3.488 -2.502 606 2HG1 VAL 18 2HG1 VAL 18 -8.222 2.038 -3.315 607 3HG1 VAL 18 3HG1 VAL 18 -8.315 2.086 -1.555 608 1HG2 VAL 18 1HG2 VAL 18 -12.150 2.425 -1.811 609 2HG2 VAL 18 2HG2 VAL 18 -11.020 3.770 -1.979 610 3HG2 VAL 18 3HG2 VAL 18 -10.850 2.636 -0.638 611 H LEU 19 H LEU 19 -10.760 -0.644 -4.244 612 HA LEU 19 HA LEU 19 -8.184 -1.111 -5.406 613 1HB LEU 19 1HB LEU 19 -10.750 -2.600 -5.016 614 2HB LEU 19 2HB LEU 19 -9.503 -3.319 -6.028 615 HG LEU 19 HG LEU 19 -9.004 -2.299 -3.220 616 1HD1 LEU 19 1HD1 LEU 19 -10.170 -4.813 -4.206 617 2HD1 LEU 19 2HD1 LEU 19 -10.170 -4.137 -2.578 618 3HD1 LEU 19 3HD1 LEU 19 -8.775 -5.047 -3.154 619 1HD2 LEU 19 1HD2 LEU 19 -7.352 -3.276 -5.406 620 2HD2 LEU 19 2HD2 LEU 19 -7.170 -4.288 -3.972 621 3HD2 LEU 19 3HD2 LEU 19 -6.858 -2.555 -3.874 622 H ASP 20 H ASP 20 -11.370 -0.524 -6.804 623 HA ASP 20 HA ASP 20 -10.720 -1.266 -9.511 624 1HB ASP 20 1HB ASP 20 -12.980 -0.812 -8.303 625 2HB ASP 20 2HB ASP 20 -12.680 0.883 -8.684 626 H LEU 21 H LEU 21 -10.240 1.663 -7.621 627 HA LEU 21 HA LEU 21 -9.518 3.324 -9.922 628 1HB LEU 21 1HB LEU 21 -10.580 4.211 -7.892 629 2HB LEU 21 2HB LEU 21 -9.236 3.633 -6.913 630 HG LEU 21 HG LEU 21 -7.730 5.092 -8.377 631 1HD1 LEU 21 1HD1 LEU 21 -9.107 5.552 -10.260 632 2HD1 LEU 21 2HD1 LEU 21 -9.048 7.067 -9.360 633 3HD1 LEU 21 3HD1 LEU 21 -10.460 6.028 -9.245 634 1HD2 LEU 21 1HD2 LEU 21 -8.339 5.724 -6.093 635 2HD2 LEU 21 2HD2 LEU 21 -9.873 6.381 -6.657 636 3HD2 LEU 21 3HD2 LEU 21 -8.359 7.155 -7.123 637 H VAL 22 H VAL 22 -7.816 1.532 -7.362 638 HA VAL 22 HA VAL 22 -5.169 2.441 -7.845 639 HB VAL 22 HB VAL 22 -6.191 -0.293 -7.000 640 1HG1 VAL 22 1HG1 VAL 22 -3.633 1.047 -6.130 641 2HG1 VAL 22 2HG1 VAL 22 -3.696 0.071 -7.596 642 3HG1 VAL 22 3HG1 VAL 22 -4.070 -0.662 -6.036 643 1HG2 VAL 22 1HG2 VAL 22 -6.520 2.264 -5.788 644 2HG2 VAL 22 2HG2 VAL 22 -5.337 1.377 -4.828 645 3HG2 VAL 22 3HG2 VAL 22 -6.935 0.687 -5.115 646 H ARG 23 H ARG 23 -6.827 -0.464 -9.123 647 HA ARG 23 HA ARG 23 -4.759 -1.402 -10.809 648 1HB ARG 23 1HB ARG 23 -6.935 -2.497 -10.107 649 2HB ARG 23 2HB ARG 23 -7.746 -1.501 -11.317 650 1HG ARG 23 1HG ARG 23 -7.080 -2.855 -12.990 651 2HG ARG 23 2HG ARG 23 -5.406 -2.812 -12.435 652 1HD ARG 23 1HD ARG 23 -5.856 -5.063 -12.072 653 2HD ARG 23 2HD ARG 23 -6.436 -4.416 -10.523 654 HE ARG 23 HE ARG 23 -8.717 -4.244 -11.670 655 1HH1 ARG 23 1HH1 ARG 23 -7.468 -7.091 -11.120 656 2HH1 ARG 23 2HH1 ARG 23 -8.032 -7.921 -12.533 657 1HH2 ARG 23 1HH2 ARG 23 -8.943 -5.010 -14.192 658 2HH2 ARG 23 2HH2 ARG 23 -8.869 -6.738 -14.275 659 H LYS 24 H LYS 24 -7.374 0.929 -11.509 660 HA LYS 24 HA LYS 24 -6.652 1.271 -14.297 661 1HB LYS 24 1HB LYS 24 -8.339 2.774 -12.286 662 2HB LYS 24 2HB LYS 24 -8.194 3.296 -13.964 663 1HG LYS 24 1HG LYS 24 -8.841 0.426 -13.468 664 2HG LYS 24 2HG LYS 24 -10.110 1.609 -13.187 665 1HD LYS 24 1HD LYS 24 -10.440 1.882 -15.399 666 2HD LYS 24 2HD LYS 24 -8.726 2.194 -15.658 667 1HE LYS 24 1HE LYS 24 -8.239 -0.076 -16.046 668 2HE LYS 24 2HE LYS 24 -9.709 -0.626 -15.217 669 1HZ LYS 24 1HZ LYS 24 -9.923 -0.683 -17.661 670 2HZ LYS 24 2HZ LYS 24 -9.683 0.999 -17.704 671 3HZ LYS 24 3HZ LYS 24 -11.050 0.354 -16.932 672 H VAL 25 H VAL 25 -5.406 2.576 -11.332 673 HA VAL 25 HA VAL 25 -4.303 5.010 -12.561 674 HB VAL 25 HB VAL 25 -4.061 3.639 -9.869 675 1HG1 VAL 25 1HG1 VAL 25 -3.102 5.929 -9.182 676 2HG1 VAL 25 2HG1 VAL 25 -2.797 6.182 -10.901 677 3HG1 VAL 25 3HG1 VAL 25 -2.021 4.842 -10.055 678 1HG2 VAL 25 1HG2 VAL 25 -5.221 6.347 -10.185 679 2HG2 VAL 25 2HG2 VAL 25 -5.780 4.989 -9.206 680 3HG2 VAL 25 3HG2 VAL 25 -6.141 5.040 -10.932 681 H ALA 26 H ALA 26 -3.110 1.795 -11.600 682 HA ALA 26 HA ALA 26 -0.316 2.342 -11.999 683 1HB ALA 26 1HB ALA 26 -0.396 -0.259 -12.319 684 2HB ALA 26 2HB ALA 26 -2.104 -0.081 -11.918 685 3HB ALA 26 3HB ALA 26 -0.868 0.420 -10.761 686 H GLU 27 H GLU 27 -2.914 1.250 -14.153 687 HA GLU 27 HA GLU 27 -1.198 0.689 -16.425 688 1HB GLU 27 1HB GLU 27 -3.718 0.078 -15.718 689 2HB GLU 27 2HB GLU 27 -4.062 1.481 -16.730 690 1HG GLU 27 1HG GLU 27 -3.073 0.488 -18.638 691 2HG GLU 27 2HG GLU 27 -2.241 -0.733 -17.674 692 H GLU 28 H GLU 28 -2.650 3.568 -15.082 693 HA GLU 28 HA GLU 28 -2.471 5.167 -17.527 694 1HB GLU 28 1HB GLU 28 -3.183 5.488 -14.652 695 2HB GLU 28 2HB GLU 28 -2.674 6.948 -15.503 696 1HG GLU 28 1HG GLU 28 -4.329 6.219 -17.345 697 2HG GLU 28 2HG GLU 28 -4.994 5.128 -16.130 698 H ASN 29 H ASN 29 -0.549 4.820 -14.550 699 HA ASN 29 HA ASN 29 1.414 6.824 -15.205 700 1HB ASN 29 1HB ASN 29 1.453 4.362 -13.430 701 2HB ASN 29 2HB ASN 29 2.677 5.631 -13.392 702 1HD2 ASN 29 1HD2 ASN 29 2.012 6.149 -11.137 703 2HD2 ASN 29 2HD2 ASN 29 0.589 7.031 -10.853 704 H GLY 30 H GLY 30 1.359 3.267 -15.621 705 1HA GLY 30 1HA GLY 30 2.318 2.424 -17.782 706 2HA GLY 30 2HA GLY 30 3.617 3.594 -17.557 707 H ARG 31 H ARG 31 2.231 1.528 -15.018 708 HA ARG 31 HA ARG 31 4.534 -0.304 -15.111 709 1HB ARG 31 1HB ARG 31 5.406 0.406 -12.933 710 2HB ARG 31 2HB ARG 31 5.374 1.782 -14.035 711 1HG ARG 31 1HG ARG 31 3.191 2.477 -13.053 712 2HG ARG 31 2HG ARG 31 3.314 1.146 -11.902 713 1HD ARG 31 1HD ARG 31 4.511 2.522 -10.555 714 2HD ARG 31 2HD ARG 31 5.794 2.517 -11.783 715 HE ARG 31 HE ARG 31 3.479 4.402 -11.991 716 1HH1 ARG 31 1HH1 ARG 31 5.701 4.224 -14.067 717 2HH1 ARG 31 2HH1 ARG 31 6.699 5.561 -13.606 718 1HH2 ARG 31 1HH2 ARG 31 5.252 5.906 -10.474 719 2HH2 ARG 31 2HH2 ARG 31 6.445 6.514 -11.572 720 H SER 32 H SER 32 4.374 -1.342 -12.548 721 HA SER 32 HA SER 32 1.801 -2.752 -12.634 722 1HB SER 32 1HB SER 32 4.097 -2.944 -10.668 723 2HB SER 32 2HB SER 32 2.878 -4.173 -10.998 724 HG SER 32 HG SER 32 3.701 -4.123 -13.209 725 H VAL 33 H VAL 33 0.744 -3.128 -10.374 726 HA VAL 33 HA VAL 33 0.022 -0.507 -9.289 727 HB VAL 33 HB VAL 33 -0.822 -3.366 -8.735 728 1HG1 VAL 33 1HG1 VAL 33 -2.856 -2.205 -7.764 729 2HG1 VAL 33 2HG1 VAL 33 -1.926 -0.707 -7.816 730 3HG1 VAL 33 3HG1 VAL 33 -1.379 -2.050 -6.814 731 1HG2 VAL 33 1HG2 VAL 33 -1.172 -2.160 -11.041 732 2HG2 VAL 33 2HG2 VAL 33 -2.420 -1.264 -10.173 733 3HG2 VAL 33 3HG2 VAL 33 -2.526 -3.020 -10.304 734 H ASN 34 H ASN 34 1.993 -3.269 -8.363 735 HA ASN 34 HA ASN 34 2.142 -2.842 -5.538 736 1HB ASN 34 1HB ASN 34 3.066 -4.700 -7.170 737 2HB ASN 34 2HB ASN 34 4.497 -3.671 -7.228 738 1HD2 ASN 34 1HD2 ASN 34 5.869 -3.621 -5.375 739 2HD2 ASN 34 2HD2 ASN 34 5.581 -4.548 -3.982 740 H SER 35 H SER 35 3.578 -1.165 -8.257 741 HA SER 35 HA SER 35 5.423 0.380 -6.538 742 1HB SER 35 1HB SER 35 5.825 -0.521 -8.932 743 2HB SER 35 2HB SER 35 4.779 0.794 -9.465 744 HG SER 35 HG SER 35 6.957 1.436 -9.457 745 H GLU 36 H GLU 36 2.308 0.726 -8.181 746 HA GLU 36 HA GLU 36 2.046 3.560 -8.073 747 1HB GLU 36 1HB GLU 36 0.621 1.935 -9.315 748 2HB GLU 36 2HB GLU 36 -0.022 1.355 -7.778 749 1HG GLU 36 1HG GLU 36 -0.633 3.820 -7.331 750 2HG GLU 36 2HG GLU 36 -0.380 4.050 -9.060 751 H ILE 37 H ILE 37 0.722 1.102 -5.826 752 HA ILE 37 HA ILE 37 -0.161 2.890 -3.808 753 HB ILE 37 HB ILE 37 0.885 0.039 -3.691 754 1HG1 ILE 37 1HG1 ILE 37 -1.017 0.448 -5.253 755 2HG1 ILE 37 2HG1 ILE 37 -1.477 -0.576 -3.894 756 1HG2 ILE 37 1HG2 ILE 37 0.210 1.773 -1.561 757 2HG2 ILE 37 2HG2 ILE 37 0.451 0.028 -1.481 758 3HG2 ILE 37 3HG2 ILE 37 -1.166 0.682 -1.757 759 1HD1 ILE 37 1HD1 ILE 37 -1.872 2.126 -3.087 760 2HD1 ILE 37 2HD1 ILE 37 -3.094 0.886 -3.358 761 3HD1 ILE 37 3HD1 ILE 37 -2.604 1.940 -4.683 762 H TYR 38 H TYR 38 3.048 1.651 -4.563 763 HA TYR 38 HA TYR 38 4.296 2.294 -2.043 764 1HB TYR 38 1HB TYR 38 5.224 0.695 -3.619 765 2HB TYR 38 2HB TYR 38 5.293 1.922 -4.885 766 HD1 TYR 38 HD1 TYR 38 7.422 2.724 -5.324 767 HD2 TYR 38 HD2 TYR 38 6.357 1.674 -1.283 768 HE1 TYR 38 HE1 TYR 38 9.694 3.409 -4.552 769 HE2 TYR 38 HE2 TYR 38 8.627 2.358 -0.502 770 HH TYR 38 HH TYR 38 11.161 3.294 -2.801 771 H GLN 39 H GLN 39 3.727 4.093 -5.052 772 HA GLN 39 HA GLN 39 5.398 6.364 -4.331 773 1HB GLN 39 1HB GLN 39 4.415 5.412 -6.618 774 2HB GLN 39 2HB GLN 39 3.089 6.512 -6.238 775 1HG GLN 39 1HG GLN 39 4.771 7.649 -7.623 776 2HG GLN 39 2HG GLN 39 4.706 8.374 -6.017 777 1HE2 GLN 39 1HE2 GLN 39 6.312 5.318 -7.034 778 2HE2 GLN 39 2HE2 GLN 39 7.868 5.801 -6.558 779 H ARG 40 H ARG 40 1.837 5.923 -4.501 780 HA ARG 40 HA ARG 40 1.106 8.422 -3.373 781 1HB ARG 40 1HB ARG 40 -0.120 5.659 -3.455 782 2HB ARG 40 2HB ARG 40 -0.974 7.016 -2.722 783 1HG ARG 40 1HG ARG 40 -1.594 7.768 -4.749 784 2HG ARG 40 2HG ARG 40 0.091 7.837 -5.266 785 1HD ARG 40 1HD ARG 40 0.037 5.503 -5.952 786 2HD ARG 40 2HD ARG 40 -1.597 5.309 -5.289 787 HE ARG 40 HE ARG 40 -2.429 6.415 -7.206 788 1HH1 ARG 40 1HH1 ARG 40 0.814 5.957 -7.698 789 2HH1 ARG 40 2HH1 ARG 40 1.052 7.323 -8.735 790 1HH2 ARG 40 1HH2 ARG 40 -2.090 8.661 -8.136 791 2HH2 ARG 40 2HH2 ARG 40 -0.592 8.852 -8.985 792 H VAL 41 H VAL 41 2.407 5.546 -1.901 793 HA VAL 41 HA VAL 41 1.646 6.329 0.845 794 HB VAL 41 HB VAL 41 3.141 4.067 -0.502 795 1HG1 VAL 41 1HG1 VAL 41 2.557 4.241 2.465 796 2HG1 VAL 41 2HG1 VAL 41 4.139 4.604 1.773 797 3HG1 VAL 41 3HG1 VAL 41 3.457 2.984 1.615 798 1HG2 VAL 41 1HG2 VAL 41 0.575 4.354 -0.475 799 2HG2 VAL 41 2HG2 VAL 41 0.682 3.937 1.235 800 3HG2 VAL 41 3HG2 VAL 41 1.226 2.789 0.011 801 H MET 42 H MET 42 4.381 6.477 -1.335 802 HA MET 42 HA MET 42 6.415 7.051 0.649 803 1HB MET 42 1HB MET 42 6.128 6.614 -2.167 804 2HB MET 42 2HB MET 42 7.031 8.109 -1.934 805 1HG MET 42 1HG MET 42 7.779 5.801 -0.210 806 2HG MET 42 2HG MET 42 8.222 5.702 -1.914 807 1HE MET 42 1HE MET 42 10.950 5.707 -0.914 808 2HE MET 42 2HE MET 42 11.494 7.111 -1.833 809 3HE MET 42 3HE MET 42 10.251 6.054 -2.501 810 H GLU 43 H GLU 43 4.062 8.987 -1.105 811 HA GLU 43 HA GLU 43 5.404 11.535 -0.508 812 1HB GLU 43 1HB GLU 43 3.036 10.519 -1.989 813 2HB GLU 43 2HB GLU 43 2.920 12.173 -1.386 814 1HG GLU 43 1HG GLU 43 5.400 12.290 -2.401 815 2HG GLU 43 2HG GLU 43 4.743 11.032 -3.449 816 H SER 44 H SER 44 3.023 9.475 0.994 817 HA SER 44 HA SER 44 1.646 11.446 2.569 818 1HB SER 44 1HB SER 44 0.980 9.447 3.869 819 2HB SER 44 2HB SER 44 0.883 9.132 2.139 820 HG SER 44 HG SER 44 2.852 8.322 4.000 821 H PHE 45 H PHE 45 4.443 9.335 3.325 822 HA PHE 45 HA PHE 45 4.880 10.249 5.986 823 1HB PHE 45 1HB PHE 45 6.660 9.126 3.808 824 2HB PHE 45 2HB PHE 45 7.216 9.367 5.463 825 HD1 PHE 45 HD1 PHE 45 6.240 6.850 3.413 826 HD2 PHE 45 HD2 PHE 45 5.047 8.609 7.170 827 HE1 PHE 45 HE1 PHE 45 5.194 4.692 4.091 828 HE2 PHE 45 HE2 PHE 45 4.002 6.451 7.849 829 HZ PHE 45 HZ PHE 45 4.078 4.491 6.312 830 H LYS 46 H LYS 46 6.037 11.501 2.857 831 HA LYS 46 HA LYS 46 7.886 13.432 3.909 832 1HB LYS 46 1HB LYS 46 6.277 13.194 1.351 833 2HB LYS 46 2HB LYS 46 7.496 14.444 1.598 834 1HG LYS 46 1HG LYS 46 9.089 12.509 2.212 835 2HG LYS 46 2HG LYS 46 7.881 11.454 1.477 836 1HD LYS 46 1HD LYS 46 7.999 12.945 -0.579 837 2HD LYS 46 2HD LYS 46 9.406 13.709 0.157 838 1HE LYS 46 1HE LYS 46 10.686 11.711 0.060 839 2HE LYS 46 2HE LYS 46 9.248 10.707 -0.203 840 1HZ LYS 46 1HZ LYS 46 10.269 11.054 -2.314 841 2HZ LYS 46 2HZ LYS 46 10.388 12.729 -2.055 842 3HZ LYS 46 3HZ LYS 46 8.867 12.007 -2.272 843 H LYS 47 H LYS 47 4.399 13.438 3.505 844 HA LYS 47 HA LYS 47 3.765 16.168 3.472 845 1HB LYS 47 1HB LYS 47 2.226 14.192 3.342 846 2HB LYS 47 2HB LYS 47 2.424 13.970 5.081 847 1HG LYS 47 1HG LYS 47 1.307 15.975 5.592 848 2HG LYS 47 2HG LYS 47 1.549 16.630 3.971 849 1HD LYS 47 1HD LYS 47 -0.013 14.992 3.042 850 2HD LYS 47 2HD LYS 47 -0.213 14.252 4.630 851 1HE LYS 47 1HE LYS 47 -0.777 17.192 4.246 852 2HE LYS 47 2HE LYS 47 -2.012 15.974 3.872 853 1HZ LYS 47 1HZ LYS 47 -2.086 16.696 6.214 854 2HZ LYS 47 2HZ LYS 47 -0.499 16.124 6.428 855 3HZ LYS 47 3HZ LYS 47 -1.755 15.039 6.060 856 H GLU 48 H GLU 48 4.548 14.133 6.302 857 HA GLU 48 HA GLU 48 4.442 16.516 8.074 858 1HB GLU 48 1HB GLU 48 3.508 14.071 8.439 859 2HB GLU 48 2HB GLU 48 5.172 13.725 8.913 860 1HG GLU 48 1HG GLU 48 4.797 15.993 10.314 861 2HG GLU 48 2HG GLU 48 3.131 15.416 10.263 862 H GLY 49 H GLY 49 6.731 14.425 6.470 863 1HA GLY 49 1HA GLY 49 9.048 15.011 6.162 864 2HA GLY 49 2HA GLY 49 8.943 16.063 7.574 865 H ARG 50 H ARG 50 8.027 12.638 7.199 866 HA ARG 50 HA ARG 50 9.468 12.000 9.696 867 1HB ARG 50 1HB ARG 50 7.440 10.780 7.884 868 2HB ARG 50 2HB ARG 50 8.430 9.666 8.828 869 1HG ARG 50 1HG ARG 50 7.748 10.675 10.895 870 2HG ARG 50 2HG ARG 50 6.985 12.025 10.055 871 1HD ARG 50 1HD ARG 50 5.065 10.798 10.257 872 2HD ARG 50 2HD ARG 50 5.727 9.823 8.930 873 HE ARG 50 HE ARG 50 6.379 8.165 10.512 874 1HH1 ARG 50 1HH1 ARG 50 4.013 9.913 11.887 875 2HH1 ARG 50 2HH1 ARG 50 4.546 9.770 13.529 876 1HH2 ARG 50 1HH2 ARG 50 7.655 8.484 12.686 877 2HH2 ARG 50 2HH2 ARG 50 6.608 8.961 13.981 878 H ILE 51 H ILE 51 9.735 11.366 6.218 879 HA ILE 51 HA ILE 51 11.925 9.441 6.538 880 HB ILE 51 HB ILE 51 10.748 10.927 4.166 881 1HG1 ILE 51 1HG1 ILE 51 10.370 8.065 5.105 882 2HG1 ILE 51 2HG1 ILE 51 9.221 9.370 5.411 883 1HG2 ILE 51 1HG2 ILE 51 13.152 9.390 4.386 884 2HG2 ILE 51 2HG2 ILE 51 12.424 10.071 2.932 885 3HG2 ILE 51 3HG2 ILE 51 11.984 8.448 3.461 886 1HD1 ILE 51 1HD1 ILE 51 8.743 7.898 3.371 887 2HD1 ILE 51 2HD1 ILE 51 10.145 8.660 2.621 888 3HD1 ILE 51 3HD1 ILE 51 8.754 9.638 3.089 889 H GLY 52 H GLY 52 11.640 12.794 5.291 890 1HA GLY 52 1HA GLY 52 13.362 14.441 5.985 891 2HA GLY 52 2HA GLY 52 14.544 13.132 5.918 892 H ALA 53 H ALA 53 12.023 14.217 3.616 893 HA ALA 53 HA ALA 53 13.747 13.756 1.330 894 1HB ALA 53 1HB ALA 53 11.469 13.544 0.890 895 2HB ALA 53 2HB ALA 53 11.749 15.191 0.323 896 3HB ALA 53 3HB ALA 53 11.042 14.914 1.914 Start of MODEL 2 1 1H MET 1 1H MET 1 7.463 -24.225 15.654 2 2H MET 1 2H MET 1 6.573 -24.091 17.095 3 3H MET 1 3H MET 1 8.249 -24.364 17.151 4 HA MET 1 HA MET 1 8.079 -22.097 17.615 5 1HB MET 1 1HB MET 1 9.147 -23.130 15.216 6 2HB MET 1 2HB MET 1 8.385 -21.602 14.776 7 1HG MET 1 1HG MET 1 9.617 -20.472 16.601 8 2HG MET 1 2HG MET 1 10.397 -21.999 17.011 9 1HE MET 1 1HE MET 1 13.562 -21.321 15.456 10 2HE MET 1 2HE MET 1 12.557 -21.958 16.754 11 3HE MET 1 3HE MET 1 12.746 -20.217 16.570 12 H LYS 2 H LYS 2 7.161 -19.938 16.940 13 HA LYS 2 HA LYS 2 4.430 -20.239 15.726 14 1HB LYS 2 1HB LYS 2 5.150 -19.618 18.345 15 2HB LYS 2 2HB LYS 2 4.801 -18.045 17.627 16 1HG LYS 2 1HG LYS 2 2.590 -18.669 17.056 17 2HG LYS 2 2HG LYS 2 2.932 -20.386 17.264 18 1HD LYS 2 1HD LYS 2 2.864 -20.258 19.588 19 2HD LYS 2 2HD LYS 2 3.254 -18.538 19.605 20 1HE LYS 2 1HE LYS 2 0.823 -18.751 18.175 21 2HE LYS 2 2HE LYS 2 0.647 -19.781 19.611 22 1HZ LYS 2 1HZ LYS 2 1.225 -18.038 21.026 23 2HZ LYS 2 2HZ LYS 2 0.194 -17.300 19.896 24 3HZ LYS 2 3HZ LYS 2 1.876 -17.096 19.775 25 H GLY 3 H GLY 3 4.245 -19.027 13.890 26 1HA GLY 3 1HA GLY 3 6.154 -16.780 13.475 27 2HA GLY 3 2HA GLY 3 5.241 -17.589 12.199 28 H MET 4 H MET 4 2.775 -17.507 13.937 29 HA MET 4 HA MET 4 0.896 -16.099 14.145 30 1HB MET 4 1HB MET 4 3.298 -14.471 14.914 31 2HB MET 4 2HB MET 4 1.724 -13.681 14.840 32 1HG MET 4 1HG MET 4 0.831 -15.529 16.319 33 2HG MET 4 2HG MET 4 2.495 -16.075 16.526 34 1HE MET 4 1HE MET 4 4.041 -14.509 18.935 35 2HE MET 4 2HE MET 4 4.443 -13.409 17.618 36 3HE MET 4 3HE MET 4 4.192 -15.121 17.282 37 H SER 5 H SER 5 2.858 -13.390 13.009 38 HA SER 5 HA SER 5 1.589 -13.607 10.312 39 1HB SER 5 1HB SER 5 1.188 -11.058 10.653 40 2HB SER 5 2HB SER 5 0.109 -12.180 11.476 41 HG SER 5 HG SER 5 0.951 -10.526 12.856 42 H LYS 6 H LYS 6 2.932 -12.874 8.660 43 HA LYS 6 HA LYS 6 5.520 -11.592 9.481 44 1HB LYS 6 1HB LYS 6 4.844 -14.004 7.910 45 2HB LYS 6 2HB LYS 6 6.071 -12.970 7.176 46 1HG LYS 6 1HG LYS 6 6.272 -13.642 10.095 47 2HG LYS 6 2HG LYS 6 6.795 -14.825 8.897 48 1HD LYS 6 1HD LYS 6 7.943 -12.526 7.936 49 2HD LYS 6 2HD LYS 6 8.039 -12.270 9.678 50 1HE LYS 6 1HE LYS 6 8.897 -14.780 9.686 51 2HE LYS 6 2HE LYS 6 9.334 -14.398 8.007 52 1HZ LYS 6 1HZ LYS 6 11.018 -13.795 9.804 53 2HZ LYS 6 2HZ LYS 6 9.948 -12.548 10.233 54 3HZ LYS 6 3HZ LYS 6 10.627 -12.591 8.676 55 H MET 7 H MET 7 6.570 -10.549 7.423 56 HA MET 7 HA MET 7 4.937 -8.462 6.443 57 1HB MET 7 1HB MET 7 7.525 -9.765 5.650 58 2HB MET 7 2HB MET 7 6.843 -8.515 4.607 59 1HG MET 7 1HG MET 7 6.980 -6.867 6.284 60 2HG MET 7 2HG MET 7 7.116 -8.062 7.574 61 1HE MET 7 1HE MET 7 9.119 -7.911 4.052 62 2HE MET 7 2HE MET 7 10.268 -6.683 4.575 63 3HE MET 7 3HE MET 7 8.539 -6.338 4.618 64 HA PRO 8 HA PRO 8 2.602 -10.571 3.326 65 1HB PRO 8 1HB PRO 8 1.712 -8.399 1.928 66 2HB PRO 8 2HB PRO 8 1.061 -8.859 3.513 67 1HG PRO 8 1HG PRO 8 2.990 -6.716 2.809 68 2HG PRO 8 2HG PRO 8 1.731 -6.742 4.051 69 1HD PRO 8 1HD PRO 8 4.415 -7.115 4.535 70 2HD PRO 8 2HD PRO 8 3.106 -7.674 5.600 71 H GLN 9 H GLN 9 2.652 -10.920 0.958 72 HA GLN 9 HA GLN 9 5.324 -10.678 -0.164 73 1HB GLN 9 1HB GLN 9 2.775 -12.003 -0.675 74 2HB GLN 9 2HB GLN 9 3.515 -11.423 -2.167 75 1HG GLN 9 1HG GLN 9 4.563 -13.478 -1.983 76 2HG GLN 9 2HG GLN 9 5.703 -12.476 -1.083 77 1HE2 GLN 9 1HE2 GLN 9 5.629 -12.597 1.300 78 2HE2 GLN 9 2HE2 GLN 9 4.884 -13.909 2.077 79 H PHE 10 H PHE 10 2.471 -8.705 -0.218 80 HA PHE 10 HA PHE 10 2.906 -7.385 -2.754 81 1HB PHE 10 1HB PHE 10 0.782 -7.527 -1.400 82 2HB PHE 10 2HB PHE 10 1.503 -6.399 -0.250 83 HD1 PHE 10 HD1 PHE 10 1.762 -4.046 -0.768 84 HD2 PHE 10 HD2 PHE 10 0.288 -6.812 -3.737 85 HE1 PHE 10 HE1 PHE 10 1.075 -2.132 -2.209 86 HE2 PHE 10 HE2 PHE 10 -0.397 -4.897 -5.179 87 HZ PHE 10 HZ PHE 10 -0.003 -2.558 -4.414 88 H LEU 11 H LEU 11 3.960 -6.749 0.582 89 HA LEU 11 HA LEU 11 5.262 -4.214 -0.207 90 1HB LEU 11 1HB LEU 11 5.115 -5.783 2.388 91 2HB LEU 11 2HB LEU 11 5.786 -4.161 2.228 92 HG LEU 11 HG LEU 11 2.934 -4.946 1.556 93 1HD1 LEU 11 1HD1 LEU 11 4.065 -3.336 3.865 94 2HD1 LEU 11 2HD1 LEU 11 3.396 -4.963 3.983 95 3HD1 LEU 11 3HD1 LEU 11 2.352 -3.610 3.545 96 1HD2 LEU 11 1HD2 LEU 11 4.531 -2.402 1.341 97 2HD2 LEU 11 2HD2 LEU 11 2.793 -2.326 1.629 98 3HD2 LEU 11 3HD2 LEU 11 3.412 -3.111 0.176 99 H ASN 12 H ASN 12 6.133 -7.155 -1.008 100 HA ASN 12 HA ASN 12 8.745 -7.527 0.186 101 1HB ASN 12 1HB ASN 12 6.991 -9.014 -1.272 102 2HB ASN 12 2HB ASN 12 8.155 -8.582 -2.526 103 1HD2 ASN 12 1HD2 ASN 12 8.059 -9.911 0.826 104 2HD2 ASN 12 2HD2 ASN 12 9.426 -10.901 0.630 105 H ARG 13 H ARG 13 7.530 -5.793 -2.645 106 HA ARG 13 HA ARG 13 10.187 -5.305 -3.769 107 1HB ARG 13 1HB ARG 13 7.542 -5.243 -4.618 108 2HB ARG 13 2HB ARG 13 7.991 -3.536 -4.568 109 1HG ARG 13 1HG ARG 13 10.200 -4.476 -5.749 110 2HG ARG 13 2HG ARG 13 9.077 -5.733 -6.273 111 1HD ARG 13 1HD ARG 13 7.566 -3.530 -6.776 112 2HD ARG 13 2HD ARG 13 9.191 -2.869 -7.049 113 HE ARG 13 HE ARG 13 7.969 -5.113 -8.553 114 1HH1 ARG 13 1HH1 ARG 13 9.860 -2.419 -8.842 115 2HH1 ARG 13 2HH1 ARG 13 11.098 -3.144 -9.812 116 1HH2 ARG 13 1HH2 ARG 13 9.926 -6.377 -9.364 117 2HH2 ARG 13 2HH2 ARG 13 11.135 -5.383 -10.107 118 H TRP 14 H TRP 14 8.352 -3.930 -1.231 119 HA TRP 14 HA TRP 14 9.297 -1.186 -1.448 120 1HB TRP 14 1HB TRP 14 7.953 -2.902 0.643 121 2HB TRP 14 2HB TRP 14 8.347 -1.212 0.921 122 HD1 TRP 14 HD1 TRP 14 7.172 -2.413 -2.525 123 HE1 TRP 14 HE1 TRP 14 4.872 -1.365 -3.016 124 HE3 TRP 14 HE3 TRP 14 6.251 -0.266 1.988 125 HZ2 TRP 14 HZ2 TRP 14 2.871 0.205 -1.650 126 HZ3 TRP 14 HZ3 TRP 14 4.135 1.001 2.398 127 HH2 TRP 14 HH2 TRP 14 2.451 1.237 0.581 128 HA PRO 15 HA PRO 15 13.273 -2.002 0.332 129 1HB PRO 15 1HB PRO 15 13.867 0.512 1.241 130 2HB PRO 15 2HB PRO 15 13.966 0.045 -0.468 131 1HG PRO 15 1HG PRO 15 11.817 1.526 0.968 132 2HG PRO 15 2HG PRO 15 12.485 1.799 -0.649 133 1HD PRO 15 1HD PRO 15 10.115 0.543 -0.225 134 2HD PRO 15 2HD PRO 15 11.168 0.177 -1.610 135 H ARG 16 H ARG 16 14.403 -1.578 2.538 136 HA ARG 16 HA ARG 16 12.556 -2.329 4.650 137 1HB ARG 16 1HB ARG 16 14.502 -3.466 4.953 138 2HB ARG 16 2HB ARG 16 15.413 -2.330 3.978 139 1HG ARG 16 1HG ARG 16 15.965 -1.001 5.779 140 2HG ARG 16 2HG ARG 16 14.562 -1.496 6.724 141 1HD ARG 16 1HD ARG 16 16.071 -2.822 7.830 142 2HD ARG 16 2HD ARG 16 15.889 -3.887 6.423 143 HE ARG 16 HE ARG 16 17.883 -2.830 5.440 144 1HH1 ARG 16 1HH1 ARG 16 17.092 -0.758 7.898 145 2HH1 ARG 16 2HH1 ARG 16 18.664 -0.700 8.623 146 1HH2 ARG 16 1HH2 ARG 16 19.936 -3.296 6.708 147 2HH2 ARG 16 2HH2 ARG 16 20.274 -2.137 7.950 148 H GLU 17 H GLU 17 14.092 0.599 3.538 149 HA GLU 17 HA GLU 17 13.950 2.073 6.017 150 1HB GLU 17 1HB GLU 17 14.441 3.974 4.548 151 2HB GLU 17 2HB GLU 17 15.416 2.588 4.063 152 1HG GLU 17 1HG GLU 17 13.531 2.057 2.395 153 2HG GLU 17 2HG GLU 17 12.942 3.685 2.730 154 H VAL 18 H VAL 18 11.741 1.644 3.264 155 HA VAL 18 HA VAL 18 9.816 3.601 4.292 156 HB VAL 18 HB VAL 18 9.732 1.500 2.097 157 1HG1 VAL 18 1HG1 VAL 18 7.906 3.708 1.749 158 2HG1 VAL 18 2HG1 VAL 18 7.593 2.921 3.296 159 3HG1 VAL 18 3HG1 VAL 18 7.551 1.982 1.805 160 1HG2 VAL 18 1HG2 VAL 18 10.189 4.503 2.084 161 2HG2 VAL 18 2HG2 VAL 18 9.999 3.516 0.636 162 3HG2 VAL 18 3HG2 VAL 18 11.380 3.264 1.700 163 H LEU 19 H LEU 19 10.016 0.035 4.109 164 HA LEU 19 HA LEU 19 7.462 -0.487 5.296 165 1HB LEU 19 1HB LEU 19 10.066 -2.022 5.109 166 2HB LEU 19 2HB LEU 19 8.576 -2.734 5.732 167 HG LEU 19 HG LEU 19 8.722 -1.393 3.026 168 1HD1 LEU 19 1HD1 LEU 19 8.579 -4.069 2.493 169 2HD1 LEU 19 2HD1 LEU 19 9.649 -4.062 3.895 170 3HD1 LEU 19 3HD1 LEU 19 10.075 -3.135 2.457 171 1HD2 LEU 19 1HD2 LEU 19 6.589 -2.250 2.696 172 2HD2 LEU 19 2HD2 LEU 19 6.542 -1.972 4.437 173 3HD2 LEU 19 3HD2 LEU 19 6.844 -3.593 3.811 174 H ASP 20 H ASP 20 10.646 0.171 6.672 175 HA ASP 20 HA ASP 20 10.064 -0.644 9.371 176 1HB ASP 20 1HB ASP 20 12.316 -0.232 8.360 177 2HB ASP 20 2HB ASP 20 11.946 1.492 8.312 178 H LEU 21 H LEU 21 9.271 2.189 7.495 179 HA LEU 21 HA LEU 21 8.560 3.823 9.843 180 1HB LEU 21 1HB LEU 21 9.551 4.876 7.908 181 2HB LEU 21 2HB LEU 21 8.378 4.123 6.832 182 HG LEU 21 HG LEU 21 6.574 5.442 7.792 183 1HD1 LEU 21 1HD1 LEU 21 7.168 5.625 10.092 184 2HD1 LEU 21 2HD1 LEU 21 7.243 7.270 9.460 185 3HD1 LEU 21 3HD1 LEU 21 8.729 6.351 9.706 186 1HD2 LEU 21 1HD2 LEU 21 9.064 6.992 7.063 187 2HD2 LEU 21 2HD2 LEU 21 7.489 7.757 7.260 188 3HD2 LEU 21 3HD2 LEU 21 7.729 6.539 6.008 189 H VAL 22 H VAL 22 6.913 2.062 7.224 190 HA VAL 22 HA VAL 22 4.237 2.825 7.730 191 HB VAL 22 HB VAL 22 5.325 0.112 6.906 192 1HG1 VAL 22 1HG1 VAL 22 2.839 0.392 7.430 193 2HG1 VAL 22 2HG1 VAL 22 3.226 -0.213 5.818 194 3HG1 VAL 22 3HG1 VAL 22 2.768 1.476 6.040 195 1HG2 VAL 22 1HG2 VAL 22 6.231 1.198 5.143 196 2HG2 VAL 22 2HG2 VAL 22 5.497 2.725 5.637 197 3HG2 VAL 22 3HG2 VAL 22 4.590 1.593 4.635 198 H ARG 23 H ARG 23 6.225 0.280 9.186 199 HA ARG 23 HA ARG 23 4.284 -1.004 10.799 200 1HB ARG 23 1HB ARG 23 6.488 -1.900 10.417 201 2HB ARG 23 2HB ARG 23 7.253 -0.458 11.076 202 1HG ARG 23 1HG ARG 23 5.600 -1.353 13.146 203 2HG ARG 23 2HG ARG 23 6.282 -2.827 12.462 204 1HD ARG 23 1HD ARG 23 7.992 -0.418 13.143 205 2HD ARG 23 2HD ARG 23 7.708 -1.750 14.282 206 HE ARG 23 HE ARG 23 8.847 -2.209 11.547 207 1HH1 ARG 23 1HH1 ARG 23 7.907 -4.045 14.063 208 2HH1 ARG 23 2HH1 ARG 23 9.460 -4.700 14.460 209 1HH2 ARG 23 1HH2 ARG 23 11.203 -2.495 12.428 210 2HH2 ARG 23 2HH2 ARG 23 11.325 -3.821 13.537 211 H LYS 24 H LYS 24 6.632 1.495 11.873 212 HA LYS 24 HA LYS 24 5.536 1.949 14.436 213 1HB LYS 24 1HB LYS 24 7.455 3.097 12.622 214 2HB LYS 24 2HB LYS 24 6.544 4.394 13.399 215 1HG LYS 24 1HG LYS 24 7.000 2.709 15.514 216 2HG LYS 24 2HG LYS 24 8.474 2.492 14.567 217 1HD LYS 24 1HD LYS 24 8.420 5.120 14.418 218 2HD LYS 24 2HD LYS 24 7.400 4.985 15.849 219 1HE LYS 24 1HE LYS 24 9.885 3.344 15.863 220 2HE LYS 24 2HE LYS 24 10.090 5.100 16.025 221 1HZ LYS 24 1HZ LYS 24 8.299 5.047 17.717 222 2HZ LYS 24 2HZ LYS 24 9.692 4.197 18.191 223 3HZ LYS 24 3HZ LYS 24 8.321 3.352 17.651 224 H VAL 25 H VAL 25 4.471 3.169 11.300 225 HA VAL 25 HA VAL 25 2.783 5.285 12.331 226 HB VAL 25 HB VAL 25 2.709 3.712 9.733 227 1HG1 VAL 25 1HG1 VAL 25 1.611 5.723 8.831 228 2HG1 VAL 25 2HG1 VAL 25 1.664 6.476 10.426 229 3HG1 VAL 25 3HG1 VAL 25 0.668 5.046 10.158 230 1HG2 VAL 25 1HG2 VAL 25 3.884 6.401 9.744 231 2HG2 VAL 25 2HG2 VAL 25 4.505 4.910 9.037 232 3HG2 VAL 25 3HG2 VAL 25 4.776 5.255 10.745 233 H ALA 26 H ALA 26 2.203 1.879 11.455 234 HA ALA 26 HA ALA 26 -0.653 1.944 11.805 235 1HB ALA 26 1HB ALA 26 -0.381 -0.501 11.810 236 2HB ALA 26 2HB ALA 26 1.346 -0.322 12.123 237 3HB ALA 26 3HB ALA 26 0.666 0.215 10.585 238 H GLU 27 H GLU 27 2.061 1.196 13.986 239 HA GLU 27 HA GLU 27 0.410 0.473 16.251 240 1HB GLU 27 1HB GLU 27 2.862 -0.081 15.709 241 2HB GLU 27 2HB GLU 27 3.237 1.553 16.262 242 1HG GLU 27 1HG GLU 27 1.861 0.897 18.375 243 2HG GLU 27 2HG GLU 27 2.131 -0.760 17.836 244 H GLU 28 H GLU 28 1.456 3.493 14.856 245 HA GLU 28 HA GLU 28 1.241 5.125 17.242 246 1HB GLU 28 1HB GLU 28 1.656 5.390 14.338 247 2HB GLU 28 2HB GLU 28 0.813 6.761 15.061 248 1HG GLU 28 1HG GLU 28 2.991 5.950 16.770 249 2HG GLU 28 2HG GLU 28 3.589 6.227 15.134 250 H ASN 29 H ASN 29 -0.903 4.735 14.393 251 HA ASN 29 HA ASN 29 -3.093 6.203 15.587 252 1HB ASN 29 1HB ASN 29 -2.709 4.360 13.227 253 2HB ASN 29 2HB ASN 29 -4.298 5.018 13.616 254 1HD2 ASN 29 1HD2 ASN 29 -3.017 5.756 11.186 255 2HD2 ASN 29 2HD2 ASN 29 -2.573 7.392 11.276 256 H GLY 30 H GLY 30 -2.055 2.860 15.676 257 1HA GLY 30 1HA GLY 30 -2.815 1.311 17.362 258 2HA GLY 30 2HA GLY 30 -4.283 2.271 17.545 259 H ARG 31 H ARG 31 -2.604 0.286 15.083 260 HA ARG 31 HA ARG 31 -4.930 -1.353 14.594 261 1HB ARG 31 1HB ARG 31 -5.485 -0.399 12.364 262 2HB ARG 31 2HB ARG 31 -5.727 0.780 13.652 263 1HG ARG 31 1HG ARG 31 -4.077 2.135 12.883 264 2HG ARG 31 2HG ARG 31 -3.002 0.779 12.540 265 1HD ARG 31 1HD ARG 31 -3.446 1.214 10.344 266 2HD ARG 31 2HD ARG 31 -5.030 0.473 10.654 267 HE ARG 31 HE ARG 31 -4.507 3.342 10.417 268 1HH1 ARG 31 1HH1 ARG 31 -6.910 1.159 10.110 269 2HH1 ARG 31 2HH1 ARG 31 -8.120 2.031 10.990 270 1HH2 ARG 31 1HH2 ARG 31 -5.889 4.360 12.264 271 2HH2 ARG 31 2HH2 ARG 31 -7.541 3.844 12.210 272 H SER 32 H SER 32 -4.468 -2.035 11.918 273 HA SER 32 HA SER 32 -1.833 -3.373 12.126 274 1HB SER 32 1HB SER 32 -3.852 -4.667 11.606 275 2HB SER 32 2HB SER 32 -4.190 -3.622 10.229 276 HG SER 32 HG SER 32 -3.091 -5.616 9.708 277 H VAL 33 H VAL 33 -0.616 -3.534 9.938 278 HA VAL 33 HA VAL 33 -0.125 -0.816 8.966 279 HB VAL 33 HB VAL 33 1.049 -3.567 8.478 280 1HG1 VAL 33 1HG1 VAL 33 1.345 -1.150 6.938 281 2HG1 VAL 33 2HG1 VAL 33 2.091 -2.725 6.676 282 3HG1 VAL 33 3HG1 VAL 33 2.872 -1.542 7.726 283 1HG2 VAL 33 1HG2 VAL 33 2.575 -3.027 10.114 284 2HG2 VAL 33 2HG2 VAL 33 1.224 -2.048 10.687 285 3HG2 VAL 33 3HG2 VAL 33 2.518 -1.302 9.746 286 H ASN 34 H ASN 34 -1.835 -3.677 7.903 287 HA ASN 34 HA ASN 34 -1.876 -3.180 5.071 288 1HB ASN 34 1HB ASN 34 -3.177 -4.847 7.090 289 2HB ASN 34 2HB ASN 34 -4.301 -4.373 5.816 290 1HD2 ASN 34 1HD2 ASN 34 -4.166 -5.519 3.869 291 2HD2 ASN 34 2HD2 ASN 34 -2.888 -6.554 3.451 292 H SER 35 H SER 35 -3.646 -1.826 7.781 293 HA SER 35 HA SER 35 -5.578 -0.449 6.014 294 1HB SER 35 1HB SER 35 -5.142 -0.894 8.945 295 2HB SER 35 2HB SER 35 -6.114 0.492 8.455 296 HG SER 35 HG SER 35 -7.665 -0.848 8.037 297 H GLU 36 H GLU 36 -2.678 0.257 7.943 298 HA GLU 36 HA GLU 36 -2.819 3.100 7.912 299 1HB GLU 36 1HB GLU 36 -1.288 1.320 9.097 300 2HB GLU 36 2HB GLU 36 -0.281 1.501 7.662 301 1HG GLU 36 1HG GLU 36 0.440 3.035 9.429 302 2HG GLU 36 2HG GLU 36 -0.177 3.924 8.040 303 H ILE 37 H ILE 37 -1.569 0.738 5.581 304 HA ILE 37 HA ILE 37 -0.528 2.741 3.726 305 HB ILE 37 HB ILE 37 -1.132 -0.235 3.608 306 1HG1 ILE 37 1HG1 ILE 37 0.707 0.619 5.123 307 2HG1 ILE 37 2HG1 ILE 37 1.247 -0.510 3.882 308 1HG2 ILE 37 1HG2 ILE 37 -1.092 0.083 1.348 309 2HG2 ILE 37 2HG2 ILE 37 0.653 0.173 1.597 310 3HG2 ILE 37 3HG2 ILE 37 -0.299 1.653 1.482 311 1HD1 ILE 37 1HD1 ILE 37 1.399 2.513 3.647 312 2HD1 ILE 37 2HD1 ILE 37 2.023 1.342 2.484 313 3HD1 ILE 37 3HD1 ILE 37 2.749 1.469 4.085 314 H TYR 38 H TYR 38 -3.584 1.123 4.297 315 HA TYR 38 HA TYR 38 -4.757 1.643 1.696 316 1HB TYR 38 1HB TYR 38 -5.491 -0.158 3.161 317 2HB TYR 38 2HB TYR 38 -5.848 0.987 4.451 318 HD1 TYR 38 HD1 TYR 38 -8.114 1.327 4.765 319 HD2 TYR 38 HD2 TYR 38 -6.602 0.793 0.769 320 HE1 TYR 38 HE1 TYR 38 -10.410 1.661 3.857 321 HE2 TYR 38 HE2 TYR 38 -8.898 1.125 -0.152 322 HH TYR 38 HH TYR 38 -11.600 2.066 1.946 323 H GLN 39 H GLN 39 -4.451 3.428 4.711 324 HA GLN 39 HA GLN 39 -6.495 5.417 4.023 325 1HB GLN 39 1HB GLN 39 -4.360 5.138 6.157 326 2HB GLN 39 2HB GLN 39 -5.468 6.509 6.090 327 1HG GLN 39 1HG GLN 39 -6.366 3.615 6.200 328 2HG GLN 39 2HG GLN 39 -6.237 4.660 7.615 329 1HE2 GLN 39 1HE2 GLN 39 -8.350 3.684 5.118 330 2HE2 GLN 39 2HE2 GLN 39 -9.505 4.914 5.288 331 H ARG 40 H ARG 40 -2.926 5.383 4.284 332 HA ARG 40 HA ARG 40 -2.445 8.029 3.353 333 1HB ARG 40 1HB ARG 40 -0.883 5.433 3.140 334 2HB ARG 40 2HB ARG 40 -0.193 7.019 2.796 335 1HG ARG 40 1HG ARG 40 -1.179 7.604 5.186 336 2HG ARG 40 2HG ARG 40 -1.063 5.859 5.416 337 1HD ARG 40 1HD ARG 40 1.362 6.085 4.538 338 2HD ARG 40 2HD ARG 40 1.164 7.821 4.850 339 HE ARG 40 HE ARG 40 1.219 5.702 6.899 340 1HH1 ARG 40 1HH1 ARG 40 2.473 8.561 6.792 341 2HH1 ARG 40 2HH1 ARG 40 1.583 9.321 8.069 342 1HH2 ARG 40 1HH2 ARG 40 -0.830 6.835 8.222 343 2HH2 ARG 40 2HH2 ARG 40 -0.288 8.344 8.877 344 H VAL 41 H VAL 41 -3.208 5.046 1.688 345 HA VAL 41 HA VAL 41 -2.562 6.057 -0.993 346 HB VAL 41 HB VAL 41 -3.848 3.597 0.218 347 1HG1 VAL 41 1HG1 VAL 41 -4.768 4.191 -2.115 348 2HG1 VAL 41 2HG1 VAL 41 -4.056 2.588 -1.919 349 3HG1 VAL 41 3HG1 VAL 41 -3.136 3.873 -2.705 350 1HG2 VAL 41 1HG2 VAL 41 -1.318 3.814 -1.410 351 2HG2 VAL 41 2HG2 VAL 41 -1.789 2.544 -0.281 352 3HG2 VAL 41 3HG2 VAL 41 -1.328 4.133 0.324 353 H MET 42 H MET 42 -5.332 5.852 1.140 354 HA MET 42 HA MET 42 -7.358 6.344 -0.893 355 1HB MET 42 1HB MET 42 -7.119 5.732 1.908 356 2HB MET 42 2HB MET 42 -8.202 7.106 1.716 357 1HG MET 42 1HG MET 42 -9.481 5.828 0.009 358 2HG MET 42 2HG MET 42 -8.430 4.441 0.293 359 1HE MET 42 1HE MET 42 -11.780 5.962 1.204 360 2HE MET 42 2HE MET 42 -10.600 7.101 1.834 361 3HE MET 42 3HE MET 42 -11.660 6.243 2.946 362 H GLU 43 H GLU 43 -5.234 8.324 1.060 363 HA GLU 43 HA GLU 43 -6.780 10.786 0.827 364 1HB GLU 43 1HB GLU 43 -4.211 9.811 1.921 365 2HB GLU 43 2HB GLU 43 -4.200 11.500 1.414 366 1HG GLU 43 1HG GLU 43 -6.564 11.444 2.723 367 2HG GLU 43 2HG GLU 43 -5.700 10.197 3.624 368 H SER 44 H SER 44 -4.136 9.257 -0.970 369 HA SER 44 HA SER 44 -3.312 11.450 -2.570 370 1HB SER 44 1HB SER 44 -2.519 9.643 -4.074 371 2HB SER 44 2HB SER 44 -2.182 9.264 -2.387 372 HG SER 44 HG SER 44 -3.202 7.483 -2.905 373 H PHE 45 H PHE 45 -5.951 9.102 -3.063 374 HA PHE 45 HA PHE 45 -6.745 10.172 -5.643 375 1HB PHE 45 1HB PHE 45 -8.077 8.403 -3.571 376 2HB PHE 45 2HB PHE 45 -8.722 8.677 -5.189 377 HD1 PHE 45 HD1 PHE 45 -7.262 6.191 -3.504 378 HD2 PHE 45 HD2 PHE 45 -6.351 8.700 -6.896 379 HE1 PHE 45 HE1 PHE 45 -5.763 4.421 -4.410 380 HE2 PHE 45 HE2 PHE 45 -4.851 6.929 -7.802 381 HZ PHE 45 HZ PHE 45 -4.559 4.789 -6.561 382 H LYS 46 H LYS 46 -7.770 10.697 -2.282 383 HA LYS 46 HA LYS 46 -10.160 12.153 -2.737 384 1HB LYS 46 1HB LYS 46 -8.738 11.300 -0.604 385 2HB LYS 46 2HB LYS 46 -8.306 13.010 -0.566 386 1HG LYS 46 1HG LYS 46 -10.680 13.626 -0.568 387 2HG LYS 46 2HG LYS 46 -11.130 11.922 -0.638 388 1HD LYS 46 1HD LYS 46 -9.287 12.743 1.550 389 2HD LYS 46 2HD LYS 46 -10.970 13.250 1.688 390 1HE LYS 46 1HE LYS 46 -11.060 10.551 0.855 391 2HE LYS 46 2HE LYS 46 -9.845 10.624 2.141 392 1HZ LYS 46 1HZ LYS 46 -12.640 11.601 2.230 393 2HZ LYS 46 2HZ LYS 46 -11.470 12.080 3.366 394 3HZ LYS 46 3HZ LYS 46 -11.910 10.444 3.234 395 H LYS 47 H LYS 47 -6.795 13.356 -2.460 396 HA LYS 47 HA LYS 47 -7.380 16.129 -2.793 397 1HB LYS 47 1HB LYS 47 -5.034 14.297 -3.164 398 2HB LYS 47 2HB LYS 47 -4.899 15.965 -3.723 399 1HG LYS 47 1HG LYS 47 -6.078 16.177 -1.198 400 2HG LYS 47 2HG LYS 47 -4.849 14.926 -1.003 401 1HD LYS 47 1HD LYS 47 -3.190 16.456 -2.085 402 2HD LYS 47 2HD LYS 47 -4.424 17.716 -2.112 403 1HE LYS 47 1HE LYS 47 -4.422 16.723 0.533 404 2HE LYS 47 2HE LYS 47 -2.717 16.930 0.083 405 1HZ LYS 47 1HZ LYS 47 -4.867 18.944 -0.323 406 2HZ LYS 47 2HZ LYS 47 -3.234 19.133 -0.757 407 3HZ LYS 47 3HZ LYS 47 -3.672 19.016 0.879 408 H GLU 48 H GLU 48 -6.890 13.529 -5.153 409 HA GLU 48 HA GLU 48 -6.875 15.360 -7.446 410 1HB GLU 48 1HB GLU 48 -6.470 12.517 -6.824 411 2HB GLU 48 2HB GLU 48 -7.291 12.780 -8.362 412 1HG GLU 48 1HG GLU 48 -5.424 14.595 -8.729 413 2HG GLU 48 2HG GLU 48 -4.553 13.670 -7.506 414 H GLY 49 H GLY 49 -9.290 13.844 -5.509 415 1HA GLY 49 1HA GLY 49 -11.630 14.031 -5.682 416 2HA GLY 49 2HA GLY 49 -11.410 14.936 -7.180 417 H ARG 50 H ARG 50 -9.834 11.854 -6.845 418 HA ARG 50 HA ARG 50 -11.150 10.790 -9.188 419 1HB ARG 50 1HB ARG 50 -9.487 9.460 -7.022 420 2HB ARG 50 2HB ARG 50 -9.793 8.807 -8.631 421 1HG ARG 50 1HG ARG 50 -8.775 11.540 -8.738 422 2HG ARG 50 2HG ARG 50 -7.660 10.448 -7.913 423 1HD ARG 50 1HD ARG 50 -7.010 9.648 -9.929 424 2HD ARG 50 2HD ARG 50 -8.665 9.067 -10.206 425 HE ARG 50 HE ARG 50 -9.109 11.545 -10.901 426 1HH1 ARG 50 1HH1 ARG 50 -6.899 9.351 -12.130 427 2HH1 ARG 50 2HH1 ARG 50 -6.035 10.493 -13.104 428 1HH2 ARG 50 1HH2 ARG 50 -7.661 13.253 -11.781 429 2HH2 ARG 50 2HH2 ARG 50 -6.466 12.702 -12.907 430 H ILE 51 H ILE 51 -11.600 10.387 -5.697 431 HA ILE 51 HA ILE 51 -13.590 8.236 -6.040 432 HB ILE 51 HB ILE 51 -12.880 9.872 -3.585 433 1HG1 ILE 51 1HG1 ILE 51 -11.610 7.264 -4.476 434 2HG1 ILE 51 2HG1 ILE 51 -10.860 8.838 -4.754 435 1HG2 ILE 51 1HG2 ILE 51 -14.670 8.593 -2.918 436 2HG2 ILE 51 2HG2 ILE 51 -13.380 7.408 -2.674 437 3HG2 ILE 51 3HG2 ILE 51 -14.370 7.351 -4.134 438 1HD1 ILE 51 1HD1 ILE 51 -10.340 7.396 -2.553 439 2HD1 ILE 51 2HD1 ILE 51 -11.780 8.248 -1.979 440 3HD1 ILE 51 3HD1 ILE 51 -10.370 9.159 -2.532 441 H GLY 52 H GLY 52 -15.770 8.631 -4.809 442 1HA GLY 52 1HA GLY 52 -16.790 11.336 -5.577 443 2HA GLY 52 2HA GLY 52 -17.770 9.867 -5.667 444 H ALA 53 H ALA 53 -16.920 8.751 -3.149 445 HA ALA 53 HA ALA 53 -18.020 10.763 -1.219 446 1HB ALA 53 1HB ALA 53 -18.930 8.075 -2.055 447 2HB ALA 53 2HB ALA 53 -19.860 9.410 -1.368 448 3HB ALA 53 3HB ALA 53 -18.930 8.344 -0.313 449 1H MET 1 1H MET 1 -5.790 -24.093 -17.108 450 2H MET 1 2H MET 1 -4.942 -23.809 -18.554 451 3H MET 1 3H MET 1 -6.588 -24.231 -18.599 452 HA MET 1 HA MET 1 -6.637 -21.939 -18.950 453 1HB MET 1 1HB MET 1 -7.559 -23.180 -16.587 454 2HB MET 1 2HB MET 1 -6.931 -21.610 -16.086 455 1HG MET 1 1HG MET 1 -8.292 -20.513 -17.838 456 2HG MET 1 2HG MET 1 -8.940 -22.086 -18.307 457 1HE MET 1 1HE MET 1 -12.120 -21.767 -16.678 458 2HE MET 1 2HE MET 1 -11.080 -22.248 -18.018 459 3HE MET 1 3HE MET 1 -11.420 -20.542 -17.752 460 H LYS 2 H LYS 2 -5.902 -19.742 -18.191 461 HA LYS 2 HA LYS 2 -3.134 -19.848 -17.033 462 1HB LYS 2 1HB LYS 2 -3.959 -19.172 -19.608 463 2HB LYS 2 2HB LYS 2 -3.739 -17.610 -18.819 464 1HG LYS 2 1HG LYS 2 -1.471 -18.053 -18.311 465 2HG LYS 2 2HG LYS 2 -1.658 -19.784 -18.597 466 1HD LYS 2 1HD LYS 2 -1.647 -19.543 -20.914 467 2HD LYS 2 2HD LYS 2 -2.192 -17.866 -20.843 468 1HE LYS 2 1HE LYS 2 0.276 -17.926 -19.457 469 2HE LYS 2 2HE LYS 2 0.519 -18.864 -20.944 470 1HZ LYS 2 1HZ LYS 2 -0.233 -17.116 -22.268 471 2HZ LYS 2 2HZ LYS 2 0.735 -16.336 -21.110 472 3HZ LYS 2 3HZ LYS 2 -0.957 -16.304 -20.966 473 H GLY 3 H GLY 3 -3.028 -18.717 -15.139 474 1HA GLY 3 1HA GLY 3 -5.119 -16.671 -14.588 475 2HA GLY 3 2HA GLY 3 -4.112 -17.453 -13.368 476 H MET 4 H MET 4 -1.699 -17.060 -15.144 477 HA MET 4 HA MET 4 0.040 -15.478 -15.307 478 1HB MET 4 1HB MET 4 -2.511 -14.039 -15.960 479 2HB MET 4 2HB MET 4 -1.012 -13.114 -15.870 480 1HG MET 4 1HG MET 4 0.015 -14.797 -17.451 481 2HG MET 4 2HG MET 4 -1.595 -15.489 -17.659 482 1HE MET 4 1HE MET 4 -3.328 -13.959 -19.968 483 2HE MET 4 2HE MET 4 -3.803 -12.964 -18.593 484 3HE MET 4 3HE MET 4 -3.390 -14.659 -18.345 485 H SER 5 H SER 5 -2.135 -13.018 -14.009 486 HA SER 5 HA SER 5 -0.797 -13.240 -11.346 487 1HB SER 5 1HB SER 5 -0.628 -10.653 -11.578 488 2HB SER 5 2HB SER 5 0.527 -11.638 -12.472 489 HG SER 5 HG SER 5 -0.494 -9.998 -13.752 490 H LYS 6 H LYS 6 -2.172 -12.711 -9.640 491 HA LYS 6 HA LYS 6 -4.878 -11.625 -10.359 492 1HB LYS 6 1HB LYS 6 -3.956 -14.035 -8.917 493 2HB LYS 6 2HB LYS 6 -5.257 -13.154 -8.114 494 1HG LYS 6 1HG LYS 6 -5.452 -13.707 -11.061 495 2HG LYS 6 2HG LYS 6 -5.843 -14.988 -9.910 496 1HD LYS 6 1HD LYS 6 -7.178 -12.852 -8.825 497 2HD LYS 6 2HD LYS 6 -7.329 -12.523 -10.551 498 1HE LYS 6 1HE LYS 6 -7.954 -15.099 -10.671 499 2HE LYS 6 2HE LYS 6 -8.393 -14.839 -8.971 500 1HZ LYS 6 1HZ LYS 6 -10.160 -14.311 -10.704 501 2HZ LYS 6 2HZ LYS 6 -9.216 -12.953 -11.096 502 3HZ LYS 6 3HZ LYS 6 -9.855 -13.125 -9.530 503 H MET 7 H MET 7 -5.977 -10.777 -8.239 504 HA MET 7 HA MET 7 -4.524 -8.596 -7.184 505 1HB MET 7 1HB MET 7 -6.965 -10.167 -6.419 506 2HB MET 7 2HB MET 7 -6.383 -8.910 -5.328 507 1HG MET 7 1HG MET 7 -6.703 -7.206 -6.920 508 2HG MET 7 2HG MET 7 -6.750 -8.347 -8.265 509 1HE MET 7 1HE MET 7 -8.693 -8.549 -4.711 510 2HE MET 7 2HE MET 7 -9.959 -7.410 -5.158 511 3HE MET 7 3HE MET 7 -8.272 -6.905 -5.210 512 HA PRO 8 HA PRO 8 -1.943 -10.623 -4.208 513 1HB PRO 8 1HB PRO 8 -1.227 -8.447 -2.720 514 2HB PRO 8 2HB PRO 8 -0.566 -8.771 -4.335 515 1HG PRO 8 1HG PRO 8 -2.671 -6.852 -3.503 516 2HG PRO 8 2HG PRO 8 -1.433 -6.700 -4.758 517 1HD PRO 8 1HD PRO 8 -4.078 -7.295 -5.236 518 2HD PRO 8 2HD PRO 8 -2.738 -7.689 -6.335 519 H GLN 9 H GLN 9 -1.926 -11.101 -1.871 520 HA GLN 9 HA GLN 9 -4.583 -11.152 -0.694 521 1HB GLN 9 1HB GLN 9 -1.915 -12.257 -0.288 522 2HB GLN 9 2HB GLN 9 -2.670 -11.814 1.243 523 1HG GLN 9 1HG GLN 9 -3.531 -13.946 0.982 524 2HG GLN 9 2HG GLN 9 -4.777 -13.015 0.148 525 1HE2 GLN 9 1HE2 GLN 9 -4.740 -13.021 -2.238 526 2HE2 GLN 9 2HE2 GLN 9 -3.899 -14.226 -3.087 527 H PHE 10 H PHE 10 -1.922 -8.926 -0.587 528 HA PHE 10 HA PHE 10 -2.429 -7.773 2.015 529 1HB PHE 10 1HB PHE 10 -0.327 -7.645 0.626 530 2HB PHE 10 2HB PHE 10 -1.175 -6.542 -0.457 531 HD1 PHE 10 HD1 PHE 10 -1.600 -4.244 0.152 532 HD2 PHE 10 HD2 PHE 10 0.089 -7.001 3.009 533 HE1 PHE 10 HE1 PHE 10 -1.067 -2.342 1.672 534 HE2 PHE 10 HE2 PHE 10 0.626 -5.100 4.528 535 HZ PHE 10 HZ PHE 10 0.047 -2.770 3.861 536 H LEU 11 H LEU 11 -3.596 -7.073 -1.269 537 HA LEU 11 HA LEU 11 -5.110 -4.714 -0.335 538 1HB LEU 11 1HB LEU 11 -4.875 -6.137 -3.008 539 2HB LEU 11 2HB LEU 11 -5.683 -4.588 -2.756 540 HG LEU 11 HG LEU 11 -2.761 -5.147 -2.163 541 1HD1 LEU 11 1HD1 LEU 11 -4.071 -3.546 -4.382 542 2HD1 LEU 11 2HD1 LEU 11 -3.257 -5.097 -4.583 543 3HD1 LEU 11 3HD1 LEU 11 -2.336 -3.673 -4.096 544 1HD2 LEU 11 1HD2 LEU 11 -4.573 -2.771 -1.806 545 2HD2 LEU 11 2HD2 LEU 11 -2.854 -2.524 -2.116 546 3HD2 LEU 11 3HD2 LEU 11 -3.373 -3.428 -0.692 547 H ASN 12 H ASN 12 -5.693 -7.758 0.332 548 HA ASN 12 HA ASN 12 -8.283 -8.309 -0.838 549 1HB ASN 12 1HB ASN 12 -6.377 -9.697 0.520 550 2HB ASN 12 2HB ASN 12 -7.552 -9.434 1.810 551 1HD2 ASN 12 1HD2 ASN 12 -7.394 -10.592 -1.603 552 2HD2 ASN 12 2HD2 ASN 12 -8.664 -11.705 -1.437 553 H ARG 13 H ARG 13 -7.180 -6.607 2.056 554 HA ARG 13 HA ARG 13 -9.847 -6.415 3.240 555 1HB ARG 13 1HB ARG 13 -7.202 -6.142 4.049 556 2HB ARG 13 2HB ARG 13 -7.812 -4.487 4.088 557 1HG ARG 13 1HG ARG 13 -9.895 -5.688 5.260 558 2HG ARG 13 2HG ARG 13 -8.648 -6.855 5.702 559 1HD ARG 13 1HD ARG 13 -7.338 -4.550 6.289 560 2HD ARG 13 2HD ARG 13 -9.010 -4.053 6.618 561 HE ARG 13 HE ARG 13 -7.560 -6.242 7.996 562 1HH1 ARG 13 1HH1 ARG 13 -9.680 -3.750 8.442 563 2HH1 ARG 13 2HH1 ARG 13 -10.830 -4.631 9.390 564 1HH2 ARG 13 1HH2 ARG 13 -9.380 -7.717 8.770 565 2HH2 ARG 13 2HH2 ARG 13 -10.660 -6.875 9.577 566 H TRP 14 H TRP 14 -8.190 -4.763 0.744 567 HA TRP 14 HA TRP 14 -9.374 -2.129 1.100 568 1HB TRP 14 1HB TRP 14 -7.924 -3.621 -1.089 569 2HB TRP 14 2HB TRP 14 -8.465 -1.961 -1.278 570 HD1 TRP 14 HD1 TRP 14 -7.118 -3.241 2.079 571 HE1 TRP 14 HE1 TRP 14 -4.914 -2.016 2.595 572 HE3 TRP 14 HE3 TRP 14 -6.497 -0.748 -2.308 573 HZ2 TRP 14 HZ2 TRP 14 -3.097 -0.191 1.302 574 HZ3 TRP 14 HZ3 TRP 14 -4.513 0.734 -2.671 575 HH2 TRP 14 HH2 TRP 14 -2.820 1.012 -0.867 576 HA PRO 15 HA PRO 15 -13.290 -3.231 -0.655 577 1HB PRO 15 1HB PRO 15 -14.130 -0.742 -1.432 578 2HB PRO 15 2HB PRO 15 -14.150 -1.298 0.253 579 1HG PRO 15 1HG PRO 15 -12.180 0.446 -1.139 580 2HG PRO 15 2HG PRO 15 -12.840 0.575 0.500 581 1HD PRO 15 1HD PRO 15 -10.370 -0.428 -0.022 582 2HD PRO 15 2HD PRO 15 -11.360 -0.957 1.360 583 H ARG 16 H ARG 16 -14.500 -2.805 -2.821 584 HA ARG 16 HA ARG 16 -12.630 -3.286 -4.994 585 1HB ARG 16 1HB ARG 16 -14.470 -4.580 -5.325 586 2HB ARG 16 2HB ARG 16 -15.460 -3.581 -4.279 587 1HG ARG 16 1HG ARG 16 -16.170 -2.226 -6.002 588 2HG ARG 16 2HG ARG 16 -14.750 -2.539 -6.991 589 1HD ARG 16 1HD ARG 16 -16.150 -3.943 -8.142 590 2HD ARG 16 2HD ARG 16 -15.840 -5.056 -6.792 591 HE ARG 16 HE ARG 16 -17.910 -4.236 -5.729 592 1HH1 ARG 16 1HH1 ARG 16 -17.350 -1.987 -8.094 593 2HH1 ARG 16 2HH1 ARG 16 -18.940 -2.033 -8.789 594 1HH2 ARG 16 1HH2 ARG 16 -19.930 -4.824 -6.986 595 2HH2 ARG 16 2HH2 ARG 16 -20.400 -3.643 -8.163 596 H GLU 17 H GLU 17 -14.410 -0.563 -3.720 597 HA GLU 17 HA GLU 17 -14.440 1.030 -6.127 598 1HB GLU 17 1HB GLU 17 -15.080 2.808 -4.563 599 2HB GLU 17 2HB GLU 17 -15.910 1.319 -4.130 600 1HG GLU 17 1HG GLU 17 -13.950 0.888 -2.518 601 2HG GLU 17 2HG GLU 17 -13.520 2.576 -2.786 602 H VAL 18 H VAL 18 -12.160 0.684 -3.430 603 HA VAL 18 HA VAL 18 -10.430 2.852 -4.393 604 HB VAL 18 HB VAL 18 -10.120 0.666 -2.303 605 1HG1 VAL 18 1HG1 VAL 18 -8.495 3.015 -1.880 606 2HG1 VAL 18 2HG1 VAL 18 -8.144 2.331 -3.468 607 3HG1 VAL 18 3HG1 VAL 18 -7.986 1.332 -2.024 608 1HG2 VAL 18 1HG2 VAL 18 -10.840 3.612 -2.136 609 2HG2 VAL 18 2HG2 VAL 18 -10.530 2.576 -0.742 610 3HG2 VAL 18 3HG2 VAL 18 -11.910 2.252 -1.796 611 H LEU 19 H LEU 19 -10.300 -0.722 -4.367 612 HA LEU 19 HA LEU 19 -7.740 -0.956 -5.620 613 1HB LEU 19 1HB LEU 19 -10.190 -2.726 -5.474 614 2HB LEU 19 2HB LEU 19 -8.662 -3.269 -6.156 615 HG LEU 19 HG LEU 19 -8.870 -2.084 -3.383 616 1HD1 LEU 19 1HD1 LEU 19 -8.482 -4.756 -2.986 617 2HD1 LEU 19 2HD1 LEU 19 -9.566 -4.782 -4.376 618 3HD1 LEU 19 3HD1 LEU 19 -10.050 -3.968 -2.890 619 1HD2 LEU 19 1HD2 LEU 19 -6.664 -2.771 -3.126 620 2HD2 LEU 19 2HD2 LEU 19 -6.674 -2.387 -4.847 621 3HD2 LEU 19 3HD2 LEU 19 -6.819 -4.062 -4.316 622 H ASP 20 H ASP 20 -10.990 -0.535 -6.918 623 HA ASP 20 HA ASP 20 -10.400 -1.157 -9.660 624 1HB ASP 20 1HB ASP 20 -12.650 -0.997 -8.590 625 2HB ASP 20 2HB ASP 20 -12.440 0.750 -8.469 626 H LEU 21 H LEU 21 -9.831 1.651 -7.663 627 HA LEU 21 HA LEU 21 -9.313 3.450 -9.941 628 1HB LEU 21 1HB LEU 21 -10.350 4.329 -7.946 629 2HB LEU 21 2HB LEU 21 -9.106 3.621 -6.920 630 HG LEU 21 HG LEU 21 -7.425 5.122 -7.854 631 1HD1 LEU 21 1HD1 LEU 21 -8.089 5.392 -10.119 632 2HD1 LEU 21 2HD1 LEU 21 -8.298 6.985 -9.393 633 3HD1 LEU 21 3HD1 LEU 21 -9.699 5.948 -9.662 634 1HD2 LEU 21 1HD2 LEU 21 -10.000 6.440 -6.973 635 2HD2 LEU 21 2HD2 LEU 21 -8.487 7.326 -7.160 636 3HD2 LEU 21 3HD2 LEU 21 -8.608 6.025 -5.975 637 H VAL 22 H VAL 22 -7.466 1.725 -7.436 638 HA VAL 22 HA VAL 22 -4.878 2.745 -7.944 639 HB VAL 22 HB VAL 22 -5.701 -0.094 -7.239 640 1HG1 VAL 22 1HG1 VAL 22 -3.263 0.437 -7.778 641 2HG1 VAL 22 2HG1 VAL 22 -3.564 -0.269 -6.190 642 3HG1 VAL 22 3HG1 VAL 22 -3.268 1.464 -6.343 643 1HG2 VAL 22 1HG2 VAL 22 -6.680 0.822 -5.419 644 2HG2 VAL 22 2HG2 VAL 22 -6.084 2.429 -5.834 645 3HG2 VAL 22 3HG2 VAL 22 -5.071 1.325 -4.904 646 H ARG 23 H ARG 23 -6.660 0.105 -9.499 647 HA ARG 23 HA ARG 23 -4.637 -0.922 -11.195 648 1HB ARG 23 1HB ARG 23 -6.739 -2.034 -10.825 649 2HB ARG 23 2HB ARG 23 -7.648 -0.640 -11.400 650 1HG ARG 23 1HG ARG 23 -5.961 -1.282 -13.538 651 2HG ARG 23 2HG ARG 23 -6.493 -2.842 -12.914 652 1HD ARG 23 1HD ARG 23 -8.427 -0.570 -13.450 653 2HD ARG 23 2HD ARG 23 -8.047 -1.817 -14.656 654 HE ARG 23 HE ARG 23 -9.082 -2.505 -11.929 655 1HH1 ARG 23 1HH1 ARG 23 -8.028 -4.129 -14.541 656 2HH1 ARG 23 2HH1 ARG 23 -9.521 -4.907 -14.944 657 1HH2 ARG 23 1HH2 ARG 23 -11.420 -2.963 -12.789 658 2HH2 ARG 23 2HH2 ARG 23 -11.440 -4.246 -13.953 659 H LYS 24 H LYS 24 -7.219 1.403 -12.112 660 HA LYS 24 HA LYS 24 -6.215 2.071 -14.669 661 1HB LYS 24 1HB LYS 24 -8.196 2.954 -12.774 662 2HB LYS 24 2HB LYS 24 -7.424 4.362 -13.503 663 1HG LYS 24 1HG LYS 24 -7.763 2.744 -15.688 664 2HG LYS 24 2HG LYS 24 -9.189 2.344 -14.732 665 1HD LYS 24 1HD LYS 24 -9.377 4.956 -14.456 666 2HD LYS 24 2HD LYS 24 -8.379 4.983 -15.909 667 1HE LYS 24 1HE LYS 24 -10.700 3.121 -15.959 668 2HE LYS 24 2HE LYS 24 -11.070 4.855 -16.035 669 1HZ LYS 24 1HZ LYS 24 -9.317 5.046 -17.756 670 2HZ LYS 24 2HZ LYS 24 -10.630 4.093 -18.247 671 3HZ LYS 24 3HZ LYS 24 -9.182 3.355 -17.769 672 H VAL 25 H VAL 25 -5.202 3.226 -11.494 673 HA VAL 25 HA VAL 25 -3.735 5.539 -12.446 674 HB VAL 25 HB VAL 25 -3.475 3.858 -9.930 675 1HG1 VAL 25 1HG1 VAL 25 -2.546 5.916 -8.945 676 2HG1 VAL 25 2HG1 VAL 25 -2.690 6.732 -10.503 677 3HG1 VAL 25 3HG1 VAL 25 -1.568 5.384 -10.313 678 1HG2 VAL 25 1HG2 VAL 25 -4.886 6.429 -9.802 679 2HG2 VAL 25 2HG2 VAL 25 -5.356 4.857 -9.151 680 3HG2 VAL 25 3HG2 VAL 25 -5.689 5.249 -10.838 681 H ALA 26 H ALA 26 -2.833 2.162 -11.736 682 HA ALA 26 HA ALA 26 -0.004 2.506 -12.129 683 1HB ALA 26 1HB ALA 26 -0.041 0.056 -12.225 684 2HB ALA 26 2HB ALA 26 -1.778 0.076 -12.532 685 3HB ALA 26 3HB ALA 26 -1.151 0.610 -10.972 686 H GLU 27 H GLU 27 -2.682 1.616 -14.299 687 HA GLU 27 HA GLU 27 -1.014 1.151 -16.621 688 1HB GLU 27 1HB GLU 27 -3.395 0.350 -16.071 689 2HB GLU 27 2HB GLU 27 -3.929 1.964 -16.540 690 1HG GLU 27 1HG GLU 27 -2.534 1.533 -18.701 691 2HG GLU 27 2HG GLU 27 -2.649 -0.163 -18.236 692 H GLU 28 H GLU 28 -2.299 3.997 -15.070 693 HA GLU 28 HA GLU 28 -2.281 5.748 -17.382 694 1HB GLU 28 1HB GLU 28 -2.659 5.846 -14.460 695 2HB GLU 28 2HB GLU 28 -1.960 7.319 -15.136 696 1HG GLU 28 1HG GLU 28 -4.091 6.389 -16.842 697 2HG GLU 28 2HG GLU 28 -4.678 6.530 -15.186 698 H ASN 29 H ASN 29 -0.059 5.424 -14.587 699 HA ASN 29 HA ASN 29 1.967 7.142 -15.738 700 1HB ASN 29 1HB ASN 29 1.795 5.159 -13.466 701 2HB ASN 29 2HB ASN 29 3.312 5.976 -13.847 702 1HD2 ASN 29 1HD2 ASN 29 2.014 6.471 -11.364 703 2HD2 ASN 29 2HD2 ASN 29 1.426 8.063 -11.361 704 H GLY 30 H GLY 30 1.233 3.725 -15.966 705 1HA GLY 30 1HA GLY 30 2.092 2.326 -17.734 706 2HA GLY 30 2HA GLY 30 3.462 3.425 -17.900 707 H ARG 31 H ARG 31 2.025 1.180 -15.512 708 HA ARG 31 HA ARG 31 4.503 -0.251 -15.128 709 1HB ARG 31 1HB ARG 31 5.011 0.653 -12.869 710 2HB ARG 31 2HB ARG 31 5.108 1.908 -14.103 711 1HG ARG 31 1HG ARG 31 3.356 3.059 -13.238 712 2HG ARG 31 2HG ARG 31 2.423 1.590 -12.946 713 1HD ARG 31 1HD ARG 31 2.868 1.968 -10.739 714 2HD ARG 31 2HD ARG 31 4.504 1.388 -11.109 715 HE ARG 31 HE ARG 31 3.731 4.186 -10.727 716 1HH1 ARG 31 1HH1 ARG 31 6.327 2.218 -10.560 717 2HH1 ARG 31 2HH1 ARG 31 7.435 3.238 -11.415 718 1HH2 ARG 31 1HH2 ARG 31 4.980 5.406 -12.551 719 2HH2 ARG 31 2HH2 ARG 31 6.674 5.042 -12.542 720 H SER 32 H SER 32 4.154 -1.100 -12.484 721 HA SER 32 HA SER 32 1.646 -2.657 -12.721 722 1HB SER 32 1HB SER 32 3.780 -3.788 -12.285 723 2HB SER 32 2HB SER 32 4.046 -2.779 -10.865 724 HG SER 32 HG SER 32 3.134 -4.888 -10.427 725 H VAL 33 H VAL 33 0.506 -3.039 -10.507 726 HA VAL 33 HA VAL 33 -0.219 -0.421 -9.406 727 HB VAL 33 HB VAL 33 -1.141 -3.286 -9.048 728 1HG1 VAL 33 1HG1 VAL 33 -1.619 -0.989 -7.379 729 2HG1 VAL 33 2HG1 VAL 33 -2.226 -2.633 -7.196 730 3HG1 VAL 33 3HG1 VAL 33 -3.120 -1.468 -8.172 731 1HG2 VAL 33 1HG2 VAL 33 -2.736 -2.798 -10.636 732 2HG2 VAL 33 2HG2 VAL 33 -1.481 -1.678 -11.174 733 3HG2 VAL 33 3HG2 VAL 33 -2.818 -1.095 -10.181 734 H ASN 34 H ASN 34 1.766 -3.156 -8.519 735 HA ASN 34 HA ASN 34 1.808 -2.808 -5.664 736 1HB ASN 34 1HB ASN 34 3.220 -4.240 -7.786 737 2HB ASN 34 2HB ASN 34 4.318 -3.731 -6.505 738 1HD2 ASN 34 1HD2 ASN 34 4.305 -4.959 -4.598 739 2HD2 ASN 34 2HD2 ASN 34 3.146 -6.140 -4.228 740 H SER 35 H SER 35 3.392 -1.164 -8.327 741 HA SER 35 HA SER 35 5.229 0.300 -6.529 742 1HB SER 35 1HB SER 35 4.766 -0.041 -9.470 743 2HB SER 35 2HB SER 35 5.616 1.403 -8.930 744 HG SER 35 HG SER 35 7.295 0.199 -8.604 745 H GLU 36 H GLU 36 2.252 0.840 -8.402 746 HA GLU 36 HA GLU 36 2.121 3.671 -8.217 747 1HB GLU 36 1HB GLU 36 0.733 1.809 -9.457 748 2HB GLU 36 2HB GLU 36 -0.257 1.840 -7.997 749 1HG GLU 36 1HG GLU 36 -1.145 3.374 -9.689 750 2HG GLU 36 2HG GLU 36 -0.587 4.255 -8.269 751 H ILE 37 H ILE 37 1.140 1.096 -5.983 752 HA ILE 37 HA ILE 37 -0.039 2.909 -4.018 753 HB ILE 37 HB ILE 37 0.827 -0.002 -4.055 754 1HG1 ILE 37 1HG1 ILE 37 -1.109 0.760 -5.499 755 2HG1 ILE 37 2HG1 ILE 37 -1.523 -0.472 -4.311 756 1HG2 ILE 37 1HG2 ILE 37 0.806 0.208 -1.781 757 2HG2 ILE 37 2HG2 ILE 37 -0.945 0.144 -1.999 758 3HG2 ILE 37 3HG2 ILE 37 -0.134 1.702 -1.827 759 1HD1 ILE 37 1HD1 ILE 37 -1.941 2.508 -3.917 760 2HD1 ILE 37 2HD1 ILE 37 -2.436 1.227 -2.808 761 3HD1 ILE 37 3HD1 ILE 37 -3.201 1.370 -4.391 762 H TYR 38 H TYR 38 3.141 1.611 -4.715 763 HA TYR 38 HA TYR 38 4.303 2.114 -2.103 764 1HB TYR 38 1HB TYR 38 5.174 0.447 -3.648 765 2HB TYR 38 2HB TYR 38 5.401 1.669 -4.896 766 HD1 TYR 38 HD1 TYR 38 7.620 2.237 -5.232 767 HD2 TYR 38 HD2 TYR 38 6.245 1.386 -1.240 768 HE1 TYR 38 HE1 TYR 38 9.901 2.732 -4.346 769 HE2 TYR 38 HE2 TYR 38 8.521 1.878 -0.344 770 HH TYR 38 HH TYR 38 11.081 3.163 -2.430 771 H GLN 39 H GLN 39 3.768 4.003 -5.019 772 HA GLN 39 HA GLN 39 5.648 6.133 -4.274 773 1HB GLN 39 1HB GLN 39 3.505 5.758 -6.389 774 2HB GLN 39 2HB GLN 39 4.486 7.220 -6.273 775 1HG GLN 39 1HG GLN 39 5.639 4.428 -6.530 776 2HG GLN 39 2HG GLN 39 5.391 5.521 -7.894 777 1HE2 GLN 39 1HE2 GLN 39 7.629 4.630 -5.476 778 2HE2 GLN 39 2HE2 GLN 39 8.664 5.968 -5.607 779 H ARG 40 H ARG 40 2.090 5.788 -4.491 780 HA ARG 40 HA ARG 40 1.391 8.335 -3.430 781 1HB ARG 40 1HB ARG 40 0.076 5.599 -3.316 782 2HB ARG 40 2HB ARG 40 -0.750 7.095 -2.885 783 1HG ARG 40 1HG ARG 40 0.131 7.881 -5.258 784 2HG ARG 40 2HG ARG 40 0.172 6.145 -5.571 785 1HD ARG 40 1HD ARG 40 -2.245 6.105 -4.648 786 2HD ARG 40 2HD ARG 40 -2.215 7.865 -4.877 787 HE ARG 40 HE ARG 40 -2.112 5.846 -7.024 788 1HH1 ARG 40 1HH1 ARG 40 -3.623 8.570 -6.762 789 2HH1 ARG 40 2HH1 ARG 40 -2.830 9.467 -8.014 790 1HH2 ARG 40 1HH2 ARG 40 -0.203 7.225 -8.321 791 2HH2 ARG 40 2HH2 ARG 40 -0.893 8.705 -8.896 792 H VAL 41 H VAL 41 2.448 5.362 -1.916 793 HA VAL 41 HA VAL 41 1.765 6.191 0.817 794 HB VAL 41 HB VAL 41 3.260 3.916 -0.513 795 1HG1 VAL 41 1HG1 VAL 41 4.144 4.494 1.836 796 2HG1 VAL 41 2HG1 VAL 41 3.577 2.844 1.579 797 3HG1 VAL 41 3HG1 VAL 41 2.553 4.007 2.424 798 1HG2 VAL 41 1HG2 VAL 41 0.742 3.810 1.140 799 2HG2 VAL 41 2HG2 VAL 41 1.313 2.658 -0.063 800 3HG2 VAL 41 3HG2 VAL 41 0.695 4.228 -0.571 801 H MET 42 H MET 42 4.508 6.320 -1.358 802 HA MET 42 HA MET 42 6.516 6.916 0.665 803 1HB MET 42 1HB MET 42 6.281 6.407 -2.158 804 2HB MET 42 2HB MET 42 7.239 7.863 -1.919 805 1HG MET 42 1HG MET 42 8.658 6.629 -0.287 806 2HG MET 42 2HG MET 42 7.730 5.167 -0.624 807 1HE MET 42 1HE MET 42 10.924 7.030 -1.514 808 2HE MET 42 2HE MET 42 9.624 8.082 -2.071 809 3HE MET 42 3HE MET 42 10.737 7.376 -3.239 810 H GLU 43 H GLU 43 4.173 8.776 -1.151 811 HA GLU 43 HA GLU 43 5.499 11.357 -0.827 812 1HB GLU 43 1HB GLU 43 3.004 10.211 -1.931 813 2HB GLU 43 2HB GLU 43 2.860 11.868 -1.348 814 1HG GLU 43 1HG GLU 43 5.193 12.078 -2.688 815 2HG GLU 43 2HG GLU 43 4.429 10.799 -3.632 816 H SER 44 H SER 44 3.031 9.516 0.926 817 HA SER 44 HA SER 44 2.042 11.541 2.646 818 1HB SER 44 1HB SER 44 1.446 9.601 4.067 819 2HB SER 44 2HB SER 44 1.126 9.264 2.368 820 HG SER 44 HG SER 44 2.332 7.578 2.768 821 H PHE 45 H PHE 45 4.893 9.429 2.983 822 HA PHE 45 HA PHE 45 5.641 10.444 5.599 823 1HB PHE 45 1HB PHE 45 7.084 8.905 3.419 824 2HB PHE 45 2HB PHE 45 7.729 9.157 5.041 825 HD1 PHE 45 HD1 PHE 45 6.488 6.625 3.264 826 HD2 PHE 45 HD2 PHE 45 5.379 8.891 6.767 827 HE1 PHE 45 HE1 PHE 45 5.179 4.681 4.106 828 HE2 PHE 45 HE2 PHE 45 4.070 6.945 7.610 829 HZ PHE 45 HZ PHE 45 3.973 4.840 6.282 830 H LYS 46 H LYS 46 6.556 11.211 2.251 831 HA LYS 46 HA LYS 46 8.811 12.855 2.741 832 1HB LYS 46 1HB LYS 46 7.436 11.977 0.589 833 2HB LYS 46 2HB LYS 46 6.850 13.640 0.641 834 1HG LYS 46 1HG LYS 46 9.167 14.471 0.641 835 2HG LYS 46 2HG LYS 46 9.768 12.813 0.622 836 1HD LYS 46 1HD LYS 46 7.814 13.565 -1.497 837 2HD LYS 46 2HD LYS 46 9.443 14.227 -1.635 838 1HE LYS 46 1HE LYS 46 9.795 11.513 -0.935 839 2HE LYS 46 2HE LYS 46 8.549 11.535 -2.198 840 1HZ LYS 46 1HZ LYS 46 11.246 12.764 -2.282 841 2HZ LYS 46 2HZ LYS 46 10.017 13.186 -3.377 842 3HZ LYS 46 3HZ LYS 46 10.603 11.592 -3.329 843 H LYS 47 H LYS 47 5.350 13.762 2.567 844 HA LYS 47 HA LYS 47 5.688 16.556 3.023 845 1HB LYS 47 1HB LYS 47 3.524 14.505 3.357 846 2HB LYS 47 2HB LYS 47 3.255 16.129 3.990 847 1HG LYS 47 1HG LYS 47 4.350 16.553 1.454 848 2HG LYS 47 2HG LYS 47 3.234 15.206 1.229 849 1HD LYS 47 1HD LYS 47 1.468 16.529 2.401 850 2HD LYS 47 2HD LYS 47 2.585 17.893 2.473 851 1HE LYS 47 1HE LYS 47 2.622 17.030 -0.220 852 2HE LYS 47 2HE LYS 47 0.915 17.062 0.263 853 1HZ LYS 47 1HZ LYS 47 2.881 19.240 0.738 854 2HZ LYS 47 2HZ LYS 47 1.247 19.259 1.201 855 3HZ LYS 47 3HZ LYS 47 1.667 19.258 -0.445 856 H GLU 48 H GLU 48 5.473 13.819 5.266 857 HA GLU 48 HA GLU 48 5.345 15.530 7.645 858 1HB GLU 48 1HB GLU 48 5.190 12.695 6.890 859 2HB GLU 48 2HB GLU 48 6.012 12.961 8.428 860 1HG GLU 48 1HG GLU 48 3.993 14.576 8.907 861 2HG GLU 48 2HG GLU 48 3.188 13.630 7.654 862 H GLY 49 H GLY 49 7.854 14.324 5.605 863 1HA GLY 49 1HA GLY 49 10.175 14.723 5.757 864 2HA GLY 49 2HA GLY 49 9.894 15.529 7.301 865 H ARG 50 H ARG 50 8.601 12.335 6.831 866 HA ARG 50 HA ARG 50 10.050 11.285 9.105 867 1HB ARG 50 1HB ARG 50 8.469 9.915 6.903 868 2HB ARG 50 2HB ARG 50 8.862 9.217 8.475 869 1HG ARG 50 1HG ARG 50 7.611 11.840 8.729 870 2HG ARG 50 2HG ARG 50 6.580 10.696 7.871 871 1HD ARG 50 1HD ARG 50 6.046 9.743 9.854 872 2HD ARG 50 2HD ARG 50 7.751 9.303 10.077 873 HE ARG 50 HE ARG 50 7.982 11.776 10.886 874 1HH1 ARG 50 1HH1 ARG 50 6.004 9.335 12.037 875 2HH1 ARG 50 2HH1 ARG 50 5.056 10.346 13.076 876 1HH2 ARG 50 1HH2 ARG 50 6.402 13.305 11.867 877 2HH2 ARG 50 2HH2 ARG 50 5.279 12.594 12.978 878 H ILE 51 H ILE 51 10.475 11.096 5.594 879 HA ILE 51 HA ILE 51 12.649 9.117 5.800 880 HB ILE 51 HB ILE 51 11.741 10.800 3.443 881 1HG1 ILE 51 1HG1 ILE 51 10.731 8.048 4.231 882 2HG1 ILE 51 2HG1 ILE 51 9.855 9.537 4.585 883 1HG2 ILE 51 1HG2 ILE 51 13.631 9.722 2.684 884 2HG2 ILE 51 2HG2 ILE 51 12.454 8.441 2.395 885 3HG2 ILE 51 3HG2 ILE 51 13.467 8.398 3.838 886 1HD1 ILE 51 1HD1 ILE 51 9.425 8.140 2.336 887 2HD1 ILE 51 2HD1 ILE 51 10.764 9.141 1.775 888 3HD1 ILE 51 3HD1 ILE 51 9.294 9.898 2.386 889 H GLY 52 H GLY 52 14.761 9.768 4.558 890 1HA GLY 52 1HA GLY 52 15.551 12.512 5.447 891 2HA GLY 52 2HA GLY 52 16.654 11.136 5.450 892 H ALA 53 H ALA 53 15.865 10.068 2.896 893 HA ALA 53 HA ALA 53 16.746 12.261 1.047 894 1HB ALA 53 1HB ALA 53 17.909 9.631 1.742 895 2HB ALA 53 2HB ALA 53 18.699 11.073 1.105 896 3HB ALA 53 3HB ALA 53 17.850 9.979 0.013 Start of MODEL 3 1 1H MET 1 1H MET 1 -3.700 -13.366 21.512 2 2H MET 1 2H MET 1 -3.460 -11.986 20.551 3 3H MET 1 3H MET 1 -2.231 -12.525 21.594 4 HA MET 1 HA MET 1 -2.296 -14.688 20.227 5 1HB MET 1 1HB MET 1 -4.027 -12.713 18.782 6 2HB MET 1 2HB MET 1 -3.059 -13.832 17.823 7 1HG MET 1 1HG MET 1 -4.056 -15.743 18.946 8 2HG MET 1 2HG MET 1 -4.924 -14.682 20.056 9 1HE MET 1 1HE MET 1 -5.177 -16.937 17.709 10 2HE MET 1 2HE MET 1 -4.916 -16.069 16.198 11 3HE MET 1 3HE MET 1 -6.537 -16.608 16.628 12 H LYS 2 H LYS 2 -2.042 -11.428 18.743 13 HA LYS 2 HA LYS 2 -0.174 -10.341 17.783 14 1HB LYS 2 1HB LYS 2 0.741 -11.785 20.239 15 2HB LYS 2 2HB LYS 2 1.973 -11.052 19.211 16 1HG LYS 2 1HG LYS 2 -0.422 -9.398 19.864 17 2HG LYS 2 2HG LYS 2 0.749 -9.668 21.154 18 1HD LYS 2 1HD LYS 2 2.556 -8.926 19.555 19 2HD LYS 2 2HD LYS 2 1.282 -8.464 18.427 20 1HE LYS 2 1HE LYS 2 0.487 -6.742 19.831 21 2HE LYS 2 2HE LYS 2 1.268 -7.432 21.267 22 1HZ LYS 2 1HZ LYS 2 2.697 -6.383 18.882 23 2HZ LYS 2 2HZ LYS 2 3.420 -7.012 20.286 24 3HZ LYS 2 3HZ LYS 2 2.539 -5.560 20.357 25 H GLY 3 H GLY 3 -0.132 -11.393 15.727 26 1HA GLY 3 1HA GLY 3 1.081 -14.008 15.369 27 2HA GLY 3 2HA GLY 3 0.630 -12.894 14.077 28 H MET 4 H MET 4 2.158 -10.657 14.775 29 HA MET 4 HA MET 4 4.336 -9.795 14.449 30 1HB MET 4 1HB MET 4 4.280 -11.426 16.639 31 2HB MET 4 2HB MET 4 5.552 -12.196 15.690 32 1HG MET 4 1HG MET 4 6.456 -9.763 15.390 33 2HG MET 4 2HG MET 4 5.453 -9.399 16.794 34 1HE MET 4 1HE MET 4 8.828 -9.252 16.566 35 2HE MET 4 2HE MET 4 8.982 -9.510 18.303 36 3HE MET 4 3HE MET 4 7.653 -8.537 17.678 37 H SER 5 H SER 5 3.155 -11.950 12.550 38 HA SER 5 HA SER 5 5.277 -13.581 11.539 39 1HB SER 5 1HB SER 5 2.638 -12.528 10.645 40 2HB SER 5 2HB SER 5 3.700 -13.158 9.390 41 HG SER 5 HG SER 5 2.745 -14.953 10.070 42 H LYS 6 H LYS 6 5.944 -13.129 9.059 43 HA LYS 6 HA LYS 6 7.625 -10.759 9.096 44 1HB LYS 6 1HB LYS 6 6.911 -12.789 6.954 45 2HB LYS 6 2HB LYS 6 8.218 -11.612 6.819 46 1HG LYS 6 1HG LYS 6 9.063 -12.596 9.062 47 2HG LYS 6 2HG LYS 6 7.987 -13.949 8.711 48 1HD LYS 6 1HD LYS 6 9.129 -14.429 6.650 49 2HD LYS 6 2HD LYS 6 10.060 -12.935 6.752 50 1HE LYS 6 1HE LYS 6 11.651 -14.345 7.649 51 2HE LYS 6 2HE LYS 6 10.723 -14.076 9.137 52 1HZ LYS 6 1HZ LYS 6 10.822 -16.406 8.846 53 2HZ LYS 6 2HZ LYS 6 10.435 -16.299 7.195 54 3HZ LYS 6 3HZ LYS 6 9.259 -15.951 8.369 55 H MET 7 H MET 7 7.447 -9.857 6.443 56 HA MET 7 HA MET 7 5.004 -8.199 6.595 57 1HB MET 7 1HB MET 7 6.173 -6.927 4.838 58 2HB MET 7 2HB MET 7 7.273 -7.271 6.172 59 1HG MET 7 1HG MET 7 7.456 -9.487 4.433 60 2HG MET 7 2HG MET 7 7.479 -8.060 3.397 61 1HE MET 7 1HE MET 7 9.811 -7.082 2.757 62 2HE MET 7 2HE MET 7 10.532 -6.171 4.082 63 3HE MET 7 3HE MET 7 8.801 -6.052 3.782 64 HA PRO 8 HA PRO 8 2.787 -10.342 3.459 65 1HB PRO 8 1HB PRO 8 1.651 -8.302 2.028 66 2HB PRO 8 2HB PRO 8 1.107 -8.771 3.652 67 1HG PRO 8 1HG PRO 8 2.850 -6.509 2.819 68 2HG PRO 8 2HG PRO 8 1.605 -6.574 4.074 69 1HD PRO 8 1HD PRO 8 4.273 -6.703 4.597 70 2HD PRO 8 2HD PRO 8 3.029 -7.431 5.635 71 H GLN 9 H GLN 9 3.034 -11.066 1.299 72 HA GLN 9 HA GLN 9 5.522 -10.598 -0.009 73 1HB GLN 9 1HB GLN 9 2.953 -11.990 -0.499 74 2HB GLN 9 2HB GLN 9 3.897 -11.624 -1.944 75 1HG GLN 9 1HG GLN 9 5.093 -13.482 -1.470 76 2HG GLN 9 2HG GLN 9 5.800 -12.556 -0.147 77 1HE2 GLN 9 1HE2 GLN 9 4.764 -12.784 2.023 78 2HE2 GLN 9 2HE2 GLN 9 3.864 -14.179 2.381 79 H PHE 10 H PHE 10 2.538 -8.811 -0.119 80 HA PHE 10 HA PHE 10 2.842 -7.631 -2.737 81 1HB PHE 10 1HB PHE 10 0.741 -7.712 -1.438 82 2HB PHE 10 2HB PHE 10 1.455 -6.655 -0.217 83 HD1 PHE 10 HD1 PHE 10 1.555 -4.286 -0.523 84 HD2 PHE 10 HD2 PHE 10 0.453 -6.858 -3.811 85 HE1 PHE 10 HE1 PHE 10 0.901 -2.289 -1.865 86 HE2 PHE 10 HE2 PHE 10 -0.196 -4.859 -5.153 87 HZ PHE 10 HZ PHE 10 0.027 -2.577 -4.183 88 H LEU 11 H LEU 11 4.073 -6.816 0.477 89 HA LEU 11 HA LEU 11 5.198 -4.250 -0.488 90 1HB LEU 11 1HB LEU 11 5.232 -5.706 2.176 91 2HB LEU 11 2HB LEU 11 5.850 -4.074 1.918 92 HG LEU 11 HG LEU 11 2.998 -4.938 1.361 93 1HD1 LEU 11 1HD1 LEU 11 4.126 -4.622 3.839 94 2HD1 LEU 11 2HD1 LEU 11 2.424 -4.332 3.478 95 3HD1 LEU 11 3HD1 LEU 11 3.562 -2.985 3.500 96 1HD2 LEU 11 1HD2 LEU 11 2.876 -2.280 1.526 97 2HD2 LEU 11 2HD2 LEU 11 3.303 -3.077 0.011 98 3HD2 LEU 11 3HD2 LEU 11 4.567 -2.407 1.044 99 H ASN 12 H ASN 12 6.149 -7.142 -1.261 100 HA ASN 12 HA ASN 12 8.811 -7.423 -0.154 101 1HB ASN 12 1HB ASN 12 7.089 -9.017 -1.460 102 2HB ASN 12 2HB ASN 12 8.066 -8.505 -2.837 103 1HD2 ASN 12 1HD2 ASN 12 7.964 -10.652 -0.147 104 2HD2 ASN 12 2HD2 ASN 12 9.567 -11.201 -0.241 105 H ARG 13 H ARG 13 7.443 -5.614 -2.828 106 HA ARG 13 HA ARG 13 10.035 -5.132 -4.123 107 1HB ARG 13 1HB ARG 13 7.293 -5.010 -4.764 108 2HB ARG 13 2HB ARG 13 7.872 -3.347 -4.861 109 1HG ARG 13 1HG ARG 13 8.292 -4.216 -7.017 110 2HG ARG 13 2HG ARG 13 9.854 -4.324 -6.206 111 1HD ARG 13 1HD ARG 13 9.869 -6.585 -6.389 112 2HD ARG 13 2HD ARG 13 8.228 -6.703 -5.721 113 HE ARG 13 HE ARG 13 7.954 -5.632 -8.314 114 1HH1 ARG 13 1HH1 ARG 13 10.214 -7.963 -7.950 115 2HH1 ARG 13 2HH1 ARG 13 9.360 -9.228 -8.768 116 1HH2 ARG 13 1HH2 ARG 13 6.361 -7.491 -8.879 117 2HH2 ARG 13 2HH2 ARG 13 7.177 -8.962 -9.296 118 H TRP 14 H TRP 14 8.229 -3.733 -1.550 119 HA TRP 14 HA TRP 14 9.145 -0.996 -1.775 120 1HB TRP 14 1HB TRP 14 7.977 -2.752 0.386 121 2HB TRP 14 2HB TRP 14 8.356 -1.055 0.654 122 HD1 TRP 14 HD1 TRP 14 6.970 -2.288 -2.710 123 HE1 TRP 14 HE1 TRP 14 4.632 -1.260 -3.050 124 HE3 TRP 14 HE3 TRP 14 6.350 -0.104 1.836 125 HZ2 TRP 14 HZ2 TRP 14 2.717 0.299 -1.563 126 HZ3 TRP 14 HZ3 TRP 14 4.253 1.151 2.383 127 HH2 TRP 14 HH2 TRP 14 2.444 1.350 0.684 128 HA PRO 15 HA PRO 15 13.219 -1.667 -0.192 129 1HB PRO 15 1HB PRO 15 13.794 0.860 0.669 130 2HB PRO 15 2HB PRO 15 13.788 0.391 -1.040 131 1HG PRO 15 1HG PRO 15 11.743 1.863 0.526 132 2HG PRO 15 2HG PRO 15 12.241 2.073 -1.158 133 1HD PRO 15 1HD PRO 15 9.951 0.775 -0.374 134 2HD PRO 15 2HD PRO 15 10.787 0.485 -1.915 135 H ARG 16 H ARG 16 14.460 -1.440 1.849 136 HA ARG 16 HA ARG 16 12.964 -2.246 4.151 137 1HB ARG 16 1HB ARG 16 15.625 -2.085 3.199 138 2HB ARG 16 2HB ARG 16 15.593 -1.178 4.705 139 1HG ARG 16 1HG ARG 16 14.077 -3.344 5.342 140 2HG ARG 16 2HG ARG 16 15.245 -4.047 4.227 141 1HD ARG 16 1HD ARG 16 16.890 -3.937 5.792 142 2HD ARG 16 2HD ARG 16 16.545 -2.223 6.095 143 HE ARG 16 HE ARG 16 14.473 -3.251 7.389 144 1HH1 ARG 16 1HH1 ARG 16 17.733 -3.369 8.011 145 2HH1 ARG 16 2HH1 ARG 16 17.662 -4.659 9.165 146 1HH2 ARG 16 1HH2 ARG 16 14.341 -5.410 8.517 147 2HH2 ARG 16 2HH2 ARG 16 15.743 -5.814 9.451 148 H GLU 17 H GLU 17 14.428 0.773 3.148 149 HA GLU 17 HA GLU 17 14.157 2.273 5.539 150 1HB GLU 17 1HB GLU 17 14.245 2.915 2.596 151 2HB GLU 17 2HB GLU 17 14.129 4.200 3.799 152 1HG GLU 17 1HG GLU 17 16.195 3.555 4.822 153 2HG GLU 17 2HG GLU 17 16.248 2.043 3.915 154 H VAL 18 H VAL 18 11.774 1.680 2.954 155 HA VAL 18 HA VAL 18 9.862 3.601 4.087 156 HB VAL 18 HB VAL 18 9.707 1.485 1.912 157 1HG1 VAL 18 1HG1 VAL 18 7.705 3.435 2.998 158 2HG1 VAL 18 2HG1 VAL 18 7.457 1.791 2.407 159 3HG1 VAL 18 3HG1 VAL 18 7.714 3.110 1.264 160 1HG2 VAL 18 1HG2 VAL 18 9.633 4.438 1.441 161 2HG2 VAL 18 2HG2 VAL 18 10.289 3.159 0.421 162 3HG2 VAL 18 3HG2 VAL 18 11.188 3.705 1.837 163 H LEU 19 H LEU 19 10.088 0.035 3.876 164 HA LEU 19 HA LEU 19 7.633 -0.524 5.229 165 1HB LEU 19 1HB LEU 19 10.234 -2.052 4.930 166 2HB LEU 19 2HB LEU 19 8.730 -2.769 5.512 167 HG LEU 19 HG LEU 19 8.891 -1.301 2.876 168 1HD1 LEU 19 1HD1 LEU 19 8.877 -3.754 1.979 169 2HD1 LEU 19 2HD1 LEU 19 9.556 -4.157 3.555 170 3HD1 LEU 19 3HD1 LEU 19 10.410 -3.047 2.486 171 1HD2 LEU 19 1HD2 LEU 19 6.718 -1.984 4.271 172 2HD2 LEU 19 2HD2 LEU 19 7.020 -3.547 3.511 173 3HD2 LEU 19 3HD2 LEU 19 6.757 -2.118 2.512 174 H ASP 20 H ASP 20 10.820 0.304 6.413 175 HA ASP 20 HA ASP 20 10.480 -0.619 9.129 176 1HB ASP 20 1HB ASP 20 12.636 -0.095 7.975 177 2HB ASP 20 2HB ASP 20 12.191 1.613 7.979 178 H LEU 21 H LEU 21 9.409 2.186 7.363 179 HA LEU 21 HA LEU 21 8.785 3.756 9.785 180 1HB LEU 21 1HB LEU 21 9.656 4.805 7.739 181 2HB LEU 21 2HB LEU 21 8.312 4.145 6.810 182 HG LEU 21 HG LEU 21 6.903 5.419 8.707 183 1HD1 LEU 21 1HD1 LEU 21 9.356 6.175 9.506 184 2HD1 LEU 21 2HD1 LEU 21 7.946 7.223 9.672 185 3HD1 LEU 21 3HD1 LEU 21 9.053 7.438 8.314 186 1HD2 LEU 21 1HD2 LEU 21 8.105 6.411 6.131 187 2HD2 LEU 21 2HD2 LEU 21 7.035 7.450 7.076 188 3HD2 LEU 21 3HD2 LEU 21 6.446 5.908 6.456 189 H VAL 22 H VAL 22 7.063 2.058 7.164 190 HA VAL 22 HA VAL 22 4.402 2.687 7.757 191 HB VAL 22 HB VAL 22 5.592 0.017 6.941 192 1HG1 VAL 22 1HG1 VAL 22 2.872 1.243 6.398 193 2HG1 VAL 22 2HG1 VAL 22 3.192 -0.065 7.535 194 3HG1 VAL 22 3HG1 VAL 22 3.438 -0.319 5.807 195 1HG2 VAL 22 1HG2 VAL 22 6.319 1.106 5.105 196 2HG2 VAL 22 2HG2 VAL 22 5.568 2.608 5.648 197 3HG2 VAL 22 3HG2 VAL 22 4.633 1.447 4.707 198 H ARG 23 H ARG 23 6.370 0.052 9.159 199 HA ARG 23 HA ARG 23 4.427 -1.154 10.805 200 1HB ARG 23 1HB ARG 23 7.351 -0.665 11.455 201 2HB ARG 23 2HB ARG 23 6.350 -1.990 12.046 202 1HG ARG 23 1HG ARG 23 6.184 -1.964 9.190 203 2HG ARG 23 2HG ARG 23 7.887 -1.882 9.639 204 1HD ARG 23 1HD ARG 23 5.874 -3.965 10.566 205 2HD ARG 23 2HD ARG 23 7.271 -4.230 9.503 206 HE ARG 23 HE ARG 23 8.461 -3.115 11.688 207 1HH1 ARG 23 1HH1 ARG 23 8.801 -6.017 11.257 208 2HH1 ARG 23 2HH1 ARG 23 8.113 -6.706 12.690 209 1HH2 ARG 23 1HH2 ARG 23 6.407 -3.820 13.577 210 2HH2 ARG 23 2HH2 ARG 23 6.758 -5.462 14.004 211 H LYS 24 H LYS 24 6.800 1.323 11.875 212 HA LYS 24 HA LYS 24 5.782 1.761 14.459 213 1HB LYS 24 1HB LYS 24 7.502 3.065 12.490 214 2HB LYS 24 2HB LYS 24 6.687 4.234 13.532 215 1HG LYS 24 1HG LYS 24 8.111 1.801 14.628 216 2HG LYS 24 2HG LYS 24 8.923 3.349 14.394 217 1HD LYS 24 1HD LYS 24 7.619 4.428 16.013 218 2HD LYS 24 2HD LYS 24 6.329 3.228 15.914 219 1HE LYS 24 1HE LYS 24 8.295 1.599 16.741 220 2HE LYS 24 2HE LYS 24 8.898 3.117 17.435 221 1HZ LYS 24 1HZ LYS 24 6.969 3.438 18.645 222 2HZ LYS 24 2HZ LYS 24 7.175 1.757 18.765 223 3HZ LYS 24 3HZ LYS 24 6.046 2.402 17.671 224 H VAL 25 H VAL 25 4.450 2.777 11.392 225 HA VAL 25 HA VAL 25 2.763 4.887 12.533 226 HB VAL 25 HB VAL 25 2.803 3.471 9.848 227 1HG1 VAL 25 1HG1 VAL 25 0.720 4.875 10.698 228 2HG1 VAL 25 2HG1 VAL 25 1.318 5.064 9.049 229 3HG1 VAL 25 3HG1 VAL 25 1.755 6.244 10.286 230 1HG2 VAL 25 1HG2 VAL 25 4.409 4.969 9.169 231 2HG2 VAL 25 2HG2 VAL 25 4.812 4.943 10.887 232 3HG2 VAL 25 3HG2 VAL 25 3.817 6.245 10.233 233 H ALA 26 H ALA 26 2.305 1.516 11.454 234 HA ALA 26 HA ALA 26 -0.551 1.460 11.734 235 1HB ALA 26 1HB ALA 26 -0.115 -1.016 11.770 236 2HB ALA 26 2HB ALA 26 1.608 -0.665 11.907 237 3HB ALA 26 3HB ALA 26 0.722 -0.181 10.462 238 H GLU 27 H GLU 27 2.108 0.958 14.010 239 HA GLU 27 HA GLU 27 0.340 0.004 16.148 240 1HB GLU 27 1HB GLU 27 3.250 0.860 16.039 241 2HB GLU 27 2HB GLU 27 2.486 0.080 17.426 242 1HG GLU 27 1HG GLU 27 2.176 -1.255 14.779 243 2HG GLU 27 2HG GLU 27 3.767 -1.331 15.536 244 H GLU 28 H GLU 28 1.166 3.069 14.873 245 HA GLU 28 HA GLU 28 0.957 4.502 17.449 246 1HB GLU 28 1HB GLU 28 1.489 5.153 14.561 247 2HB GLU 28 2HB GLU 28 1.066 6.450 15.679 248 1HG GLU 28 1HG GLU 28 3.272 4.456 16.239 249 2HG GLU 28 2HG GLU 28 3.558 6.000 15.437 250 H ASN 29 H ASN 29 -0.839 4.487 14.341 251 HA ASN 29 HA ASN 29 -3.043 6.065 15.257 252 1HB ASN 29 1HB ASN 29 -2.383 4.215 13.011 253 2HB ASN 29 2HB ASN 29 -4.091 4.584 13.262 254 1HD2 ASN 29 1HD2 ASN 29 -0.906 6.176 12.784 255 2HD2 ASN 29 2HD2 ASN 29 -1.545 7.589 12.095 256 H GLY 30 H GLY 30 -2.371 2.595 15.412 257 1HA GLY 30 1HA GLY 30 -3.363 1.272 17.234 258 2HA GLY 30 2HA GLY 30 -4.802 2.288 17.117 259 H ARG 31 H ARG 31 -3.123 1.054 14.291 260 HA ARG 31 HA ARG 31 -5.362 -0.890 13.838 261 1HB ARG 31 1HB ARG 31 -4.131 0.997 11.803 262 2HB ARG 31 2HB ARG 31 -5.522 -0.059 11.554 263 1HG ARG 31 1HG ARG 31 -6.683 1.203 13.423 264 2HG ARG 31 2HG ARG 31 -5.348 2.358 13.371 265 1HD ARG 31 1HD ARG 31 -5.864 2.491 10.813 266 2HD ARG 31 2HD ARG 31 -7.435 1.795 11.265 267 HE ARG 31 HE ARG 31 -6.630 4.013 12.984 268 1HH1 ARG 31 1HH1 ARG 31 -9.469 3.427 12.337 269 2HH1 ARG 31 2HH1 ARG 31 -9.866 4.682 11.210 270 1HH2 ARG 31 1HH2 ARG 31 -6.562 5.488 10.537 271 2HH2 ARG 31 2HH2 ARG 31 -8.220 5.848 10.193 272 H SER 32 H SER 32 -4.364 -1.598 11.237 273 HA SER 32 HA SER 32 -1.897 -3.096 12.021 274 1HB SER 32 1HB SER 32 -4.228 -3.569 10.166 275 2HB SER 32 2HB SER 32 -2.732 -4.477 9.963 276 HG SER 32 HG SER 32 -4.281 -5.494 11.363 277 H VAL 33 H VAL 33 -0.528 -3.604 9.922 278 HA VAL 33 HA VAL 33 0.302 -1.061 8.795 279 HB VAL 33 HB VAL 33 1.054 -3.956 8.296 280 1HG1 VAL 33 1HG1 VAL 33 1.708 -1.663 6.799 281 2HG1 VAL 33 2HG1 VAL 33 2.485 -3.244 6.717 282 3HG1 VAL 33 3HG1 VAL 33 3.122 -2.000 7.795 283 1HG2 VAL 33 1HG2 VAL 33 2.707 -3.651 9.949 284 2HG2 VAL 33 2HG2 VAL 33 1.306 -2.815 10.624 285 3HG2 VAL 33 3HG2 VAL 33 2.601 -1.892 9.859 286 H ASN 34 H ASN 34 -1.806 -3.661 7.804 287 HA ASN 34 HA ASN 34 -1.788 -3.000 4.946 288 1HB ASN 34 1HB ASN 34 -2.345 -5.225 6.137 289 2HB ASN 34 2HB ASN 34 -3.894 -4.486 6.545 290 1HD2 ASN 34 1HD2 ASN 34 -5.460 -5.154 5.080 291 2HD2 ASN 34 2HD2 ASN 34 -5.216 -5.356 3.413 292 H SER 35 H SER 35 -3.545 -2.022 7.822 293 HA SER 35 HA SER 35 -5.617 -0.590 6.288 294 1HB SER 35 1HB SER 35 -5.035 -1.411 9.057 295 2HB SER 35 2HB SER 35 -5.764 0.188 8.942 296 HG SER 35 HG SER 35 -7.395 -1.340 9.012 297 H GLU 36 H GLU 36 -2.541 0.052 7.880 298 HA GLU 36 HA GLU 36 -2.809 2.927 8.003 299 1HB GLU 36 1HB GLU 36 -1.274 1.319 9.281 300 2HB GLU 36 2HB GLU 36 -0.304 1.237 7.811 301 1HG GLU 36 1HG GLU 36 0.572 2.939 9.335 302 2HG GLU 36 2HG GLU 36 -0.036 3.679 7.857 303 H ILE 37 H ILE 37 -1.338 0.619 5.713 304 HA ILE 37 HA ILE 37 -0.339 2.589 3.860 305 HB ILE 37 HB ILE 37 -1.175 -0.321 3.606 306 1HG1 ILE 37 1HG1 ILE 37 0.694 0.276 5.210 307 2HG1 ILE 37 2HG1 ILE 37 1.161 -0.825 3.917 308 1HG2 ILE 37 1HG2 ILE 37 -0.458 1.574 1.562 309 2HG2 ILE 37 2HG2 ILE 37 -0.855 -0.136 1.390 310 3HG2 ILE 37 3HG2 ILE 37 0.812 0.354 1.695 311 1HD1 ILE 37 1HD1 ILE 37 2.713 1.205 4.449 312 2HD1 ILE 37 2HD1 ILE 37 1.510 2.147 3.575 313 3HD1 ILE 37 3HD1 ILE 37 2.358 0.835 2.762 314 H TYR 38 H TYR 38 -3.429 0.990 4.351 315 HA TYR 38 HA TYR 38 -4.702 1.630 1.875 316 1HB TYR 38 1HB TYR 38 -5.503 -0.019 3.505 317 2HB TYR 38 2HB TYR 38 -5.727 1.249 4.709 318 HD1 TYR 38 HD1 TYR 38 -7.974 1.718 5.062 319 HD2 TYR 38 HD2 TYR 38 -6.580 0.912 1.067 320 HE1 TYR 38 HE1 TYR 38 -10.260 2.155 4.182 321 HE2 TYR 38 HE2 TYR 38 -8.872 1.348 0.174 322 HH TYR 38 HH TYR 38 -10.980 2.886 1.206 323 H GLN 39 H GLN 39 -4.335 3.419 4.924 324 HA GLN 39 HA GLN 39 -6.085 5.615 4.162 325 1HB GLN 39 1HB GLN 39 -3.891 5.291 6.239 326 2HB GLN 39 2HB GLN 39 -5.015 6.649 6.182 327 1HG GLN 39 1HG GLN 39 -6.020 3.809 6.256 328 2HG GLN 39 2HG GLN 39 -5.610 4.670 7.740 329 1HE2 GLN 39 1HE2 GLN 39 -8.308 3.906 7.216 330 2HE2 GLN 39 2HE2 GLN 39 -9.224 5.308 6.941 331 H ARG 40 H ARG 40 -2.545 5.117 4.193 332 HA ARG 40 HA ARG 40 -1.786 7.709 3.260 333 1HB ARG 40 1HB ARG 40 -0.484 5.017 2.710 334 2HB ARG 40 2HB ARG 40 0.321 6.586 2.756 335 1HG ARG 40 1HG ARG 40 -1.140 6.179 5.210 336 2HG ARG 40 2HG ARG 40 -0.079 4.800 4.915 337 1HD ARG 40 1HD ARG 40 1.858 6.252 4.715 338 2HD ARG 40 2HD ARG 40 0.832 7.697 4.799 339 HE ARG 40 HE ARG 40 1.248 5.780 7.053 340 1HH1 ARG 40 1HH1 ARG 40 2.284 8.615 7.115 341 2HH1 ARG 40 2HH1 ARG 40 1.063 9.415 8.046 342 1HH2 ARG 40 1HH2 ARG 40 -1.263 6.872 7.669 343 2HH2 ARG 40 2HH2 ARG 40 -0.946 8.427 8.361 344 H VAL 41 H VAL 41 -3.113 4.912 1.655 345 HA VAL 41 HA VAL 41 -2.486 5.866 -1.066 346 HB VAL 41 HB VAL 41 -3.997 3.542 0.166 347 1HG1 VAL 41 1HG1 VAL 41 -3.325 2.969 -2.521 348 2HG1 VAL 41 2HG1 VAL 41 -4.119 4.546 -2.537 349 3HG1 VAL 41 3HG1 VAL 41 -4.940 3.149 -1.836 350 1HG2 VAL 41 1HG2 VAL 41 -1.291 4.051 -0.109 351 2HG2 VAL 41 2HG2 VAL 41 -1.647 3.039 -1.507 352 3HG2 VAL 41 3HG2 VAL 41 -2.012 2.460 0.118 353 H MET 42 H MET 42 -5.097 5.938 1.253 354 HA MET 42 HA MET 42 -7.213 6.602 -0.638 355 1HB MET 42 1HB MET 42 -6.807 6.009 2.167 356 2HB MET 42 2HB MET 42 -7.847 7.420 1.994 357 1HG MET 42 1HG MET 42 -9.260 6.141 0.389 358 2HG MET 42 2HG MET 42 -8.253 4.723 0.675 359 1HE MET 42 1HE MET 42 -10.530 7.279 1.736 360 2HE MET 42 2HE MET 42 -11.270 6.821 3.270 361 3HE MET 42 3HE MET 42 -11.740 5.987 1.790 362 H GLU 43 H GLU 43 -4.813 8.394 1.195 363 HA GLU 43 HA GLU 43 -6.175 10.981 0.903 364 1HB GLU 43 1HB GLU 43 -3.550 9.948 1.964 365 2HB GLU 43 2HB GLU 43 -3.812 11.682 1.780 366 1HG GLU 43 1HG GLU 43 -6.068 11.173 3.047 367 2HG GLU 43 2HG GLU 43 -5.199 9.740 3.599 368 H SER 44 H SER 44 -3.738 9.123 -0.823 369 HA SER 44 HA SER 44 -2.603 11.272 -2.361 370 1HB SER 44 1HB SER 44 -1.821 9.374 -3.771 371 2HB SER 44 2HB SER 44 -1.573 9.065 -2.055 372 HG SER 44 HG SER 44 -3.517 8.017 -3.810 373 H PHE 45 H PHE 45 -5.187 8.902 -3.159 374 HA PHE 45 HA PHE 45 -5.774 9.932 -5.756 375 1HB PHE 45 1HB PHE 45 -7.324 8.410 -3.650 376 2HB PHE 45 2HB PHE 45 -7.985 8.733 -5.253 377 HD1 PHE 45 HD1 PHE 45 -6.679 6.152 -3.530 378 HD2 PHE 45 HD2 PHE 45 -5.762 8.443 -7.073 379 HE1 PHE 45 HE1 PHE 45 -5.414 4.214 -4.458 380 HE2 PHE 45 HE2 PHE 45 -4.497 6.506 -8.000 381 HZ PHE 45 HZ PHE 45 -4.325 4.390 -6.693 382 H LYS 46 H LYS 46 -6.603 11.079 -2.562 383 HA LYS 46 HA LYS 46 -8.915 12.658 -3.326 384 1HB LYS 46 1HB LYS 46 -8.429 11.830 -1.042 385 2HB LYS 46 2HB LYS 46 -6.992 12.853 -0.986 386 1HG LYS 46 1HG LYS 46 -8.619 14.152 0.115 387 2HG LYS 46 2HG LYS 46 -8.622 14.801 -1.525 388 1HD LYS 46 1HD LYS 46 -10.850 14.418 -1.492 389 2HD LYS 46 2HD LYS 46 -10.420 12.718 -1.701 390 1HE LYS 46 1HE LYS 46 -10.160 12.765 0.931 391 2HE LYS 46 2HE LYS 46 -11.240 14.167 0.800 392 1HZ LYS 46 1HZ LYS 46 -12.630 12.749 -0.724 393 2HZ LYS 46 2HZ LYS 46 -12.640 12.276 0.907 394 3HZ LYS 46 3HZ LYS 46 -11.700 11.420 -0.224 395 H LYS 47 H LYS 47 -5.444 13.174 -3.374 396 HA LYS 47 HA LYS 47 -5.282 15.993 -3.357 397 1HB LYS 47 1HB LYS 47 -3.753 13.718 -4.574 398 2HB LYS 47 2HB LYS 47 -3.299 15.365 -5.011 399 1HG LYS 47 1HG LYS 47 -3.665 14.574 -2.125 400 2HG LYS 47 2HG LYS 47 -2.134 14.295 -2.955 401 1HD LYS 47 1HD LYS 47 -1.654 16.537 -3.121 402 2HD LYS 47 2HD LYS 47 -3.351 16.999 -3.241 403 1HE LYS 47 1HE LYS 47 -2.506 15.794 -0.651 404 2HE LYS 47 2HE LYS 47 -1.914 17.431 -0.998 405 1HZ LYS 47 1HZ LYS 47 -4.063 17.643 -0.018 406 2HZ LYS 47 2HZ LYS 47 -4.729 16.486 -1.069 407 3HZ LYS 47 3HZ LYS 47 -4.229 17.994 -1.669 408 H GLU 48 H GLU 48 -6.506 13.836 -5.826 409 HA GLU 48 HA GLU 48 -6.643 16.101 -7.779 410 1HB GLU 48 1HB GLU 48 -6.860 13.086 -8.051 411 2HB GLU 48 2HB GLU 48 -7.022 14.216 -9.396 412 1HG GLU 48 1HG GLU 48 -4.782 14.723 -9.423 413 2HG GLU 48 2HG GLU 48 -4.609 14.520 -7.680 414 H GLY 49 H GLY 49 -8.587 13.596 -6.165 415 1HA GLY 49 1HA GLY 49 -10.880 14.250 -5.459 416 2HA GLY 49 2HA GLY 49 -11.020 15.117 -6.988 417 H ARG 50 H ARG 50 -9.550 11.931 -6.710 418 HA ARG 50 HA ARG 50 -11.310 10.860 -8.765 419 1HB ARG 50 1HB ARG 50 -8.851 10.229 -7.371 420 2HB ARG 50 2HB ARG 50 -9.882 8.801 -7.466 421 1HG ARG 50 1HG ARG 50 -8.468 8.911 -9.455 422 2HG ARG 50 2HG ARG 50 -10.140 9.197 -9.912 423 1HD ARG 50 1HD ARG 50 -9.750 11.381 -10.498 424 2HD ARG 50 2HD ARG 50 -8.578 11.618 -9.186 425 HE ARG 50 HE ARG 50 -7.067 10.056 -10.623 426 1HH1 ARG 50 1HH1 ARG 50 -7.888 13.067 -11.418 427 2HH1 ARG 50 2HH1 ARG 50 -7.829 12.890 -13.140 428 1HH2 ARG 50 1HH2 ARG 50 -7.674 9.426 -13.042 429 2HH2 ARG 50 2HH2 ARG 50 -7.707 10.828 -14.060 430 H ILE 51 H ILE 51 -10.850 10.177 -5.274 431 HA ILE 51 HA ILE 51 -13.380 8.590 -5.305 432 HB ILE 51 HB ILE 51 -12.530 7.857 -3.066 433 1HG1 ILE 51 1HG1 ILE 51 -9.896 9.130 -3.598 434 2HG1 ILE 51 2HG1 ILE 51 -11.170 10.195 -3.011 435 1HG2 ILE 51 1HG2 ILE 51 -11.510 7.257 -5.620 436 2HG2 ILE 51 2HG2 ILE 51 -11.380 6.266 -4.169 437 3HG2 ILE 51 3HG2 ILE 51 -10.100 7.408 -4.579 438 1HD1 ILE 51 1HD1 ILE 51 -9.880 9.218 -1.138 439 2HD1 ILE 51 2HD1 ILE 51 -10.310 7.603 -1.691 440 3HD1 ILE 51 3HD1 ILE 51 -11.560 8.702 -1.099 441 H GLY 52 H GLY 52 -15.120 9.149 -3.955 442 1HA GLY 52 1HA GLY 52 -14.950 11.860 -2.697 443 2HA GLY 52 2HA GLY 52 -16.420 11.239 -3.458 444 H ALA 53 H ALA 53 -16.400 8.618 -2.445 445 HA ALA 53 HA ALA 53 -16.370 8.917 0.521 446 1HB ALA 53 1HB ALA 53 -18.600 9.413 0.301 447 2HB ALA 53 2HB ALA 53 -18.760 7.668 0.110 448 3HB ALA 53 3HB ALA 53 -18.690 8.708 -1.313 449 1H MET 1 1H MET 1 4.441 -12.104 -22.451 450 2H MET 1 2H MET 1 4.088 -10.790 -21.434 451 3H MET 1 3H MET 1 2.905 -11.388 -22.494 452 HA MET 1 HA MET 1 3.162 -13.592 -21.218 453 1HB MET 1 1HB MET 1 4.721 -11.534 -19.695 454 2HB MET 1 2HB MET 1 3.861 -12.773 -18.781 455 1HG MET 1 1HG MET 1 5.015 -14.540 -19.986 456 2HG MET 1 2HG MET 1 5.781 -13.363 -21.051 457 1HE MET 1 1HE MET 1 6.250 -15.683 -18.802 458 2HE MET 1 2HE MET 1 5.907 -14.905 -17.259 459 3HE MET 1 3HE MET 1 7.571 -15.275 -17.700 460 H LYS 2 H LYS 2 2.636 -10.427 -19.600 461 HA LYS 2 HA LYS 2 0.683 -9.546 -18.595 462 1HB LYS 2 1HB LYS 2 -0.110 -10.964 -21.109 463 2HB LYS 2 2HB LYS 2 -1.398 -10.386 -20.052 464 1HG LYS 2 1HG LYS 2 0.838 -8.499 -20.635 465 2HG LYS 2 2HG LYS 2 -0.311 -8.820 -21.936 466 1HD LYS 2 1HD LYS 2 -2.171 -8.306 -20.309 467 2HD LYS 2 2HD LYS 2 -0.938 -7.782 -19.160 468 1HE LYS 2 1HE LYS 2 -0.302 -5.941 -20.488 469 2HE LYS 2 2HE LYS 2 -1.025 -6.634 -21.954 470 1HZ LYS 2 1HZ LYS 2 -2.532 -5.816 -19.525 471 2HZ LYS 2 2HZ LYS 2 -3.202 -6.445 -20.956 472 3HZ LYS 2 3HZ LYS 2 -2.452 -4.921 -20.962 473 H GLY 3 H GLY 3 0.738 -10.681 -16.582 474 1HA GLY 3 1HA GLY 3 -0.236 -13.405 -16.335 475 2HA GLY 3 2HA GLY 3 0.118 -12.310 -14.998 476 H MET 4 H MET 4 -1.605 -10.191 -15.594 477 HA MET 4 HA MET 4 -3.848 -9.539 -15.235 478 1HB MET 4 1HB MET 4 -3.657 -11.066 -17.491 479 2HB MET 4 2HB MET 4 -4.854 -11.983 -16.574 480 1HG MET 4 1HG MET 4 -5.965 -9.650 -16.172 481 2HG MET 4 2HG MET 4 -5.006 -9.147 -17.564 482 1HE MET 4 1HE MET 4 -8.382 -9.299 -17.326 483 2HE MET 4 2HE MET 4 -8.514 -9.498 -19.072 484 3HE MET 4 3HE MET 4 -7.273 -8.441 -18.405 485 H SER 5 H SER 5 -2.476 -11.662 -13.430 486 HA SER 5 HA SER 5 -4.441 -13.510 -12.487 487 1HB SER 5 1HB SER 5 -1.900 -12.269 -11.552 488 2HB SER 5 2HB SER 5 -2.897 -13.042 -10.324 489 HG SER 5 HG SER 5 -1.792 -14.715 -11.080 490 H LYS 6 H LYS 6 -5.134 -13.221 -9.987 491 HA LYS 6 HA LYS 6 -7.016 -11.007 -9.925 492 1HB LYS 6 1HB LYS 6 -6.117 -13.051 -7.865 493 2HB LYS 6 2HB LYS 6 -7.523 -12.003 -7.685 494 1HG LYS 6 1HG LYS 6 -8.285 -12.967 -9.966 495 2HG LYS 6 2HG LYS 6 -7.091 -14.232 -9.669 496 1HD LYS 6 1HD LYS 6 -8.179 -14.898 -7.634 497 2HD LYS 6 2HD LYS 6 -9.236 -13.487 -7.669 498 1HE LYS 6 1HE LYS 6 -10.700 -14.987 -8.623 499 2HE LYS 6 2HE LYS 6 -9.812 -14.577 -10.101 500 1HZ LYS 6 1HZ LYS 6 -9.711 -16.918 -9.906 501 2HZ LYS 6 2HZ LYS 6 -9.324 -16.846 -8.253 502 3HZ LYS 6 3HZ LYS 6 -8.189 -16.350 -9.418 503 H MET 7 H MET 7 -6.905 -10.205 -7.234 504 HA MET 7 HA MET 7 -4.619 -8.334 -7.322 505 1HB MET 7 1HB MET 7 -5.884 -7.243 -5.508 506 2HB MET 7 2HB MET 7 -6.954 -7.620 -6.856 507 1HG MET 7 1HG MET 7 -6.941 -9.918 -5.215 508 2HG MET 7 2HG MET 7 -7.085 -8.545 -4.120 509 1HE MET 7 1HE MET 7 -9.493 -7.800 -3.441 510 2HE MET 7 2HE MET 7 -10.290 -6.899 -4.726 511 3HE MET 7 3HE MET 7 -8.576 -6.645 -4.418 512 HA PRO 8 HA PRO 8 -2.205 -10.398 -4.282 513 1HB PRO 8 1HB PRO 8 -1.246 -8.328 -2.768 514 2HB PRO 8 2HB PRO 8 -0.671 -8.678 -4.410 515 1HG PRO 8 1HG PRO 8 -2.607 -6.618 -3.481 516 2HG PRO 8 2HG PRO 8 -1.364 -6.516 -4.736 517 1HD PRO 8 1HD PRO 8 -4.010 -6.860 -5.270 518 2HD PRO 8 2HD PRO 8 -2.709 -7.435 -6.334 519 H GLN 9 H GLN 9 -2.378 -11.230 -2.150 520 HA GLN 9 HA GLN 9 -4.893 -11.034 -0.824 521 1HB GLN 9 1HB GLN 9 -2.211 -12.217 -0.390 522 2HB GLN 9 2HB GLN 9 -3.179 -11.994 1.067 523 1HG GLN 9 1HG GLN 9 -4.211 -13.927 0.515 524 2HG GLN 9 2HG GLN 9 -5.001 -13.011 -0.769 525 1HE2 GLN 9 1HE2 GLN 9 -3.958 -13.065 -2.946 526 2HE2 GLN 9 2HE2 GLN 9 -2.941 -14.358 -3.360 527 H PHE 10 H PHE 10 -2.073 -9.002 -0.638 528 HA PHE 10 HA PHE 10 -2.473 -7.958 2.023 529 1HB PHE 10 1HB PHE 10 -0.378 -7.801 0.723 530 2HB PHE 10 2HB PHE 10 -1.185 -6.764 -0.454 531 HD1 PHE 10 HD1 PHE 10 -1.493 -4.424 -0.054 532 HD2 PHE 10 HD2 PHE 10 -0.158 -7.021 3.128 533 HE1 PHE 10 HE1 PHE 10 -1.010 -2.433 1.367 534 HE2 PHE 10 HE2 PHE 10 0.321 -5.028 4.550 535 HZ PHE 10 HZ PHE 10 -0.104 -2.736 3.671 536 H LEU 11 H LEU 11 -3.784 -7.129 -1.155 537 HA LEU 11 HA LEU 11 -5.128 -4.714 -0.085 538 1HB LEU 11 1HB LEU 11 -5.047 -6.057 -2.807 539 2HB LEU 11 2HB LEU 11 -5.805 -4.498 -2.479 540 HG LEU 11 HG LEU 11 -2.884 -5.128 -1.965 541 1HD1 LEU 11 1HD1 LEU 11 -4.051 -4.805 -4.425 542 2HD1 LEU 11 2HD1 LEU 11 -2.378 -4.386 -4.053 543 3HD1 LEU 11 3HD1 LEU 11 -3.627 -3.143 -4.015 544 1HD2 LEU 11 1HD2 LEU 11 -2.996 -2.466 -2.013 545 2HD2 LEU 11 2HD2 LEU 11 -3.349 -3.361 -0.535 546 3HD2 LEU 11 3HD2 LEU 11 -4.669 -2.762 -1.538 547 H ASN 12 H ASN 12 -5.817 -7.705 0.570 548 HA ASN 12 HA ASN 12 -8.449 -8.173 -0.542 549 1HB ASN 12 1HB ASN 12 -6.589 -9.663 0.696 550 2HB ASN 12 2HB ASN 12 -7.604 -9.298 2.092 551 1HD2 ASN 12 1HD2 ASN 12 -7.321 -11.308 -0.690 552 2HD2 ASN 12 2HD2 ASN 12 -8.869 -12.001 -0.622 553 H ARG 13 H ARG 13 -7.232 -6.356 2.200 554 HA ARG 13 HA ARG 13 -9.850 -6.159 3.517 555 1HB ARG 13 1HB ARG 13 -7.128 -5.822 4.160 556 2HB ARG 13 2HB ARG 13 -7.851 -4.221 4.327 557 1HG ARG 13 1HG ARG 13 -8.182 -5.213 6.446 558 2HG ARG 13 2HG ARG 13 -9.733 -5.425 5.632 559 1HD ARG 13 1HD ARG 13 -9.548 -7.683 5.723 560 2HD ARG 13 2HD ARG 13 -7.908 -7.631 5.046 561 HE ARG 13 HE ARG 13 -7.710 -6.648 7.680 562 1HH1 ARG 13 1HH1 ARG 13 -9.763 -9.149 7.224 563 2HH1 ARG 13 2HH1 ARG 13 -8.799 -10.368 7.987 564 1HH2 ARG 13 1HH2 ARG 13 -5.960 -8.385 8.165 565 2HH2 ARG 13 2HH2 ARG 13 -6.645 -9.935 8.520 566 H TRP 14 H TRP 14 -8.185 -4.505 1.001 567 HA TRP 14 HA TRP 14 -9.337 -1.871 1.336 568 1HB TRP 14 1HB TRP 14 -8.031 -3.427 -0.896 569 2HB TRP 14 2HB TRP 14 -8.560 -1.763 -1.094 570 HD1 TRP 14 HD1 TRP 14 -7.053 -3.003 2.214 571 HE1 TRP 14 HE1 TRP 14 -4.812 -1.790 2.590 572 HE3 TRP 14 HE3 TRP 14 -6.650 -0.589 -2.241 573 HZ2 TRP 14 HZ2 TRP 14 -3.051 -0.008 1.165 574 HZ3 TRP 14 HZ3 TRP 14 -4.675 0.864 -2.738 575 HH2 TRP 14 HH2 TRP 14 -2.884 1.153 -1.036 576 HA PRO 15 HA PRO 15 -13.340 -2.836 -0.269 577 1HB PRO 15 1HB PRO 15 -14.140 -0.339 -1.026 578 2HB PRO 15 2HB PRO 15 -14.090 -0.875 0.662 579 1HG PRO 15 1HG PRO 15 -12.190 0.839 -0.842 580 2HG PRO 15 2HG PRO 15 -12.700 0.931 0.850 581 1HD PRO 15 1HD PRO 15 -10.300 -0.121 0.008 582 2HD PRO 15 2HD PRO 15 -11.100 -0.546 1.538 583 H ARG 16 H ARG 16 -14.610 -2.626 -2.297 584 HA ARG 16 HA ARG 16 -13.050 -3.208 -4.630 585 1HB ARG 16 1HB ARG 16 -15.710 -3.322 -3.669 586 2HB ARG 16 2HB ARG 16 -15.770 -2.352 -5.136 587 1HG ARG 16 1HG ARG 16 -14.070 -4.350 -5.864 588 2HG ARG 16 2HG ARG 16 -15.170 -5.196 -4.781 589 1HD ARG 16 1HD ARG 16 -16.830 -5.160 -6.342 590 2HD ARG 16 2HD ARG 16 -16.630 -3.412 -6.572 591 HE ARG 16 HE ARG 16 -14.480 -4.207 -7.907 592 1HH1 ARG 16 1HH1 ARG 16 -17.720 -4.589 -8.524 593 2HH1 ARG 16 2HH1 ARG 16 -17.540 -5.817 -9.734 594 1HH2 ARG 16 1HH2 ARG 16 -14.160 -6.288 -9.132 595 2HH2 ARG 16 2HH2 ARG 16 -15.530 -6.778 -10.078 596 H GLU 17 H GLU 17 -14.780 -0.373 -3.505 597 HA GLU 17 HA GLU 17 -14.650 1.243 -5.833 598 1HB GLU 17 1HB GLU 17 -14.770 1.755 -2.864 599 2HB GLU 17 2HB GLU 17 -14.780 3.093 -4.015 600 1HG GLU 17 1HG GLU 17 -16.790 2.313 -5.055 601 2HG GLU 17 2HG GLU 17 -16.700 0.765 -4.213 602 H VAL 18 H VAL 18 -12.210 0.757 -3.273 603 HA VAL 18 HA VAL 18 -10.480 2.882 -4.327 604 HB VAL 18 HB VAL 18 -10.130 0.699 -2.245 605 1HG1 VAL 18 1HG1 VAL 18 -8.312 2.858 -3.252 606 2HG1 VAL 18 2HG1 VAL 18 -7.922 1.221 -2.719 607 3HG1 VAL 18 3HG1 VAL 18 -8.290 2.469 -1.531 608 1HG2 VAL 18 1HG2 VAL 18 -10.320 3.626 -1.651 609 2HG2 VAL 18 2HG2 VAL 18 -10.850 2.252 -0.683 610 3HG2 VAL 18 3HG2 VAL 18 -11.800 2.773 -2.072 611 H LEU 19 H LEU 19 -10.390 -0.696 -4.262 612 HA LEU 19 HA LEU 19 -7.903 -0.980 -5.641 613 1HB LEU 19 1HB LEU 19 -10.350 -2.741 -5.401 614 2HB LEU 19 2HB LEU 19 -8.802 -3.298 -6.014 615 HG LEU 19 HG LEU 19 -9.076 -1.960 -3.319 616 1HD1 LEU 19 1HD1 LEU 19 -8.846 -4.434 -2.519 617 2HD1 LEU 19 2HD1 LEU 19 -9.489 -4.835 -4.112 618 3HD1 LEU 19 3HD1 LEU 19 -10.430 -3.845 -3.002 619 1HD2 LEU 19 1HD2 LEU 19 -6.860 -2.390 -4.742 620 2HD2 LEU 19 2HD2 LEU 19 -7.021 -4.006 -4.052 621 3HD2 LEU 19 3HD2 LEU 19 -6.878 -2.604 -2.991 622 H ASP 20 H ASP 20 -11.150 -0.389 -6.787 623 HA ASP 20 HA ASP 20 -10.750 -1.166 -9.540 624 1HB ASP 20 1HB ASP 20 -12.930 -0.876 -8.360 625 2HB ASP 20 2HB ASP 20 -12.640 0.862 -8.302 626 H LEU 21 H LEU 21 -9.921 1.646 -7.661 627 HA LEU 21 HA LEU 21 -9.445 3.360 -10.017 628 1HB LEU 21 1HB LEU 21 -10.400 4.248 -7.933 629 2HB LEU 21 2HB LEU 21 -9.000 3.670 -7.029 630 HG LEU 21 HG LEU 21 -7.714 5.138 -8.878 631 1HD1 LEU 21 1HD1 LEU 21 -10.220 5.713 -9.635 632 2HD1 LEU 21 2HD1 LEU 21 -8.915 6.889 -9.751 633 3HD1 LEU 21 3HD1 LEU 21 -10.020 6.942 -8.386 634 1HD2 LEU 21 1HD2 LEU 21 -8.973 5.908 -6.254 635 2HD2 LEU 21 2HD2 LEU 21 -8.008 7.076 -7.154 636 3HD2 LEU 21 3HD2 LEU 21 -7.281 5.566 -6.610 637 H VAL 22 H VAL 22 -7.571 1.716 -7.466 638 HA VAL 22 HA VAL 22 -4.978 2.601 -8.032 639 HB VAL 22 HB VAL 22 -5.922 -0.198 -7.333 640 1HG1 VAL 22 1HG1 VAL 22 -3.320 1.245 -6.740 641 2HG1 VAL 22 2HG1 VAL 22 -3.526 -0.040 -7.929 642 3HG1 VAL 22 3HG1 VAL 22 -3.740 -0.385 -6.212 643 1HG2 VAL 22 1HG2 VAL 22 -6.730 0.740 -5.446 644 2HG2 VAL 22 2HG2 VAL 22 -6.130 2.326 -5.930 645 3HG2 VAL 22 3HG2 VAL 22 -5.082 1.222 -5.040 646 H ARG 23 H ARG 23 -6.714 -0.132 -9.546 647 HA ARG 23 HA ARG 23 -4.678 -1.092 -11.240 648 1HB ARG 23 1HB ARG 23 -7.637 -0.839 -11.868 649 2HB ARG 23 2HB ARG 23 -6.525 -2.045 -12.512 650 1HG ARG 23 1HG ARG 23 -6.348 -2.119 -9.659 651 2HG ARG 23 2HG ARG 23 -8.055 -2.169 -10.102 652 1HD ARG 23 1HD ARG 23 -5.873 -4.030 -11.114 653 2HD ARG 23 2HD ARG 23 -7.237 -4.457 -10.062 654 HE ARG 23 HE ARG 23 -8.529 -3.365 -12.199 655 1HH1 ARG 23 1HH1 ARG 23 -8.611 -6.300 -11.882 656 2HH1 ARG 23 2HH1 ARG 23 -7.875 -6.869 -13.343 657 1HH2 ARG 23 1HH2 ARG 23 -6.432 -3.813 -14.118 658 2HH2 ARG 23 2HH2 ARG 23 -6.640 -5.461 -14.609 659 H LYS 24 H LYS 24 -7.267 1.206 -12.208 660 HA LYS 24 HA LYS 24 -6.300 1.840 -14.773 661 1HB LYS 24 1HB LYS 24 -8.121 2.905 -12.750 662 2HB LYS 24 2HB LYS 24 -7.415 4.182 -13.743 663 1HG LYS 24 1HG LYS 24 -8.625 1.680 -14.937 664 2HG LYS 24 2HG LYS 24 -9.568 3.141 -14.640 665 1HD LYS 24 1HD LYS 24 -8.370 4.394 -16.216 666 2HD LYS 24 2HD LYS 24 -6.981 3.308 -16.164 667 1HE LYS 24 1HE LYS 24 -8.798 1.549 -17.055 668 2HE LYS 24 2HE LYS 24 -9.537 3.033 -17.686 669 1HZ LYS 24 1HZ LYS 24 -7.649 3.572 -18.884 670 2HZ LYS 24 2HZ LYS 24 -7.709 1.886 -19.072 671 3HZ LYS 24 3HZ LYS 24 -6.634 2.580 -17.955 672 H VAL 25 H VAL 25 -5.045 2.832 -11.667 673 HA VAL 25 HA VAL 25 -3.559 5.132 -12.718 674 HB VAL 25 HB VAL 25 -3.466 3.608 -10.095 675 1HG1 VAL 25 1HG1 VAL 25 -1.515 5.216 -10.878 676 2HG1 VAL 25 2HG1 VAL 25 -2.130 5.295 -9.227 677 3HG1 VAL 25 3HG1 VAL 25 -2.663 6.475 -10.425 678 1HG2 VAL 25 1HG2 VAL 25 -5.194 4.934 -9.355 679 2HG2 VAL 25 2HG2 VAL 25 -5.599 4.938 -11.072 680 3HG2 VAL 25 3HG2 VAL 25 -4.720 6.295 -10.371 681 H ALA 26 H ALA 26 -2.801 1.775 -11.778 682 HA ALA 26 HA ALA 26 0.048 1.979 -12.062 683 1HB ALA 26 1HB ALA 26 -0.170 -0.522 -12.196 684 2HB ALA 26 2HB ALA 26 -1.917 -0.319 -12.321 685 3HB ALA 26 3HB ALA 26 -1.073 0.183 -10.857 686 H GLU 27 H GLU 27 -2.567 1.343 -14.355 687 HA GLU 27 HA GLU 27 -0.732 0.634 -16.533 688 1HB GLU 27 1HB GLU 27 -3.705 1.227 -16.385 689 2HB GLU 27 2HB GLU 27 -2.883 0.577 -17.805 690 1HG GLU 27 1HG GLU 27 -2.448 -0.839 -15.217 691 2HG GLU 27 2HG GLU 27 -4.029 -1.019 -15.980 692 H GLU 28 H GLU 28 -1.824 3.559 -15.130 693 HA GLU 28 HA GLU 28 -1.750 5.113 -17.644 694 1HB GLU 28 1HB GLU 28 -2.321 5.592 -14.731 695 2HB GLU 28 2HB GLU 28 -2.018 6.968 -15.792 696 1HG GLU 28 1HG GLU 28 -4.048 4.815 -16.431 697 2HG GLU 28 2HG GLU 28 -4.460 6.298 -15.568 698 H ASN 29 H ASN 29 0.058 5.124 -14.539 699 HA ASN 29 HA ASN 29 2.109 6.927 -15.396 700 1HB ASN 29 1HB ASN 29 1.627 4.938 -13.224 701 2HB ASN 29 2HB ASN 29 3.294 5.465 -13.464 702 1HD2 ASN 29 1HD2 ASN 29 -0.016 6.750 -12.912 703 2HD2 ASN 29 2HD2 ASN 29 0.502 8.188 -12.172 704 H GLY 30 H GLY 30 1.743 3.421 -15.695 705 1HA GLY 30 1HA GLY 30 2.844 2.266 -17.568 706 2HA GLY 30 2HA GLY 30 4.187 3.399 -17.411 707 H ARG 31 H ARG 31 2.633 1.910 -14.636 708 HA ARG 31 HA ARG 31 5.033 0.150 -14.260 709 1HB ARG 31 1HB ARG 31 3.651 1.841 -12.152 710 2HB ARG 31 2HB ARG 31 5.130 0.903 -11.947 711 1HG ARG 31 1HG ARG 31 6.165 2.335 -13.768 712 2HG ARG 31 2HG ARG 31 4.736 3.366 -13.662 713 1HD ARG 31 1HD ARG 31 5.254 3.438 -11.104 714 2HD ARG 31 2HD ARG 31 6.875 2.899 -11.588 715 HE ARG 31 HE ARG 31 5.876 5.107 -13.215 716 1HH1 ARG 31 1HH1 ARG 31 8.757 4.743 -12.586 717 2HH1 ARG 31 2HH1 ARG 31 9.047 5.985 -11.414 718 1HH2 ARG 31 1HH2 ARG 31 5.684 6.476 -10.716 719 2HH2 ARG 31 2HH2 ARG 31 7.306 6.965 -10.353 720 H SER 32 H SER 32 4.117 -0.755 -11.697 721 HA SER 32 HA SER 32 1.783 -2.424 -12.535 722 1HB SER 32 1HB SER 32 4.154 -2.765 -10.706 723 2HB SER 32 2HB SER 32 2.744 -3.807 -10.536 724 HG SER 32 HG SER 32 4.374 -4.626 -11.978 725 H VAL 33 H VAL 33 0.473 -3.134 -10.462 726 HA VAL 33 HA VAL 33 -0.574 -0.725 -9.227 727 HB VAL 33 HB VAL 33 -1.066 -3.693 -8.852 728 1HG1 VAL 33 1HG1 VAL 33 -1.913 -1.537 -7.256 729 2HG1 VAL 33 2HG1 VAL 33 -2.552 -3.180 -7.250 730 3HG1 VAL 33 3HG1 VAL 33 -3.295 -1.948 -8.269 731 1HG2 VAL 33 1HG2 VAL 33 -2.746 -3.464 -10.492 732 2HG2 VAL 33 2HG2 VAL 33 -1.425 -2.482 -11.130 733 3HG2 VAL 33 3HG2 VAL 33 -2.792 -1.708 -10.327 734 H ASN 34 H ASN 34 1.767 -3.164 -8.351 735 HA ASN 34 HA ASN 34 1.701 -2.630 -5.466 736 1HB ASN 34 1HB ASN 34 2.451 -4.744 -6.748 737 2HB ASN 34 2HB ASN 34 3.928 -3.853 -7.122 738 1HD2 ASN 34 1HD2 ASN 34 5.549 -4.445 -5.687 739 2HD2 ASN 34 2HD2 ASN 34 5.328 -4.737 -4.028 740 H SER 35 H SER 35 3.359 -1.383 -8.300 741 HA SER 35 HA SER 35 5.301 0.161 -6.710 742 1HB SER 35 1HB SER 35 4.775 -0.587 -9.512 743 2HB SER 35 2HB SER 35 5.368 1.062 -9.326 744 HG SER 35 HG SER 35 7.125 -0.306 -9.461 745 H GLU 36 H GLU 36 2.173 0.598 -8.272 746 HA GLU 36 HA GLU 36 2.185 3.488 -8.273 747 1HB GLU 36 1HB GLU 36 0.795 1.802 -9.619 748 2HB GLU 36 2HB GLU 36 -0.160 1.576 -8.152 749 1HG GLU 36 1HG GLU 36 -1.185 3.252 -9.611 750 2HG GLU 36 2HG GLU 36 -0.649 3.980 -8.100 751 H ILE 37 H ILE 37 0.941 0.962 -6.081 752 HA ILE 37 HA ILE 37 -0.226 2.760 -4.149 753 HB ILE 37 HB ILE 37 0.860 -0.074 -4.018 754 1HG1 ILE 37 1HG1 ILE 37 -1.058 0.423 -5.594 755 2HG1 ILE 37 2HG1 ILE 37 -1.427 -0.764 -4.346 756 1HG2 ILE 37 1HG2 ILE 37 -0.011 1.661 -1.895 757 2HG2 ILE 37 2HG2 ILE 37 0.534 -0.013 -1.795 758 3HG2 ILE 37 3HG2 ILE 37 -1.170 0.345 -2.079 759 1HD1 ILE 37 1HD1 ILE 37 -3.147 1.146 -4.796 760 2HD1 ILE 37 2HD1 ILE 37 -2.025 2.155 -3.887 761 3HD1 ILE 37 3HD1 ILE 37 -2.755 0.742 -3.126 762 H TYR 38 H TYR 38 2.991 1.463 -4.708 763 HA TYR 38 HA TYR 38 4.212 2.110 -2.207 764 1HB TYR 38 1HB TYR 38 5.147 0.606 -3.904 765 2HB TYR 38 2HB TYR 38 5.254 1.937 -5.056 766 HD1 TYR 38 HD1 TYR 38 7.448 2.615 -5.390 767 HD2 TYR 38 HD2 TYR 38 6.150 1.525 -1.429 768 HE1 TYR 38 HE1 TYR 38 9.700 3.212 -4.494 769 HE2 TYR 38 HE2 TYR 38 8.399 2.119 -0.523 770 HH TYR 38 HH TYR 38 10.365 3.876 -1.489 771 H GLN 39 H GLN 39 3.683 3.980 -5.185 772 HA GLN 39 HA GLN 39 5.229 6.289 -4.336 773 1HB GLN 39 1HB GLN 39 3.056 5.856 -6.413 774 2HB GLN 39 2HB GLN 39 4.052 7.307 -6.305 775 1HG GLN 39 1HG GLN 39 5.305 4.572 -6.506 776 2HG GLN 39 2HG GLN 39 4.812 5.462 -7.949 777 1HE2 GLN 39 1HE2 GLN 39 7.573 4.909 -7.455 778 2HE2 GLN 39 2HE2 GLN 39 8.362 6.374 -7.121 779 H ARG 40 H ARG 40 1.745 5.491 -4.387 780 HA ARG 40 HA ARG 40 0.766 7.960 -3.340 781 1HB ARG 40 1HB ARG 40 -0.294 5.146 -2.900 782 2HB ARG 40 2HB ARG 40 -1.233 6.637 -2.882 783 1HG ARG 40 1HG ARG 40 0.248 6.458 -5.352 784 2HG ARG 40 2HG ARG 40 -0.686 4.982 -5.111 785 1HD ARG 40 1HD ARG 40 -2.742 6.249 -4.851 786 2HD ARG 40 2HD ARG 40 -1.846 7.781 -4.877 787 HE ARG 40 HE ARG 40 -2.099 5.926 -7.208 788 1HH1 ARG 40 1HH1 ARG 40 -3.387 8.659 -7.150 789 2HH1 ARG 40 2HH1 ARG 40 -2.247 9.602 -8.051 790 1HH2 ARG 40 1HH2 ARG 40 0.299 7.262 -7.785 791 2HH2 ARG 40 2HH2 ARG 40 -0.159 8.811 -8.410 792 H VAL 41 H VAL 41 2.344 5.228 -1.853 793 HA VAL 41 HA VAL 41 1.648 6.014 0.905 794 HB VAL 41 HB VAL 41 3.349 3.882 -0.420 795 1HG1 VAL 41 1HG1 VAL 41 2.741 3.152 2.245 796 2HG1 VAL 41 2HG1 VAL 41 3.401 4.785 2.319 797 3HG1 VAL 41 3HG1 VAL 41 4.331 3.489 1.564 798 1HG2 VAL 41 1HG2 VAL 41 0.610 4.140 -0.121 799 2HG2 VAL 41 2HG2 VAL 41 1.062 3.110 1.236 800 3HG2 VAL 41 3HG2 VAL 41 1.469 2.628 -0.410 801 H MET 42 H MET 42 4.231 6.408 -1.412 802 HA MET 42 HA MET 42 6.288 7.178 0.502 803 1HB MET 42 1HB MET 42 5.923 6.667 -2.324 804 2HB MET 42 2HB MET 42 6.838 8.155 -2.093 805 1HG MET 42 1HG MET 42 8.365 6.937 -0.542 806 2HG MET 42 2HG MET 42 7.483 5.450 -0.888 807 1HE MET 42 1HE MET 42 9.529 8.241 -1.845 808 2HE MET 42 2HE MET 42 10.304 7.907 -3.393 809 3HE MET 42 3HE MET 42 10.842 7.062 -1.943 810 H GLU 43 H GLU 43 3.729 8.825 -1.247 811 HA GLU 43 HA GLU 43 4.862 11.508 -0.849 812 1HB GLU 43 1HB GLU 43 2.330 10.297 -1.951 813 2HB GLU 43 2HB GLU 43 2.446 12.038 -1.696 814 1HG GLU 43 1HG GLU 43 4.729 11.775 -2.987 815 2HG GLU 43 2HG GLU 43 3.982 10.298 -3.595 816 H SER 44 H SER 44 2.604 9.374 0.801 817 HA SER 44 HA SER 44 1.290 11.349 2.425 818 1HB SER 44 1HB SER 44 0.687 9.334 3.757 819 2HB SER 44 2HB SER 44 0.456 9.077 2.031 820 HG SER 44 HG SER 44 2.498 8.136 3.737 821 H PHE 45 H PHE 45 4.076 9.187 3.122 822 HA PHE 45 HA PHE 45 4.583 10.156 5.759 823 1HB PHE 45 1HB PHE 45 6.252 8.861 3.590 824 2HB PHE 45 2HB PHE 45 6.888 9.175 5.205 825 HD1 PHE 45 HD1 PHE 45 5.810 6.560 3.382 826 HD2 PHE 45 HD2 PHE 45 4.696 8.621 7.009 827 HE1 PHE 45 HE1 PHE 45 4.721 4.483 4.228 828 HE2 PHE 45 HE2 PHE 45 3.607 6.545 7.854 829 HZ PHE 45 HZ PHE 45 3.620 4.476 6.466 830 H LYS 46 H LYS 46 5.298 11.498 2.612 831 HA LYS 46 HA LYS 46 7.464 13.245 3.440 832 1HB LYS 46 1HB LYS 46 7.043 12.470 1.124 833 2HB LYS 46 2HB LYS 46 5.522 13.363 1.109 834 1HG LYS 46 1HG LYS 46 7.023 14.844 0.062 835 2HG LYS 46 2HG LYS 46 6.975 15.424 1.727 836 1HD LYS 46 1HD LYS 46 9.232 15.241 1.680 837 2HD LYS 46 2HD LYS 46 8.961 13.504 1.815 838 1HE LYS 46 1HE LYS 46 8.687 13.639 -0.813 839 2HE LYS 46 2HE LYS 46 9.642 15.123 -0.620 840 1HZ LYS 46 1HZ LYS 46 11.154 13.775 0.835 841 2HZ LYS 46 2HZ LYS 46 11.188 13.359 -0.813 842 3HZ LYS 46 3HZ LYS 46 10.340 12.388 0.293 843 H LYS 47 H LYS 47 3.963 13.448 3.517 844 HA LYS 47 HA LYS 47 3.553 16.242 3.613 845 1HB LYS 47 1HB LYS 47 2.232 13.794 4.734 846 2HB LYS 47 2HB LYS 47 1.638 15.375 5.239 847 1HG LYS 47 1HG LYS 47 2.061 14.741 2.323 848 2HG LYS 47 2HG LYS 47 0.563 14.294 3.140 849 1HD LYS 47 1HD LYS 47 -0.111 16.477 3.402 850 2HD LYS 47 2HD LYS 47 1.541 17.082 3.538 851 1HE LYS 47 1HE LYS 47 0.787 15.913 0.901 852 2HE LYS 47 2HE LYS 47 0.061 17.478 1.316 853 1HZ LYS 47 1HZ LYS 47 2.175 17.917 0.343 854 2HZ LYS 47 2HZ LYS 47 2.945 16.773 1.335 855 3HZ LYS 47 3HZ LYS 47 2.325 18.205 2.009 856 H GLU 48 H GLU 48 4.973 14.102 5.985 857 HA GLU 48 HA GLU 48 4.916 16.285 8.033 858 1HB GLU 48 1HB GLU 48 5.397 13.291 8.175 859 2HB GLU 48 2HB GLU 48 5.469 14.371 9.569 860 1HG GLU 48 1HG GLU 48 3.193 14.685 9.619 861 2HG GLU 48 2HG GLU 48 3.030 14.536 7.869 862 H GLY 49 H GLY 49 7.066 14.035 6.309 863 1HA GLY 49 1HA GLY 49 9.294 14.914 5.631 864 2HA GLY 49 2HA GLY 49 9.368 15.727 7.195 865 H ARG 50 H ARG 50 8.171 12.438 6.790 866 HA ARG 50 HA ARG 50 10.029 11.442 8.797 867 1HB ARG 50 1HB ARG 50 7.630 10.655 7.376 868 2HB ARG 50 2HB ARG 50 8.783 9.321 7.411 869 1HG ARG 50 1HG ARG 50 7.374 9.224 9.404 870 2HG ARG 50 2HG ARG 50 9.024 9.639 9.871 871 1HD ARG 50 1HD ARG 50 8.436 11.752 10.546 872 2HD ARG 50 2HD ARG 50 7.237 11.938 9.248 873 HE ARG 50 HE ARG 50 5.883 10.189 10.620 874 1HH1 ARG 50 1HH1 ARG 50 6.440 13.226 11.542 875 2HH1 ARG 50 2HH1 ARG 50 6.404 12.971 13.255 876 1HH2 ARG 50 1HH2 ARG 50 6.553 9.515 13.010 877 2HH2 ARG 50 2HH2 ARG 50 6.468 10.870 14.085 878 H ILE 51 H ILE 51 9.622 10.866 5.281 879 HA ILE 51 HA ILE 51 12.277 9.506 5.246 880 HB ILE 51 HB ILE 51 11.489 8.794 2.981 881 1HG1 ILE 51 1HG1 ILE 51 8.753 9.806 3.563 882 2HG1 ILE 51 2HG1 ILE 51 9.929 11.003 3.021 883 1HG2 ILE 51 1HG2 ILE 51 10.539 8.007 5.510 884 2HG2 ILE 51 2HG2 ILE 51 10.492 7.063 4.020 885 3HG2 ILE 51 3HG2 ILE 51 9.114 8.067 4.472 886 1HD1 ILE 51 1HD1 ILE 51 8.716 9.991 1.113 887 2HD1 ILE 51 2HD1 ILE 51 9.307 8.401 1.594 888 3HD1 ILE 51 3HD1 ILE 51 10.441 9.635 1.048 889 H GLY 52 H GLY 52 13.962 10.270 3.918 890 1HA GLY 52 1HA GLY 52 13.551 13.006 2.775 891 2HA GLY 52 2HA GLY 52 15.069 12.482 3.505 892 H ALA 53 H ALA 53 15.280 9.916 2.388 893 HA ALA 53 HA ALA 53 15.204 10.329 -0.564 894 1HB ALA 53 1HB ALA 53 17.380 11.010 -0.334 895 2HB ALA 53 2HB ALA 53 17.699 9.279 -0.203 896 3HB ALA 53 3HB ALA 53 17.545 10.261 1.254 Start of MODEL 4 1 1H MET 1 1H MET 1 1.037 -26.013 16.081 2 2H MET 1 2H MET 1 0.541 -25.413 14.572 3 3H MET 1 3H MET 1 -0.112 -24.767 16.002 4 HA MET 1 HA MET 1 2.073 -23.889 16.622 5 1HB MET 1 1HB MET 1 2.702 -25.719 14.423 6 2HB MET 1 2HB MET 1 3.500 -24.156 14.248 7 1HG MET 1 1HG MET 1 4.726 -24.407 16.199 8 2HG MET 1 2HG MET 1 3.529 -25.472 16.938 9 1HE MET 1 1HE MET 1 5.054 -27.194 17.802 10 2HE MET 1 2HE MET 1 6.433 -26.208 17.320 11 3HE MET 1 3HE MET 1 6.409 -27.927 16.933 12 H LYS 2 H LYS 2 2.072 -21.689 16.245 13 HA LYS 2 HA LYS 2 0.939 -20.721 13.641 14 1HB LYS 2 1HB LYS 2 0.501 -19.672 16.458 15 2HB LYS 2 2HB LYS 2 -0.178 -18.963 14.991 16 1HG LYS 2 1HG LYS 2 -1.255 -21.208 14.523 17 2HG LYS 2 2HG LYS 2 -0.746 -21.709 16.135 18 1HD LYS 2 1HD LYS 2 -1.943 -19.616 17.002 19 2HD LYS 2 2HD LYS 2 -2.664 -19.490 15.397 20 1HE LYS 2 1HE LYS 2 -2.809 -22.079 16.949 21 2HE LYS 2 2HE LYS 2 -4.010 -20.796 17.189 22 1HZ LYS 2 1HZ LYS 2 -4.554 -20.802 14.909 23 2HZ LYS 2 2HZ LYS 2 -4.533 -22.437 15.371 24 3HZ LYS 2 3HZ LYS 2 -3.227 -21.778 14.504 25 H GLY 3 H GLY 3 3.667 -20.941 13.830 26 1HA GLY 3 1HA GLY 3 4.714 -18.323 14.759 27 2HA GLY 3 2HA GLY 3 5.694 -19.702 14.256 28 H MET 4 H MET 4 4.115 -16.816 13.201 29 HA MET 4 HA MET 4 5.208 -17.275 10.451 30 1HB MET 4 1HB MET 4 2.537 -17.394 11.172 31 2HB MET 4 2HB MET 4 2.712 -15.732 10.613 32 1HG MET 4 1HG MET 4 3.824 -16.617 8.538 33 2HG MET 4 2HG MET 4 3.427 -18.247 9.083 34 1HE MET 4 1HE MET 4 0.594 -17.637 10.573 35 2HE MET 4 2HE MET 4 1.143 -19.052 9.679 36 3HE MET 4 3HE MET 4 -0.392 -18.296 9.260 37 H SER 5 H SER 5 5.880 -15.323 9.393 38 HA SER 5 HA SER 5 6.822 -13.211 11.123 39 1HB SER 5 1HB SER 5 6.503 -13.061 8.126 40 2HB SER 5 2HB SER 5 7.791 -12.393 9.125 41 HG SER 5 HG SER 5 8.034 -14.532 7.873 42 H LYS 6 H LYS 6 6.278 -10.811 10.243 43 HA LYS 6 HA LYS 6 3.290 -10.605 10.033 44 1HB LYS 6 1HB LYS 6 5.309 -9.413 11.872 45 2HB LYS 6 2HB LYS 6 3.977 -8.370 11.374 46 1HG LYS 6 1HG LYS 6 2.948 -10.979 12.024 47 2HG LYS 6 2HG LYS 6 3.933 -10.390 13.364 48 1HD LYS 6 1HD LYS 6 2.527 -8.627 13.803 49 2HD LYS 6 2HD LYS 6 2.065 -8.438 12.112 50 1HE LYS 6 1HE LYS 6 0.865 -10.740 12.422 51 2HE LYS 6 2HE LYS 6 0.974 -10.368 14.154 52 1HZ LYS 6 1HZ LYS 6 -1.055 -9.455 13.127 53 2HZ LYS 6 2HZ LYS 6 -0.095 -8.517 12.086 54 3HZ LYS 6 3HZ LYS 6 -0.053 -8.242 13.762 55 H MET 7 H MET 7 4.665 -10.572 7.666 56 HA MET 7 HA MET 7 4.429 -7.724 6.869 57 1HB MET 7 1HB MET 7 6.668 -7.485 6.634 58 2HB MET 7 2HB MET 7 6.867 -9.059 7.390 59 1HG MET 7 1HG MET 7 6.754 -10.148 5.185 60 2HG MET 7 2HG MET 7 6.507 -8.580 4.413 61 1HE MET 7 1HE MET 7 9.738 -7.485 3.468 62 2HE MET 7 2HE MET 7 7.978 -7.411 3.429 63 3HE MET 7 3HE MET 7 8.809 -8.830 2.793 64 HA PRO 8 HA PRO 8 2.276 -9.989 3.672 65 1HB PRO 8 1HB PRO 8 1.551 -7.828 2.157 66 2HB PRO 8 2HB PRO 8 0.721 -8.278 3.661 67 1HG PRO 8 1HG PRO 8 2.768 -6.170 3.188 68 2HG PRO 8 2HG PRO 8 1.327 -6.137 4.215 69 1HD PRO 8 1HD PRO 8 3.842 -6.519 5.181 70 2HD PRO 8 2HD PRO 8 2.382 -7.166 5.962 71 H GLN 9 H GLN 9 2.612 -10.427 1.370 72 HA GLN 9 HA GLN 9 5.396 -10.040 0.527 73 1HB GLN 9 1HB GLN 9 2.949 -11.516 -0.421 74 2HB GLN 9 2HB GLN 9 4.348 -11.367 -1.487 75 1HG GLN 9 1HG GLN 9 4.422 -12.478 1.334 76 2HG GLN 9 2HG GLN 9 4.439 -13.449 -0.139 77 1HE2 GLN 9 1HE2 GLN 9 6.465 -11.943 2.128 78 2HE2 GLN 9 2HE2 GLN 9 7.893 -11.928 1.210 79 H PHE 10 H PHE 10 2.337 -8.497 -0.064 80 HA PHE 10 HA PHE 10 2.693 -7.473 -2.686 81 1HB PHE 10 1HB PHE 10 0.606 -7.360 -1.435 82 2HB PHE 10 2HB PHE 10 1.359 -6.347 -0.202 83 HD1 PHE 10 HD1 PHE 10 1.199 -4.013 -0.373 84 HD2 PHE 10 HD2 PHE 10 0.738 -6.440 -3.910 85 HE1 PHE 10 HE1 PHE 10 0.643 -1.976 -1.696 86 HE2 PHE 10 HE2 PHE 10 0.182 -4.404 -5.236 87 HZ PHE 10 HZ PHE 10 0.134 -2.171 -4.129 88 H LEU 11 H LEU 11 4.223 -6.574 0.333 89 HA LEU 11 HA LEU 11 5.273 -4.051 -0.847 90 1HB LEU 11 1HB LEU 11 5.556 -5.260 1.923 91 2HB LEU 11 2HB LEU 11 5.952 -3.605 1.461 92 HG LEU 11 HG LEU 11 3.182 -4.792 1.159 93 1HD1 LEU 11 1HD1 LEU 11 4.339 -4.425 3.568 94 2HD1 LEU 11 2HD1 LEU 11 2.625 -4.124 3.278 95 3HD1 LEU 11 3HD1 LEU 11 3.769 -2.782 3.268 96 1HD2 LEU 11 1HD2 LEU 11 3.451 -1.911 1.505 97 2HD2 LEU 11 2HD2 LEU 11 2.649 -2.810 0.216 98 3HD2 LEU 11 3HD2 LEU 11 4.378 -2.486 0.118 99 H ASN 12 H ASN 12 6.194 -6.740 -1.783 100 HA ASN 12 HA ASN 12 8.806 -7.288 -0.658 101 1HB ASN 12 1HB ASN 12 6.991 -8.416 -2.479 102 2HB ASN 12 2HB ASN 12 8.429 -8.066 -3.436 103 1HD2 ASN 12 1HD2 ASN 12 7.733 -9.364 -0.129 104 2HD2 ASN 12 2HD2 ASN 12 8.875 -10.617 -0.228 105 H ARG 13 H ARG 13 7.620 -5.190 -3.243 106 HA ARG 13 HA ARG 13 10.295 -4.604 -4.282 107 1HB ARG 13 1HB ARG 13 7.858 -4.564 -5.357 108 2HB ARG 13 2HB ARG 13 7.887 -2.897 -4.780 109 1HG ARG 13 1HG ARG 13 9.930 -2.448 -6.021 110 2HG ARG 13 2HG ARG 13 10.051 -4.141 -6.500 111 1HD ARG 13 1HD ARG 13 8.373 -3.952 -8.082 112 2HD ARG 13 2HD ARG 13 7.514 -2.696 -7.170 113 HE ARG 13 HE ARG 13 9.496 -1.185 -7.795 114 1HH1 ARG 13 1HH1 ARG 13 10.147 -4.019 -9.321 115 2HH1 ARG 13 2HH1 ARG 13 10.109 -3.403 -10.939 116 1HH2 ARG 13 1HH2 ARG 13 8.762 -0.343 -10.025 117 2HH2 ARG 13 2HH2 ARG 13 9.325 -1.323 -11.338 118 H TRP 14 H TRP 14 8.192 -3.336 -1.823 119 HA TRP 14 HA TRP 14 9.193 -0.666 -1.624 120 1HB TRP 14 1HB TRP 14 7.948 -2.643 0.292 121 2HB TRP 14 2HB TRP 14 8.295 -0.979 0.736 122 HD1 TRP 14 HD1 TRP 14 7.001 -1.968 -2.753 123 HE1 TRP 14 HE1 TRP 14 4.670 -0.918 -3.073 124 HE3 TRP 14 HE3 TRP 14 6.298 -0.062 1.905 125 HZ2 TRP 14 HZ2 TRP 14 2.731 0.558 -1.528 126 HZ3 TRP 14 HZ3 TRP 14 4.198 1.164 2.486 127 HH2 TRP 14 HH2 TRP 14 2.420 1.477 0.766 128 HA PRO 15 HA PRO 15 13.213 -1.701 -0.058 129 1HB PRO 15 1HB PRO 15 13.928 0.758 0.901 130 2HB PRO 15 2HB PRO 15 13.972 0.318 -0.814 131 1HG PRO 15 1HG PRO 15 11.945 1.890 0.687 132 2HG PRO 15 2HG PRO 15 12.554 2.124 -0.957 133 1HD PRO 15 1HD PRO 15 10.142 0.972 -0.390 134 2HD PRO 15 2HD PRO 15 11.083 0.614 -1.855 135 H ARG 16 H ARG 16 14.227 -2.024 1.950 136 HA ARG 16 HA ARG 16 12.635 -2.664 4.172 137 1HB ARG 16 1HB ARG 16 15.266 -2.847 3.317 138 2HB ARG 16 2HB ARG 16 15.382 -1.839 4.757 139 1HG ARG 16 1HG ARG 16 13.856 -3.555 5.870 140 2HG ARG 16 2HG ARG 16 14.221 -4.591 4.491 141 1HD ARG 16 1HD ARG 16 16.625 -3.375 5.668 142 2HD ARG 16 2HD ARG 16 15.759 -4.448 6.788 143 HE ARG 16 HE ARG 16 16.077 -5.499 4.057 144 1HH1 ARG 16 1HH1 ARG 16 18.827 -5.182 5.189 145 2HH1 ARG 16 2HH1 ARG 16 19.060 -6.688 6.015 146 1HH2 ARG 16 1HH2 ARG 16 15.689 -7.506 6.024 147 2HH2 ARG 16 2HH2 ARG 16 17.283 -8.004 6.486 148 H GLU 17 H GLU 17 14.503 0.268 3.518 149 HA GLU 17 HA GLU 17 14.216 1.593 5.989 150 1HB GLU 17 1HB GLU 17 14.294 2.647 3.148 151 2HB GLU 17 2HB GLU 17 14.583 3.631 4.583 152 1HG GLU 17 1HG GLU 17 16.725 2.951 4.645 153 2HG GLU 17 2HG GLU 17 16.202 1.270 4.761 154 H VAL 18 H VAL 18 11.962 1.597 3.201 155 HA VAL 18 HA VAL 18 10.135 3.484 4.459 156 HB VAL 18 HB VAL 18 9.866 1.561 2.121 157 1HG1 VAL 18 1HG1 VAL 18 8.042 3.605 3.321 158 2HG1 VAL 18 2HG1 VAL 18 7.650 2.085 2.519 159 3HG1 VAL 18 3HG1 VAL 18 8.107 3.493 1.563 160 1HG2 VAL 18 1HG2 VAL 18 10.388 4.552 2.182 161 2HG2 VAL 18 2HG2 VAL 18 10.385 3.507 0.760 162 3HG2 VAL 18 3HG2 VAL 18 11.650 3.337 1.977 163 H LEU 19 H LEU 19 9.960 -0.042 3.847 164 HA LEU 19 HA LEU 19 7.470 -0.573 5.012 165 1HB LEU 19 1HB LEU 19 10.043 -2.036 4.594 166 2HB LEU 19 2HB LEU 19 8.806 -2.809 5.588 167 HG LEU 19 HG LEU 19 8.226 -1.666 2.847 168 1HD1 LEU 19 1HD1 LEU 19 8.699 -3.711 1.853 169 2HD1 LEU 19 2HD1 LEU 19 8.505 -4.606 3.361 170 3HD1 LEU 19 3HD1 LEU 19 9.963 -3.651 3.082 171 1HD2 LEU 19 1HD2 LEU 19 6.499 -2.305 4.819 172 2HD2 LEU 19 2HD2 LEU 19 6.696 -3.899 4.089 173 3HD2 LEU 19 3HD2 LEU 19 6.119 -2.548 3.115 174 H ASP 20 H ASP 20 10.615 -0.172 6.583 175 HA ASP 20 HA ASP 20 9.872 -1.043 9.196 176 1HB ASP 20 1HB ASP 20 12.171 -0.525 8.165 177 2HB ASP 20 2HB ASP 20 11.825 1.168 8.524 178 H LEU 21 H LEU 21 9.639 2.101 7.585 179 HA LEU 21 HA LEU 21 8.756 3.601 9.891 180 1HB LEU 21 1HB LEU 21 9.755 4.653 7.960 181 2HB LEU 21 2HB LEU 21 8.560 3.934 6.883 182 HG LEU 21 HG LEU 21 6.782 5.258 7.952 183 1HD1 LEU 21 1HD1 LEU 21 7.395 7.009 9.587 184 2HD1 LEU 21 2HD1 LEU 21 9.063 6.434 9.574 185 3HD1 LEU 21 3HD1 LEU 21 7.779 5.401 10.205 186 1HD2 LEU 21 1HD2 LEU 21 7.783 7.572 7.328 187 2HD2 LEU 21 2HD2 LEU 21 7.713 6.338 6.072 188 3HD2 LEU 21 3HD2 LEU 21 9.234 6.665 6.900 189 H VAL 22 H VAL 22 7.056 1.915 7.249 190 HA VAL 22 HA VAL 22 4.401 2.718 7.832 191 HB VAL 22 HB VAL 22 5.437 0.056 6.804 192 1HG1 VAL 22 1HG1 VAL 22 3.308 -0.162 5.730 193 2HG1 VAL 22 2HG1 VAL 22 2.862 1.498 6.127 194 3HG1 VAL 22 3HG1 VAL 22 2.970 0.283 7.402 195 1HG2 VAL 22 1HG2 VAL 22 4.599 1.853 4.735 196 2HG2 VAL 22 2HG2 VAL 22 6.204 1.168 4.999 197 3HG2 VAL 22 3HG2 VAL 22 5.760 2.696 5.761 198 H ARG 23 H ARG 23 6.200 -0.166 8.988 199 HA ARG 23 HA ARG 23 4.195 -1.360 10.558 200 1HB ARG 23 1HB ARG 23 7.156 -1.091 11.175 201 2HB ARG 23 2HB ARG 23 6.088 -2.367 11.752 202 1HG ARG 23 1HG ARG 23 5.691 -2.422 9.018 203 2HG ARG 23 2HG ARG 23 7.414 -2.086 9.162 204 1HD ARG 23 1HD ARG 23 6.024 -4.329 10.660 205 2HD ARG 23 2HD ARG 23 6.908 -4.549 9.136 206 HE ARG 23 HE ARG 23 8.768 -3.229 10.581 207 1HH1 ARG 23 1HH1 ARG 23 7.612 -6.344 10.565 208 2HH1 ARG 23 2HH1 ARG 23 8.252 -6.795 12.110 209 1HH2 ARG 23 1HH2 ARG 23 9.187 -3.564 12.960 210 2HH2 ARG 23 2HH2 ARG 23 9.144 -5.219 13.468 211 H LYS 24 H LYS 24 6.601 1.078 11.587 212 HA LYS 24 HA LYS 24 5.681 1.334 14.283 213 1HB LYS 24 1HB LYS 24 7.477 2.652 12.384 214 2HB LYS 24 2HB LYS 24 6.758 3.785 13.527 215 1HG LYS 24 1HG LYS 24 7.385 1.778 15.224 216 2HG LYS 24 2HG LYS 24 8.651 1.551 14.018 217 1HD LYS 24 1HD LYS 24 8.390 4.358 14.550 218 2HD LYS 24 2HD LYS 24 8.544 3.505 16.085 219 1HE LYS 24 1HE LYS 24 10.396 2.963 13.746 220 2HE LYS 24 2HE LYS 24 10.759 4.166 14.999 221 1HZ LYS 24 1HZ LYS 24 11.672 2.141 15.763 222 2HZ LYS 24 2HZ LYS 24 10.276 1.262 15.355 223 3HZ LYS 24 3HZ LYS 24 10.242 2.362 16.651 224 H VAL 25 H VAL 25 4.558 2.799 11.277 225 HA VAL 25 HA VAL 25 2.944 4.854 12.570 226 HB VAL 25 HB VAL 25 2.880 3.654 9.781 227 1HG1 VAL 25 1HG1 VAL 25 2.052 6.437 10.612 228 2HG1 VAL 25 2HG1 VAL 25 0.906 5.095 10.604 229 3HG1 VAL 25 3HG1 VAL 25 1.694 5.591 9.105 230 1HG2 VAL 25 1HG2 VAL 25 4.990 4.941 11.003 231 2HG2 VAL 25 2HG2 VAL 25 4.148 6.276 10.216 232 3HG2 VAL 25 3HG2 VAL 25 4.708 4.901 9.262 233 H ALA 26 H ALA 26 2.424 1.528 11.525 234 HA ALA 26 HA ALA 26 -0.477 1.621 11.677 235 1HB ALA 26 1HB ALA 26 0.146 -0.989 11.897 236 2HB ALA 26 2HB ALA 26 1.717 -0.387 11.369 237 3HB ALA 26 3HB ALA 26 0.291 -0.129 10.365 238 H GLU 27 H GLU 27 2.122 0.443 13.827 239 HA GLU 27 HA GLU 27 0.330 -0.315 15.975 240 1HB GLU 27 1HB GLU 27 3.209 -0.165 15.370 241 2HB GLU 27 2HB GLU 27 2.830 0.098 17.071 242 1HG GLU 27 1HG GLU 27 1.991 -2.031 17.359 243 2HG GLU 27 2HG GLU 27 1.451 -2.157 15.684 244 H GLU 28 H GLU 28 1.482 2.728 14.842 245 HA GLU 28 HA GLU 28 1.511 4.095 17.425 246 1HB GLU 28 1HB GLU 28 1.841 4.692 14.531 247 2HB GLU 28 2HB GLU 28 1.308 6.037 15.539 248 1HG GLU 28 1HG GLU 28 3.620 4.317 16.410 249 2HG GLU 28 2HG GLU 28 3.872 5.625 15.253 250 H ASN 29 H ASN 29 -0.633 4.373 14.558 251 HA ASN 29 HA ASN 29 -2.678 5.856 15.927 252 1HB ASN 29 1HB ASN 29 -2.352 4.328 13.370 253 2HB ASN 29 2HB ASN 29 -3.979 4.812 13.847 254 1HD2 ASN 29 1HD2 ASN 29 -0.899 5.985 12.655 255 2HD2 ASN 29 2HD2 ASN 29 -1.356 7.613 12.505 256 H GLY 30 H GLY 30 -1.927 2.451 15.768 257 1HA GLY 30 1HA GLY 30 -2.857 0.930 17.439 258 2HA GLY 30 2HA GLY 30 -4.329 1.899 17.443 259 H ARG 31 H ARG 31 -3.012 1.314 14.322 260 HA ARG 31 HA ARG 31 -5.113 -0.776 13.852 261 1HB ARG 31 1HB ARG 31 -3.905 1.261 11.953 262 2HB ARG 31 2HB ARG 31 -5.269 0.197 11.611 263 1HG ARG 31 1HG ARG 31 -6.446 1.283 13.595 264 2HG ARG 31 2HG ARG 31 -5.155 2.485 13.584 265 1HD ARG 31 1HD ARG 31 -5.698 2.866 11.114 266 2HD ARG 31 2HD ARG 31 -7.170 1.914 11.395 267 HE ARG 31 HE ARG 31 -6.640 4.115 13.298 268 1HH1 ARG 31 1HH1 ARG 31 -9.338 2.966 13.111 269 2HH1 ARG 31 2HH1 ARG 31 -10.170 4.080 12.080 270 1HH2 ARG 31 1HH2 ARG 31 -7.273 5.532 10.856 271 2HH2 ARG 31 2HH2 ARG 31 -9.003 5.532 10.805 272 H SER 32 H SER 32 -4.280 -1.527 11.299 273 HA SER 32 HA SER 32 -1.733 -2.962 11.893 274 1HB SER 32 1HB SER 32 -4.029 -3.406 9.960 275 2HB SER 32 2HB SER 32 -2.588 -4.418 10.009 276 HG SER 32 HG SER 32 -4.683 -4.810 11.394 277 H VAL 33 H VAL 33 -0.648 -3.477 9.540 278 HA VAL 33 HA VAL 33 0.195 -0.872 8.535 279 HB VAL 33 HB VAL 33 0.859 -3.737 7.793 280 1HG1 VAL 33 1HG1 VAL 33 2.919 -1.742 7.358 281 2HG1 VAL 33 2HG1 VAL 33 1.464 -1.358 6.439 282 3HG1 VAL 33 3HG1 VAL 33 2.253 -2.920 6.228 283 1HG2 VAL 33 1HG2 VAL 33 1.930 -1.750 9.796 284 2HG2 VAL 33 2HG2 VAL 33 2.962 -3.039 9.165 285 3HG2 VAL 33 3HG2 VAL 33 1.486 -3.440 10.047 286 H ASN 34 H ASN 34 -2.190 -3.220 7.657 287 HA ASN 34 HA ASN 34 -2.283 -2.557 4.801 288 1HB ASN 34 1HB ASN 34 -3.030 -4.700 6.076 289 2HB ASN 34 2HB ASN 34 -4.475 -3.778 6.493 290 1HD2 ASN 34 1HD2 ASN 34 -5.711 -5.352 5.114 291 2HD2 ASN 34 2HD2 ASN 34 -5.700 -5.167 3.426 292 H SER 35 H SER 35 -3.822 -1.489 7.786 293 HA SER 35 HA SER 35 -5.807 0.195 6.442 294 1HB SER 35 1HB SER 35 -6.213 -0.830 8.635 295 2HB SER 35 2HB SER 35 -4.798 -0.019 9.300 296 HG SER 35 HG SER 35 -7.298 0.890 9.051 297 H GLU 36 H GLU 36 -2.625 0.610 7.985 298 HA GLU 36 HA GLU 36 -2.544 3.471 7.944 299 1HB GLU 36 1HB GLU 36 -1.036 1.363 8.855 300 2HB GLU 36 2HB GLU 36 -0.051 1.941 7.511 301 1HG GLU 36 1HG GLU 36 0.628 3.135 9.489 302 2HG GLU 36 2HG GLU 36 -0.258 4.257 8.458 303 H ILE 37 H ILE 37 -1.189 1.037 5.693 304 HA ILE 37 HA ILE 37 -0.264 2.888 3.712 305 HB ILE 37 HB ILE 37 -1.183 -0.005 3.583 306 1HG1 ILE 37 1HG1 ILE 37 0.673 0.500 5.175 307 2HG1 ILE 37 2HG1 ILE 37 1.188 -0.529 3.838 308 1HG2 ILE 37 1HG2 ILE 37 0.780 0.396 1.655 309 2HG2 ILE 37 2HG2 ILE 37 -0.237 1.830 1.516 310 3HG2 ILE 37 3HG2 ILE 37 -0.949 0.227 1.348 311 1HD1 ILE 37 1HD1 ILE 37 1.636 2.458 4.108 312 2HD1 ILE 37 2HD1 ILE 37 2.002 1.534 2.651 313 3HD1 ILE 37 3HD1 ILE 37 2.865 1.193 4.151 314 H TYR 38 H TYR 38 -3.395 1.337 4.289 315 HA TYR 38 HA TYR 38 -4.636 1.980 1.790 316 1HB TYR 38 1HB TYR 38 -5.455 0.311 3.394 317 2HB TYR 38 2HB TYR 38 -5.726 1.575 4.594 318 HD1 TYR 38 HD1 TYR 38 -8.020 1.922 4.877 319 HD2 TYR 38 HD2 TYR 38 -6.424 1.361 0.915 320 HE1 TYR 38 HE1 TYR 38 -10.270 2.360 3.910 321 HE2 TYR 38 HE2 TYR 38 -8.678 1.802 -0.062 322 HH TYR 38 HH TYR 38 -11.510 1.839 1.820 323 H GLN 39 H GLN 39 -4.231 3.785 4.817 324 HA GLN 39 HA GLN 39 -6.060 5.932 4.108 325 1HB GLN 39 1HB GLN 39 -4.471 5.051 6.303 326 2HB GLN 39 2HB GLN 39 -3.980 6.708 5.948 327 1HG GLN 39 1HG GLN 39 -5.784 7.125 7.336 328 2HG GLN 39 2HG GLN 39 -6.611 7.076 5.779 329 1HE2 GLN 39 1HE2 GLN 39 -8.610 6.140 6.422 330 2HE2 GLN 39 2HE2 GLN 39 -8.736 4.606 7.140 331 H ARG 40 H ARG 40 -2.500 5.577 4.068 332 HA ARG 40 HA ARG 40 -1.882 8.148 2.993 333 1HB ARG 40 1HB ARG 40 -0.499 5.456 2.692 334 2HB ARG 40 2HB ARG 40 0.262 7.026 2.435 335 1HG ARG 40 1HG ARG 40 -0.394 7.612 4.819 336 2HG ARG 40 2HG ARG 40 -0.842 5.918 5.027 337 1HD ARG 40 1HD ARG 40 1.508 5.305 4.275 338 2HD ARG 40 2HD ARG 40 1.909 7.031 4.399 339 HE ARG 40 HE ARG 40 1.558 5.251 6.639 340 1HH1 ARG 40 1HH1 ARG 40 2.609 8.250 6.072 341 2HH1 ARG 40 2HH1 ARG 40 1.796 9.040 7.381 342 1HH2 ARG 40 1HH2 ARG 40 -0.259 6.336 8.086 343 2HH2 ARG 40 2HH2 ARG 40 0.168 7.958 8.519 344 H VAL 41 H VAL 41 -3.161 5.251 1.536 345 HA VAL 41 HA VAL 41 -2.544 6.087 -1.229 346 HB VAL 41 HB VAL 41 -4.036 3.798 0.093 347 1HG1 VAL 41 1HG1 VAL 41 -5.039 4.260 -2.117 348 2HG1 VAL 41 2HG1 VAL 41 -4.127 2.750 -2.137 349 3HG1 VAL 41 3HG1 VAL 41 -3.437 4.207 -2.855 350 1HG2 VAL 41 1HG2 VAL 41 -1.697 3.281 -1.609 351 2HG2 VAL 41 2HG2 VAL 41 -2.059 2.692 0.014 352 3HG2 VAL 41 3HG2 VAL 41 -1.339 4.286 -0.205 353 H MET 42 H MET 42 -5.191 6.157 1.068 354 HA MET 42 HA MET 42 -7.270 6.813 -0.869 355 1HB MET 42 1HB MET 42 -6.959 6.094 1.885 356 2HB MET 42 2HB MET 42 -7.892 7.586 1.820 357 1HG MET 42 1HG MET 42 -8.804 5.810 -0.254 358 2HG MET 42 2HG MET 42 -8.795 4.950 1.282 359 1HE MET 42 1HE MET 42 -9.664 5.682 3.334 360 2HE MET 42 2HE MET 42 -11.110 4.962 2.638 361 3HE MET 42 3HE MET 42 -11.220 6.487 3.513 362 H GLU 43 H GLU 43 -4.854 8.588 0.900 363 HA GLU 43 HA GLU 43 -6.227 11.166 0.815 364 1HB GLU 43 1HB GLU 43 -3.412 10.210 1.393 365 2HB GLU 43 2HB GLU 43 -3.873 11.910 1.490 366 1HG GLU 43 1HG GLU 43 -5.821 10.313 2.888 367 2HG GLU 43 2HG GLU 43 -4.206 9.919 3.480 368 H SER 44 H SER 44 -4.304 9.306 -1.400 369 HA SER 44 HA SER 44 -3.352 11.581 -2.976 370 1HB SER 44 1HB SER 44 -2.664 8.949 -2.642 371 2HB SER 44 2HB SER 44 -3.527 8.882 -4.177 372 HG SER 44 HG SER 44 -1.982 9.999 -5.091 373 H PHE 45 H PHE 45 -5.861 9.062 -3.400 374 HA PHE 45 HA PHE 45 -6.854 10.059 -5.909 375 1HB PHE 45 1HB PHE 45 -8.030 8.359 -3.691 376 2HB PHE 45 2HB PHE 45 -8.798 8.577 -5.264 377 HD1 PHE 45 HD1 PHE 45 -6.955 6.292 -3.507 378 HD2 PHE 45 HD2 PHE 45 -6.804 8.424 -7.257 379 HE1 PHE 45 HE1 PHE 45 -5.516 4.498 -4.469 380 HE2 PHE 45 HE2 PHE 45 -5.366 6.632 -8.219 381 HZ PHE 45 HZ PHE 45 -4.725 4.666 -6.826 382 H LYS 46 H LYS 46 -7.170 11.284 -2.712 383 HA LYS 46 HA LYS 46 -9.832 12.427 -2.967 384 1HB LYS 46 1HB LYS 46 -7.479 12.580 -1.122 385 2HB LYS 46 2HB LYS 46 -8.714 13.832 -0.995 386 1HG LYS 46 1HG LYS 46 -9.440 10.903 -1.045 387 2HG LYS 46 2HG LYS 46 -9.027 11.726 0.460 388 1HD LYS 46 1HD LYS 46 -10.780 13.492 -0.267 389 2HD LYS 46 2HD LYS 46 -11.340 12.260 -1.397 390 1HE LYS 46 1HE LYS 46 -11.250 10.726 0.794 391 2HE LYS 46 2HE LYS 46 -11.490 12.296 1.587 392 1HZ LYS 46 1HZ LYS 46 -13.310 12.725 0.004 393 2HZ LYS 46 2HZ LYS 46 -13.620 11.374 0.984 394 3HZ LYS 46 3HZ LYS 46 -13.120 11.162 -0.627 395 H LYS 47 H LYS 47 -6.518 13.624 -3.493 396 HA LYS 47 HA LYS 47 -7.054 16.373 -3.864 397 1HB LYS 47 1HB LYS 47 -5.057 14.373 -4.868 398 2HB LYS 47 2HB LYS 47 -5.040 15.995 -5.559 399 1HG LYS 47 1HG LYS 47 -4.516 17.006 -3.515 400 2HG LYS 47 2HG LYS 47 -5.126 15.644 -2.574 401 1HD LYS 47 1HD LYS 47 -2.810 15.354 -2.401 402 2HD LYS 47 2HD LYS 47 -3.211 14.306 -3.762 403 1HE LYS 47 1HE LYS 47 -2.563 16.062 -5.349 404 2HE LYS 47 2HE LYS 47 -2.223 17.172 -4.006 405 1HZ LYS 47 1HZ LYS 47 -0.169 16.195 -4.440 406 2HZ LYS 47 2HZ LYS 47 -0.837 14.657 -4.716 407 3HZ LYS 47 3HZ LYS 47 -0.759 15.282 -3.137 408 H GLU 48 H GLU 48 -6.947 13.810 -6.373 409 HA GLU 48 HA GLU 48 -7.870 15.510 -8.509 410 1HB GLU 48 1HB GLU 48 -7.224 12.703 -7.971 411 2HB GLU 48 2HB GLU 48 -8.532 12.883 -9.141 412 1HG GLU 48 1HG GLU 48 -7.037 13.438 -10.726 413 2HG GLU 48 2HG GLU 48 -6.531 14.826 -9.762 414 H GLY 49 H GLY 49 -9.602 12.808 -6.907 415 1HA GLY 49 1HA GLY 49 -11.860 13.421 -5.910 416 2HA GLY 49 2HA GLY 49 -12.140 14.307 -7.408 417 H ARG 50 H ARG 50 -10.550 11.151 -7.199 418 HA ARG 50 HA ARG 50 -12.450 10.052 -9.151 419 1HB ARG 50 1HB ARG 50 -9.787 9.581 -8.158 420 2HB ARG 50 2HB ARG 50 -10.700 8.081 -8.065 421 1HG ARG 50 1HG ARG 50 -10.630 7.817 -10.300 422 2HG ARG 50 2HG ARG 50 -11.250 9.447 -10.560 423 1HD ARG 50 1HD ARG 50 -8.597 9.801 -9.679 424 2HD ARG 50 2HD ARG 50 -8.545 8.494 -10.880 425 HE ARG 50 HE ARG 50 -9.625 11.230 -11.372 426 1HH1 ARG 50 1HH1 ARG 50 -7.465 9.098 -12.592 427 2HH1 ARG 50 2HH1 ARG 50 -8.114 9.023 -14.196 428 1HH2 ARG 50 1HH2 ARG 50 -11.030 10.699 -13.377 429 2HH2 ARG 50 2HH2 ARG 50 -10.130 9.932 -14.641 430 H ILE 51 H ILE 51 -11.870 9.882 -5.689 431 HA ILE 51 HA ILE 51 -14.040 7.825 -5.441 432 HB ILE 51 HB ILE 51 -12.960 7.410 -3.222 433 1HG1 ILE 51 1HG1 ILE 51 -10.790 9.280 -4.186 434 2HG1 ILE 51 2HG1 ILE 51 -12.070 9.807 -3.096 435 1HG2 ILE 51 1HG2 ILE 51 -10.800 7.364 -5.306 436 2HG2 ILE 51 2HG2 ILE 51 -12.240 6.367 -5.509 437 3HG2 ILE 51 3HG2 ILE 51 -11.200 6.142 -4.100 438 1HD1 ILE 51 1HD1 ILE 51 -11.360 8.379 -1.368 439 2HD1 ILE 51 2HD1 ILE 51 -9.845 8.951 -2.057 440 3HD1 ILE 51 3HD1 ILE 51 -10.450 7.348 -2.470 441 H GLY 52 H GLY 52 -15.410 8.149 -3.417 442 1HA GLY 52 1HA GLY 52 -15.520 10.686 -2.083 443 2HA GLY 52 2HA GLY 52 -16.690 10.667 -3.403 444 H ALA 53 H ALA 53 -15.720 7.906 -1.397 445 HA ALA 53 HA ALA 53 -18.580 7.665 -0.539 446 1HB ALA 53 1HB ALA 53 -16.650 5.421 -0.254 447 2HB ALA 53 2HB ALA 53 -17.010 5.928 -1.904 448 3HB ALA 53 3HB ALA 53 -18.320 5.403 -0.840 449 1H MET 1 1H MET 1 0.917 -25.382 -17.521 450 2H MET 1 2H MET 1 1.353 -24.808 -15.984 451 3H MET 1 3H MET 1 1.952 -24.046 -17.381 452 HA MET 1 HA MET 1 -0.300 -23.340 -17.981 453 1HB MET 1 1HB MET 1 -0.774 -25.309 -15.865 454 2HB MET 1 2HB MET 1 -1.705 -23.830 -15.626 455 1HG MET 1 1HG MET 1 -2.901 -24.098 -17.593 456 2HG MET 1 2HG MET 1 -1.616 -25.023 -18.369 457 1HE MET 1 1HE MET 1 -2.974 -26.833 -19.317 458 2HE MET 1 2HE MET 1 -4.439 -25.995 -18.808 459 3HE MET 1 3HE MET 1 -4.263 -27.719 -18.492 460 H LYS 2 H LYS 2 -0.490 -21.165 -17.518 461 HA LYS 2 HA LYS 2 0.542 -20.206 -14.868 462 1HB LYS 2 1HB LYS 2 0.903 -19.014 -17.638 463 2HB LYS 2 2HB LYS 2 1.514 -18.310 -16.140 464 1HG LYS 2 1HG LYS 2 2.774 -20.472 -15.751 465 2HG LYS 2 2HG LYS 2 2.319 -20.948 -17.389 466 1HD LYS 2 1HD LYS 2 3.338 -18.728 -18.159 467 2HD LYS 2 2HD LYS 2 4.036 -18.607 -16.544 468 1HE LYS 2 1HE LYS 2 4.411 -21.110 -18.197 469 2HE LYS 2 2HE LYS 2 5.499 -19.719 -18.376 470 1HZ LYS 2 1HZ LYS 2 6.025 -19.768 -16.090 471 2HZ LYS 2 2HZ LYS 2 6.153 -21.378 -16.617 472 3HZ LYS 2 3HZ LYS 2 4.789 -20.875 -15.739 473 H GLY 3 H GLY 3 -2.155 -20.651 -15.088 474 1HA GLY 3 1HA GLY 3 -3.416 -18.095 -15.921 475 2HA GLY 3 2HA GLY 3 -4.278 -19.572 -15.485 476 H MET 4 H MET 4 -2.951 -16.612 -14.296 477 HA MET 4 HA MET 4 -4.022 -17.277 -11.578 478 1HB MET 4 1HB MET 4 -1.345 -17.133 -12.281 479 2HB MET 4 2HB MET 4 -1.668 -15.518 -11.650 480 1HG MET 4 1HG MET 4 -2.709 -16.592 -9.628 481 2HG MET 4 2HG MET 4 -2.168 -18.154 -10.241 482 1HE MET 4 1HE MET 4 0.612 -17.240 -11.671 483 2HE MET 4 2HE MET 4 0.178 -18.734 -10.844 484 3HE MET 4 3HE MET 4 1.641 -17.869 -10.376 485 H SER 5 H SER 5 -4.862 -15.434 -10.447 486 HA SER 5 HA SER 5 -5.976 -13.341 -12.097 487 1HB SER 5 1HB SER 5 -5.684 -13.286 -9.095 488 2HB SER 5 2HB SER 5 -7.022 -12.692 -10.076 489 HG SER 5 HG SER 5 -7.081 -14.893 -8.911 490 H LYS 6 H LYS 6 -5.642 -10.943 -11.110 491 HA LYS 6 HA LYS 6 -2.684 -10.490 -10.872 492 1HB LYS 6 1HB LYS 6 -4.790 -9.404 -12.679 493 2HB LYS 6 2HB LYS 6 -3.556 -8.268 -12.128 494 1HG LYS 6 1HG LYS 6 -2.298 -10.750 -12.870 495 2HG LYS 6 2HG LYS 6 -3.324 -10.197 -14.195 496 1HD LYS 6 1HD LYS 6 -2.078 -8.300 -14.552 497 2HD LYS 6 2HD LYS 6 -1.640 -8.141 -12.851 498 1HE LYS 6 1HE LYS 6 -0.243 -10.317 -13.249 499 2HE LYS 6 2HE LYS 6 -0.377 -9.880 -14.963 500 1HZ LYS 6 1HZ LYS 6 1.559 -8.840 -13.882 501 2HZ LYS 6 2HZ LYS 6 0.514 -8.036 -12.809 502 3HZ LYS 6 3HZ LYS 6 0.458 -7.693 -14.473 503 H MET 7 H MET 7 -4.065 -10.671 -8.516 504 HA MET 7 HA MET 7 -4.080 -7.848 -7.604 505 1HB MET 7 1HB MET 7 -6.332 -7.811 -7.378 506 2HB MET 7 2HB MET 7 -6.391 -9.365 -8.198 507 1HG MET 7 1HG MET 7 -6.196 -10.529 -6.038 508 2HG MET 7 2HG MET 7 -6.086 -8.979 -5.202 509 1HE MET 7 1HE MET 7 -9.399 -8.192 -4.241 510 2HE MET 7 2HE MET 7 -7.650 -7.987 -4.177 511 3HE MET 7 3HE MET 7 -8.374 -9.491 -3.611 512 HA PRO 8 HA PRO 8 -1.751 -10.048 -4.486 513 1HB PRO 8 1HB PRO 8 -1.226 -7.895 -2.878 514 2HB PRO 8 2HB PRO 8 -0.350 -8.210 -4.390 515 1HG PRO 8 1HG PRO 8 -2.578 -6.310 -3.851 516 2HG PRO 8 2HG PRO 8 -1.141 -6.105 -4.863 517 1HD PRO 8 1HD PRO 8 -3.608 -6.668 -5.865 518 2HD PRO 8 2HD PRO 8 -2.093 -7.152 -6.660 519 H GLN 9 H GLN 9 -2.066 -10.614 -2.209 520 HA GLN 9 HA GLN 9 -4.874 -10.497 -1.370 521 1HB GLN 9 1HB GLN 9 -2.317 -11.797 -0.463 522 2HB GLN 9 2HB GLN 9 -3.727 -11.814 0.596 523 1HG GLN 9 1HG GLN 9 -3.690 -12.808 -2.270 524 2HG GLN 9 2HG GLN 9 -3.630 -13.838 -0.838 525 1HE2 GLN 9 1HE2 GLN 9 -5.769 -12.423 -3.059 526 2HE2 GLN 9 2HE2 GLN 9 -7.198 -12.567 -2.154 527 H PHE 10 H PHE 10 -1.962 -8.728 -0.693 528 HA PHE 10 HA PHE 10 -2.419 -7.845 1.966 529 1HB PHE 10 1HB PHE 10 -0.341 -7.503 0.743 530 2HB PHE 10 2HB PHE 10 -1.170 -6.512 -0.459 531 HD1 PHE 10 HD1 PHE 10 -1.217 -4.180 -0.196 532 HD2 PHE 10 HD2 PHE 10 -0.563 -6.694 3.253 533 HE1 PHE 10 HE1 PHE 10 -0.852 -2.154 1.211 534 HE2 PHE 10 HE2 PHE 10 -0.198 -4.666 4.658 535 HZ PHE 10 HZ PHE 10 -0.344 -2.399 3.639 536 H LEU 11 H LEU 11 -4.007 -6.957 -1.029 537 HA LEU 11 HA LEU 11 -5.272 -4.583 0.247 538 1HB LEU 11 1HB LEU 11 -5.437 -5.699 -2.571 539 2HB LEU 11 2HB LEU 11 -5.979 -4.104 -2.049 540 HG LEU 11 HG LEU 11 -3.118 -5.054 -1.769 541 1HD1 LEU 11 1HD1 LEU 11 -4.294 -4.697 -4.173 542 2HD1 LEU 11 2HD1 LEU 11 -2.612 -4.265 -3.859 543 3HD1 LEU 11 3HD1 LEU 11 -3.864 -3.025 -3.808 544 1HD2 LEU 11 1HD2 LEU 11 -3.634 -2.197 -2.011 545 2HD2 LEU 11 2HD2 LEU 11 -2.769 -3.070 -0.745 546 3HD2 LEU 11 3HD2 LEU 11 -4.523 -2.899 -0.658 547 H ASN 12 H ASN 12 -5.964 -7.377 1.064 548 HA ASN 12 HA ASN 12 -8.512 -8.098 -0.104 549 1HB ASN 12 1HB ASN 12 -6.617 -9.141 1.687 550 2HB ASN 12 2HB ASN 12 -8.086 -8.957 2.646 551 1HD2 ASN 12 1HD2 ASN 12 -7.258 -10.053 -0.705 552 2HD2 ASN 12 2HD2 ASN 12 -8.288 -11.402 -0.668 553 H ARG 13 H ARG 13 -7.523 -6.015 2.576 554 HA ARG 13 HA ARG 13 -10.240 -5.702 3.612 555 1HB ARG 13 1HB ARG 13 -7.824 -5.499 4.709 556 2HB ARG 13 2HB ARG 13 -7.994 -3.817 4.200 557 1HG ARG 13 1HG ARG 13 -10.070 -3.596 5.442 558 2HG ARG 13 2HG ARG 13 -10.050 -5.312 5.851 559 1HD ARG 13 1HD ARG 13 -8.405 -5.050 7.452 560 2HD ARG 13 2HD ARG 13 -7.651 -3.688 6.601 561 HE ARG 13 HE ARG 13 -9.758 -2.378 7.273 562 1HH1 ARG 13 1HH1 ARG 13 -10.160 -5.317 8.671 563 2HH1 ARG 13 2HH1 ARG 13 -10.190 -4.772 10.315 564 1HH2 ARG 13 1HH2 ARG 13 -9.111 -1.566 9.541 565 2HH2 ARG 13 2HH2 ARG 13 -9.596 -2.644 10.808 566 H TRP 14 H TRP 14 -8.243 -4.160 1.225 567 HA TRP 14 HA TRP 14 -9.468 -1.577 1.125 568 1HB TRP 14 1HB TRP 14 -8.035 -3.362 -0.850 569 2HB TRP 14 2HB TRP 14 -8.529 -1.724 -1.242 570 HD1 TRP 14 HD1 TRP 14 -7.185 -2.718 2.222 571 HE1 TRP 14 HE1 TRP 14 -4.966 -1.467 2.615 572 HE3 TRP 14 HE3 TRP 14 -6.611 -0.576 -2.352 573 HZ2 TRP 14 HZ2 TRP 14 -3.157 0.245 1.154 574 HZ3 TRP 14 HZ3 TRP 14 -4.631 0.866 -2.856 575 HH2 TRP 14 HH2 TRP 14 -2.909 1.278 -1.101 576 HA PRO 15 HA PRO 15 -13.370 -2.894 -0.518 577 1HB PRO 15 1HB PRO 15 -14.300 -0.465 -1.373 578 2HB PRO 15 2HB PRO 15 -14.310 -0.982 0.322 579 1HG PRO 15 1HG PRO 15 -12.420 0.823 -1.096 580 2HG PRO 15 2HG PRO 15 -13.050 0.931 0.553 581 1HD PRO 15 1HD PRO 15 -10.550 0.017 -0.045 582 2HD PRO 15 2HD PRO 15 -11.460 -0.484 1.396 583 H ARG 16 H ARG 16 -14.330 -3.231 -2.543 584 HA ARG 16 HA ARG 16 -12.700 -3.624 -4.781 585 1HB ARG 16 1HB ARG 16 -15.320 -4.047 -3.955 586 2HB ARG 16 2HB ARG 16 -15.490 -3.010 -5.368 587 1HG ARG 16 1HG ARG 16 -13.820 -4.572 -6.503 588 2HG ARG 16 2HG ARG 16 -14.120 -5.670 -5.157 589 1HD ARG 16 1HD ARG 16 -16.600 -4.620 -6.327 590 2HD ARG 16 2HD ARG 16 -15.640 -5.566 -7.479 591 HE ARG 16 HE ARG 16 -15.890 -6.756 -4.800 592 1HH1 ARG 16 1HH1 ARG 16 -18.640 -6.622 -5.941 593 2HH1 ARG 16 2HH1 ARG 16 -18.750 -8.106 -6.828 594 1HH2 ARG 16 1HH2 ARG 16 -15.320 -8.637 -6.848 595 2HH2 ARG 16 2HH2 ARG 16 -16.860 -9.245 -7.346 596 H GLU 17 H GLU 17 -14.810 -0.896 -4.021 597 HA GLU 17 HA GLU 17 -14.630 0.555 -6.428 598 1HB GLU 17 1HB GLU 17 -14.810 1.474 -3.544 599 2HB GLU 17 2HB GLU 17 -15.170 2.494 -4.936 600 1HG GLU 17 1HG GLU 17 -17.250 1.639 -5.054 601 2HG GLU 17 2HG GLU 17 -16.580 0.015 -5.235 602 H VAL 18 H VAL 18 -12.400 0.630 -3.623 603 HA VAL 18 HA VAL 18 -10.730 2.720 -4.789 604 HB VAL 18 HB VAL 18 -10.300 0.732 -2.530 605 1HG1 VAL 18 1HG1 VAL 18 -8.664 2.976 -3.633 606 2HG1 VAL 18 2HG1 VAL 18 -8.142 1.462 -2.893 607 3HG1 VAL 18 3HG1 VAL 18 -8.721 2.783 -1.880 608 1HG2 VAL 18 1HG2 VAL 18 -11.080 3.666 -2.466 609 2HG2 VAL 18 2HG2 VAL 18 -10.990 2.564 -1.093 610 3HG2 VAL 18 3HG2 VAL 18 -12.240 2.340 -2.325 611 H LEU 19 H LEU 19 -10.260 -0.803 -4.320 612 HA LEU 19 HA LEU 19 -7.729 -1.069 -5.485 613 1HB LEU 19 1HB LEU 19 -10.160 -2.763 -5.145 614 2HB LEU 19 2HB LEU 19 -8.864 -3.387 -6.158 615 HG LEU 19 HG LEU 19 -8.399 -2.308 -3.371 616 1HD1 LEU 19 1HD1 LEU 19 -8.702 -4.425 -2.463 617 2HD1 LEU 19 2HD1 LEU 19 -8.421 -5.237 -4.002 618 3HD1 LEU 19 3HD1 LEU 19 -9.957 -4.426 -3.702 619 1HD2 LEU 19 1HD2 LEU 19 -6.615 -2.719 -5.354 620 2HD2 LEU 19 2HD2 LEU 19 -6.681 -4.353 -4.691 621 3HD2 LEU 19 3HD2 LEU 19 -6.223 -3.000 -3.656 622 H ASP 20 H ASP 20 -10.880 -0.868 -7.063 623 HA ASP 20 HA ASP 20 -10.060 -1.566 -9.701 624 1HB ASP 20 1HB ASP 20 -12.400 -1.295 -8.671 625 2HB ASP 20 2HB ASP 20 -12.200 0.435 -8.954 626 H LEU 21 H LEU 21 -10.100 1.516 -7.963 627 HA LEU 21 HA LEU 21 -9.347 3.179 -10.200 628 1HB LEU 21 1HB LEU 21 -10.440 4.065 -8.238 629 2HB LEU 21 2HB LEU 21 -9.195 3.408 -7.179 630 HG LEU 21 HG LEU 21 -7.530 4.918 -8.183 631 1HD1 LEU 21 1HD1 LEU 21 -8.290 6.681 -9.747 632 2HD1 LEU 21 2HD1 LEU 21 -9.897 5.956 -9.774 633 3HD1 LEU 21 3HD1 LEU 21 -8.519 5.073 -10.433 634 1HD2 LEU 21 1HD2 LEU 21 -8.760 7.118 -7.493 635 2HD2 LEU 21 2HD2 LEU 21 -8.521 5.864 -6.275 636 3HD2 LEU 21 3HD2 LEU 21 -10.080 6.042 -7.061 637 H VAL 22 H VAL 22 -7.522 1.536 -7.615 638 HA VAL 22 HA VAL 22 -4.943 2.586 -8.144 639 HB VAL 22 HB VAL 22 -5.750 -0.196 -7.234 640 1HG1 VAL 22 1HG1 VAL 22 -3.616 -0.270 -6.146 641 2HG1 VAL 22 2HG1 VAL 22 -3.315 1.436 -6.474 642 3HG1 VAL 22 3HG1 VAL 22 -3.308 0.270 -7.797 643 1HG2 VAL 22 1HG2 VAL 22 -5.086 1.580 -5.084 644 2HG2 VAL 22 2HG2 VAL 22 -6.623 0.771 -5.394 645 3HG2 VAL 22 3HG2 VAL 22 -6.308 2.362 -6.087 646 H ARG 23 H ARG 23 -6.486 -0.389 -9.432 647 HA ARG 23 HA ARG 23 -4.376 -1.345 -11.031 648 1HB ARG 23 1HB ARG 23 -7.347 -1.300 -11.657 649 2HB ARG 23 2HB ARG 23 -6.172 -2.457 -12.281 650 1HG ARG 23 1HG ARG 23 -5.783 -2.594 -9.547 651 2HG ARG 23 2HG ARG 23 -7.528 -2.399 -9.690 652 1HD ARG 23 1HD ARG 23 -5.943 -4.455 -11.265 653 2HD ARG 23 2HD ARG 23 -6.818 -4.809 -9.761 654 HE ARG 23 HE ARG 23 -8.767 -3.585 -11.176 655 1HH1 ARG 23 1HH1 ARG 23 -7.367 -6.597 -11.261 656 2HH1 ARG 23 2HH1 ARG 23 -7.951 -7.036 -12.831 657 1HH2 ARG 23 1HH2 ARG 23 -9.135 -3.864 -13.571 658 2HH2 ARG 23 2HH2 ARG 23 -8.953 -5.491 -14.137 659 H LYS 24 H LYS 24 -6.975 0.921 -11.982 660 HA LYS 24 HA LYS 24 -6.070 1.361 -14.657 661 1HB LYS 24 1HB LYS 24 -7.979 2.447 -12.720 662 2HB LYS 24 2HB LYS 24 -7.355 3.682 -13.814 663 1HG LYS 24 1HG LYS 24 -7.801 1.694 -15.590 664 2HG LYS 24 2HG LYS 24 -9.051 1.315 -14.404 665 1HD LYS 24 1HD LYS 24 -9.023 4.154 -14.828 666 2HD LYS 24 2HD LYS 24 -9.097 3.348 -16.396 667 1HE LYS 24 1HE LYS 24 -10.910 2.565 -14.095 668 2HE LYS 24 2HE LYS 24 -11.360 3.783 -15.303 669 1HZ LYS 24 1HZ LYS 24 -12.100 1.723 -16.155 670 2HZ LYS 24 2HZ LYS 24 -10.640 0.943 -15.764 671 3HZ LYS 24 3HZ LYS 24 -10.680 2.090 -17.016 672 H VAL 25 H VAL 25 -5.092 2.792 -11.587 673 HA VAL 25 HA VAL 25 -3.653 5.030 -12.780 674 HB VAL 25 HB VAL 25 -3.504 3.727 -10.040 675 1HG1 VAL 25 1HG1 VAL 25 -2.907 6.599 -10.752 676 2HG1 VAL 25 2HG1 VAL 25 -1.654 5.358 -10.780 677 3HG1 VAL 25 3HG1 VAL 25 -2.495 5.731 -9.274 678 1HG2 VAL 25 1HG2 VAL 25 -5.709 4.876 -11.228 679 2HG2 VAL 25 2HG2 VAL 25 -4.987 6.247 -10.386 680 3HG2 VAL 25 3HG2 VAL 25 -5.432 4.796 -9.488 681 H ALA 26 H ALA 26 -2.856 1.720 -11.870 682 HA ALA 26 HA ALA 26 0.028 2.068 -11.991 683 1HB ALA 26 1HB ALA 26 -0.367 -0.574 -12.320 684 2HB ALA 26 2HB ALA 26 -1.987 -0.131 -11.782 685 3HB ALA 26 3HB ALA 26 -0.593 0.207 -10.755 686 H GLU 27 H GLU 27 -2.448 0.759 -14.210 687 HA GLU 27 HA GLU 27 -0.585 0.247 -16.368 688 1HB GLU 27 1HB GLU 27 -3.469 0.127 -15.785 689 2HB GLU 27 2HB GLU 27 -3.102 0.489 -17.472 690 1HG GLU 27 1HG GLU 27 -2.085 -1.549 -17.834 691 2HG GLU 27 2HG GLU 27 -1.543 -1.694 -16.161 692 H GLU 28 H GLU 28 -2.001 3.132 -15.125 693 HA GLU 28 HA GLU 28 -2.135 4.596 -17.650 694 1HB GLU 28 1HB GLU 28 -2.526 5.044 -14.736 695 2HB GLU 28 2HB GLU 28 -2.109 6.470 -15.687 696 1HG GLU 28 1HG GLU 28 -4.258 4.596 -16.644 697 2HG GLU 28 2HG GLU 28 -4.628 5.825 -15.434 698 H ASN 29 H ASN 29 -0.038 4.946 -14.759 699 HA ASN 29 HA ASN 29 1.881 6.647 -16.050 700 1HB ASN 29 1HB ASN 29 1.675 4.992 -13.559 701 2HB ASN 29 2HB ASN 29 3.256 5.637 -14.002 702 1HD2 ASN 29 1HD2 ASN 29 0.078 6.489 -12.792 703 2HD2 ASN 29 2HD2 ASN 29 0.392 8.143 -12.571 704 H GLY 30 H GLY 30 1.421 3.188 -16.034 705 1HA GLY 30 1HA GLY 30 2.485 1.823 -17.759 706 2HA GLY 30 2HA GLY 30 3.870 2.913 -17.712 707 H ARG 31 H ARG 31 2.592 2.089 -14.626 708 HA ARG 31 HA ARG 31 4.863 0.169 -14.227 709 1HB ARG 31 1HB ARG 31 3.478 2.014 -12.253 710 2HB ARG 31 2HB ARG 31 4.927 1.058 -11.946 711 1HG ARG 31 1HG ARG 31 6.015 2.324 -13.874 712 2HG ARG 31 2HG ARG 31 4.624 3.410 -13.824 713 1HD ARG 31 1HD ARG 31 5.124 3.731 -11.335 714 2HD ARG 31 2HD ARG 31 6.673 2.923 -11.645 715 HE ARG 31 HE ARG 31 5.959 5.149 -13.459 716 1HH1 ARG 31 1HH1 ARG 31 8.746 4.226 -13.298 717 2HH1 ARG 31 2HH1 ARG 31 9.478 5.363 -12.216 718 1HH2 ARG 31 1HH2 ARG 31 6.459 6.514 -10.960 719 2HH2 ARG 31 2HH2 ARG 31 8.184 6.659 -10.894 720 H SER 32 H SER 32 4.086 -0.751 -11.709 721 HA SER 32 HA SER 32 1.675 -2.373 -12.383 722 1HB SER 32 1HB SER 32 3.989 -2.702 -10.449 723 2HB SER 32 2HB SER 32 2.641 -3.831 -10.555 724 HG SER 32 HG SER 32 4.775 -3.972 -11.936 725 H VAL 33 H VAL 33 0.627 -3.076 -10.061 726 HA VAL 33 HA VAL 33 -0.443 -0.597 -8.957 727 HB VAL 33 HB VAL 33 -0.858 -3.538 -8.341 728 1HG1 VAL 33 1HG1 VAL 33 -3.083 -1.744 -7.840 729 2HG1 VAL 33 2HG1 VAL 33 -1.671 -1.281 -6.892 730 3HG1 VAL 33 3HG1 VAL 33 -2.328 -2.912 -6.755 731 1HG2 VAL 33 1HG2 VAL 33 -2.089 -1.567 -10.264 732 2HG2 VAL 33 2HG2 VAL 33 -3.007 -2.965 -9.698 733 3HG2 VAL 33 3HG2 VAL 33 -1.498 -3.198 -10.586 734 H ASN 34 H ASN 34 2.132 -2.767 -8.157 735 HA ASN 34 HA ASN 34 2.154 -2.215 -5.274 736 1HB ASN 34 1HB ASN 34 3.091 -4.232 -6.629 737 2HB ASN 34 2HB ASN 34 4.452 -3.172 -6.995 738 1HD2 ASN 34 1HD2 ASN 34 5.815 -4.689 -5.671 739 2HD2 ASN 34 2HD2 ASN 34 5.777 -4.577 -3.979 740 H SER 35 H SER 35 3.613 -0.901 -8.201 741 HA SER 35 HA SER 35 5.437 0.895 -6.778 742 1HB SER 35 1HB SER 35 5.934 -0.006 -9.008 743 2HB SER 35 2HB SER 35 4.458 0.711 -9.649 744 HG SER 35 HG SER 35 6.871 1.813 -9.354 745 H GLU 36 H GLU 36 2.237 1.095 -8.323 746 HA GLU 36 HA GLU 36 1.910 3.936 -8.168 747 1HB GLU 36 1HB GLU 36 0.593 1.745 -9.177 748 2HB GLU 36 2HB GLU 36 -0.446 2.183 -7.820 749 1HG GLU 36 1HG GLU 36 -1.213 3.397 -9.751 750 2HG GLU 36 2HG GLU 36 -0.430 4.544 -8.667 751 H ILE 37 H ILE 37 0.760 1.305 -6.025 752 HA ILE 37 HA ILE 37 -0.329 2.990 -3.982 753 HB ILE 37 HB ILE 37 0.831 0.181 -3.958 754 1HG1 ILE 37 1HG1 ILE 37 -1.056 0.598 -5.545 755 2HG1 ILE 37 2HG1 ILE 37 -1.484 -0.531 -4.260 756 1HG2 ILE 37 1HG2 ILE 37 -1.166 0.332 -2.032 757 2HG2 ILE 37 2HG2 ILE 37 -0.291 1.851 -1.833 758 3HG2 ILE 37 3HG2 ILE 37 0.570 0.315 -1.716 759 1HD1 ILE 37 1HD1 ILE 37 -2.194 2.414 -4.402 760 2HD1 ILE 37 2HD1 ILE 37 -2.483 1.398 -2.989 761 3HD1 ILE 37 3HD1 ILE 37 -3.305 1.048 -4.511 762 H TYR 38 H TYR 38 2.926 1.747 -4.601 763 HA TYR 38 HA TYR 38 4.099 2.391 -2.069 764 1HB TYR 38 1HB TYR 38 5.062 0.866 -3.738 765 2HB TYR 38 2HB TYR 38 5.233 2.202 -4.878 766 HD1 TYR 38 HD1 TYR 38 7.491 2.747 -5.123 767 HD2 TYR 38 HD2 TYR 38 5.921 1.883 -1.205 768 HE1 TYR 38 HE1 TYR 38 9.698 3.332 -4.115 769 HE2 TYR 38 HE2 TYR 38 8.124 2.467 -0.187 770 HH TYR 38 HH TYR 38 10.964 2.821 -2.033 771 H GLN 39 H GLN 39 3.552 4.275 -5.024 772 HA GLN 39 HA GLN 39 5.182 6.540 -4.212 773 1HB GLN 39 1HB GLN 39 3.684 5.613 -6.452 774 2HB GLN 39 2HB GLN 39 3.059 7.210 -6.038 775 1HG GLN 39 1HG GLN 39 4.831 7.824 -7.395 776 2HG GLN 39 2HG GLN 39 5.648 7.784 -5.832 777 1HE2 GLN 39 1HE2 GLN 39 7.721 7.045 -6.499 778 2HE2 GLN 39 2HE2 GLN 39 7.978 5.552 -7.266 779 H ARG 40 H ARG 40 1.669 5.870 -4.209 780 HA ARG 40 HA ARG 40 0.824 8.334 -3.041 781 1HB ARG 40 1HB ARG 40 -0.320 5.524 -2.857 782 2HB ARG 40 2HB ARG 40 -1.217 7.010 -2.545 783 1HG ARG 40 1HG ARG 40 -0.598 7.744 -4.899 784 2HG ARG 40 2HG ARG 40 -0.008 6.104 -5.169 785 1HD ARG 40 1HD ARG 40 -2.302 5.267 -4.460 786 2HD ARG 40 2HD ARG 40 -2.847 6.955 -4.522 787 HE ARG 40 HE ARG 40 -2.333 5.300 -6.824 788 1HH1 ARG 40 1HH1 ARG 40 -3.642 8.172 -6.152 789 2HH1 ARG 40 2HH1 ARG 40 -2.889 9.084 -7.418 790 1HH2 ARG 40 1HH2 ARG 40 -0.609 6.595 -8.213 791 2HH2 ARG 40 2HH2 ARG 40 -1.175 8.189 -8.589 792 H VAL 41 H VAL 41 2.344 5.505 -1.685 793 HA VAL 41 HA VAL 41 1.642 6.182 1.104 794 HB VAL 41 HB VAL 41 3.334 4.079 -0.284 795 1HG1 VAL 41 1HG1 VAL 41 4.283 4.522 1.941 796 2HG1 VAL 41 2HG1 VAL 41 3.466 2.961 1.918 797 3HG1 VAL 41 3HG1 VAL 41 2.684 4.352 2.667 798 1HG2 VAL 41 1HG2 VAL 41 1.035 3.296 1.365 799 2HG2 VAL 41 2HG2 VAL 41 1.458 2.808 -0.276 800 3HG2 VAL 41 3HG2 VAL 41 0.598 4.324 0.002 801 H MET 42 H MET 42 4.286 6.555 -1.167 802 HA MET 42 HA MET 42 6.290 7.309 0.808 803 1HB MET 42 1HB MET 42 6.054 6.675 -1.972 804 2HB MET 42 2HB MET 42 6.854 8.239 -1.844 805 1HG MET 42 1HG MET 42 7.908 6.466 0.164 806 2HG MET 42 2HG MET 42 7.983 5.673 -1.407 807 1HE MET 42 1HE MET 42 8.798 6.567 -3.423 808 2HE MET 42 2HE MET 42 10.291 5.936 -2.732 809 3HE MET 42 3HE MET 42 10.297 7.499 -3.546 810 H GLU 43 H GLU 43 3.737 8.943 -0.899 811 HA GLU 43 HA GLU 43 4.887 11.623 -0.705 812 1HB GLU 43 1HB GLU 43 2.167 10.453 -1.339 813 2HB GLU 43 2HB GLU 43 2.480 12.189 -1.368 814 1HG GLU 43 1HG GLU 43 4.562 10.818 -2.813 815 2HG GLU 43 2HG GLU 43 2.990 10.315 -3.432 816 H SER 44 H SER 44 3.119 9.518 1.419 817 HA SER 44 HA SER 44 1.970 11.637 3.079 818 1HB SER 44 1HB SER 44 1.513 8.971 2.636 819 2HB SER 44 2HB SER 44 2.371 8.917 4.173 820 HG SER 44 HG SER 44 0.725 9.845 5.118 821 H PHE 45 H PHE 45 4.682 9.321 3.423 822 HA PHE 45 HA PHE 45 5.577 10.298 5.974 823 1HB PHE 45 1HB PHE 45 6.904 8.796 3.699 824 2HB PHE 45 2HB PHE 45 7.643 9.015 5.285 825 HD1 PHE 45 HD1 PHE 45 6.008 6.657 3.421 826 HD2 PHE 45 HD2 PHE 45 5.668 8.607 7.256 827 HE1 PHE 45 HE1 PHE 45 4.726 4.707 4.298 828 HE2 PHE 45 HE2 PHE 45 4.385 6.658 8.133 829 HZ PHE 45 HZ PHE 45 3.918 4.706 6.656 830 H LYS 46 H LYS 46 5.801 11.677 2.833 831 HA LYS 46 HA LYS 46 8.357 13.030 3.153 832 1HB LYS 46 1HB LYS 46 6.007 13.059 1.296 833 2HB LYS 46 2HB LYS 46 7.134 14.415 1.231 834 1HG LYS 46 1HG LYS 46 8.106 11.558 1.168 835 2HG LYS 46 2HG LYS 46 7.628 12.401 -0.305 836 1HD LYS 46 1HD LYS 46 9.220 14.281 0.499 837 2HD LYS 46 2HD LYS 46 9.881 13.060 1.586 838 1HE LYS 46 1HE LYS 46 9.928 11.609 -0.664 839 2HE LYS 46 2HE LYS 46 10.046 13.222 -1.394 840 1HZ LYS 46 1HZ LYS 46 11.810 13.738 0.223 841 2HZ LYS 46 2HZ LYS 46 12.242 12.461 -0.812 842 3HZ LYS 46 3HZ LYS 46 11.756 12.137 0.783 843 H LYS 47 H LYS 47 4.952 13.917 3.702 844 HA LYS 47 HA LYS 47 5.245 16.685 4.189 845 1HB LYS 47 1HB LYS 47 3.421 14.481 5.094 846 2HB LYS 47 2HB LYS 47 3.262 16.068 5.849 847 1HG LYS 47 1HG LYS 47 2.666 17.111 3.843 848 2HG LYS 47 2HG LYS 47 3.397 15.845 2.853 849 1HD LYS 47 1HD LYS 47 1.117 15.364 2.647 850 2HD LYS 47 2HD LYS 47 1.600 14.301 3.970 851 1HE LYS 47 1HE LYS 47 0.791 15.930 5.619 852 2HE LYS 47 2HE LYS 47 0.364 17.059 4.318 853 1HZ LYS 47 1HZ LYS 47 -1.600 15.892 4.692 854 2HZ LYS 47 2HZ LYS 47 -0.802 14.409 4.913 855 3HZ LYS 47 3HZ LYS 47 -0.925 15.089 3.360 856 H GLU 48 H GLU 48 5.345 14.019 6.591 857 HA GLU 48 HA GLU 48 6.111 15.700 8.801 858 1HB GLU 48 1HB GLU 48 5.709 12.873 8.142 859 2HB GLU 48 2HB GLU 48 6.991 13.115 9.330 860 1HG GLU 48 1HG GLU 48 5.449 13.475 10.925 861 2HG GLU 48 2HG GLU 48 4.831 14.854 10.014 862 H GLY 49 H GLY 49 8.074 13.228 7.102 863 1HA GLY 49 1HA GLY 49 10.278 14.068 6.151 864 2HA GLY 49 2HA GLY 49 10.475 14.915 7.685 865 H ARG 50 H ARG 50 9.163 11.647 7.335 866 HA ARG 50 HA ARG 50 11.138 10.634 9.260 867 1HB ARG 50 1HB ARG 50 8.530 9.979 8.226 868 2HB ARG 50 2HB ARG 50 9.577 8.568 8.075 869 1HG ARG 50 1HG ARG 50 9.515 8.204 10.297 870 2HG ARG 50 2HG ARG 50 9.996 9.867 10.631 871 1HD ARG 50 1HD ARG 50 7.316 10.023 9.745 872 2HD ARG 50 2HD ARG 50 7.376 8.672 10.891 873 HE ARG 50 HE ARG 50 8.212 11.468 11.498 874 1HH1 ARG 50 1HH1 ARG 50 6.229 9.123 12.616 875 2HH1 ARG 50 2HH1 ARG 50 6.874 9.038 14.222 876 1HH2 ARG 50 1HH2 ARG 50 9.655 10.973 13.493 877 2HH2 ARG 50 2HH2 ARG 50 8.814 10.083 14.717 878 H ILE 51 H ILE 51 10.601 10.556 5.789 879 HA ILE 51 HA ILE 51 12.941 8.706 5.477 880 HB ILE 51 HB ILE 51 11.912 8.287 3.235 881 1HG1 ILE 51 1HG1 ILE 51 9.578 9.924 4.254 882 2HG1 ILE 51 2HG1 ILE 51 10.815 10.602 3.194 883 1HG2 ILE 51 1HG2 ILE 51 9.743 7.973 5.295 884 2HG2 ILE 51 2HG2 ILE 51 11.264 7.100 5.477 885 3HG2 ILE 51 3HG2 ILE 51 10.262 6.838 4.050 886 1HD1 ILE 51 1HD1 ILE 51 10.241 9.183 1.408 887 2HD1 ILE 51 2HD1 ILE 51 8.675 9.602 2.103 888 3HD1 ILE 51 3HD1 ILE 51 9.410 8.039 2.464 889 H GLY 52 H GLY 52 14.293 9.231 3.486 890 1HA GLY 52 1HA GLY 52 14.182 11.818 2.251 891 2HA GLY 52 2HA GLY 52 15.344 11.846 3.579 892 H ALA 53 H ALA 53 14.629 9.096 1.452 893 HA ALA 53 HA ALA 53 17.505 9.138 0.613 894 1HB ALA 53 1HB ALA 53 15.778 6.751 0.217 895 2HB ALA 53 2HB ALA 53 16.075 7.218 1.891 896 3HB ALA 53 3HB ALA 53 17.430 6.851 0.823 Start of MODEL 5 1 1H MET 1 1H MET 1 16.861 -22.044 4.824 2 2H MET 1 2H MET 1 16.144 -23.399 5.556 3 3H MET 1 3H MET 1 16.810 -22.166 6.515 4 HA MET 1 HA MET 1 15.095 -20.663 6.006 5 1HB MET 1 1HB MET 1 13.589 -21.129 4.104 6 2HB MET 1 2HB MET 1 15.274 -21.154 3.583 7 1HG MET 1 1HG MET 1 15.278 -23.635 3.819 8 2HG MET 1 2HG MET 1 13.565 -23.572 4.235 9 1HE MET 1 1HE MET 1 14.337 -25.345 2.538 10 2HE MET 1 2HE MET 1 14.569 -25.091 0.810 11 3HE MET 1 3HE MET 1 12.938 -25.199 1.467 12 H LYS 2 H LYS 2 13.205 -20.766 7.240 13 HA LYS 2 HA LYS 2 11.628 -23.183 7.548 14 1HB LYS 2 1HB LYS 2 14.033 -22.838 9.096 15 2HB LYS 2 2HB LYS 2 12.641 -22.799 10.179 16 1HG LYS 2 1HG LYS 2 12.080 -24.979 9.758 17 2HG LYS 2 2HG LYS 2 12.600 -24.895 8.075 18 1HD LYS 2 1HD LYS 2 14.997 -24.762 8.997 19 2HD LYS 2 2HD LYS 2 14.307 -25.277 10.536 20 1HE LYS 2 1HE LYS 2 13.225 -27.210 9.178 21 2HE LYS 2 2HE LYS 2 14.418 -26.798 7.930 22 1HZ LYS 2 1HZ LYS 2 15.137 -27.186 10.781 23 2HZ LYS 2 2HZ LYS 2 16.185 -27.083 9.448 24 3HZ LYS 2 3HZ LYS 2 15.189 -28.446 9.647 25 H GLY 3 H GLY 3 10.299 -21.120 6.979 26 1HA GLY 3 1HA GLY 3 8.627 -20.386 9.093 27 2HA GLY 3 2HA GLY 3 9.871 -19.137 9.038 28 H MET 4 H MET 4 7.505 -18.116 8.531 29 HA MET 4 HA MET 4 7.005 -18.198 5.592 30 1HB MET 4 1HB MET 4 5.494 -17.033 7.955 31 2HB MET 4 2HB MET 4 4.921 -16.994 6.286 32 1HG MET 4 1HG MET 4 4.270 -19.162 6.345 33 2HG MET 4 2HG MET 4 5.757 -19.670 7.146 34 1HE MET 4 1HE MET 4 6.107 -19.433 9.928 35 2HE MET 4 2HE MET 4 5.673 -20.837 8.957 36 3HE MET 4 3HE MET 4 4.833 -20.531 10.474 37 H SER 5 H SER 5 9.326 -16.770 6.950 38 HA SER 5 HA SER 5 10.422 -14.682 6.780 39 1HB SER 5 1HB SER 5 8.436 -14.131 4.574 40 2HB SER 5 2HB SER 5 10.141 -13.695 4.648 41 HG SER 5 HG SER 5 9.957 -15.467 3.322 42 H LYS 6 H LYS 6 9.817 -12.167 6.550 43 HA LYS 6 HA LYS 6 7.513 -11.706 8.405 44 1HB LYS 6 1HB LYS 6 10.037 -10.141 7.776 45 2HB LYS 6 2HB LYS 6 8.799 -9.609 8.915 46 1HG LYS 6 1HG LYS 6 9.174 -12.018 9.948 47 2HG LYS 6 2HG LYS 6 10.740 -11.881 9.147 48 1HD LYS 6 1HD LYS 6 11.338 -10.822 11.081 49 2HD LYS 6 2HD LYS 6 10.578 -9.431 10.306 50 1HE LYS 6 1HE LYS 6 8.431 -10.798 11.464 51 2HE LYS 6 2HE LYS 6 9.721 -10.893 12.681 52 1HZ LYS 6 1HZ LYS 6 10.100 -8.534 12.451 53 2HZ LYS 6 2HZ LYS 6 8.466 -8.802 12.834 54 3HZ LYS 6 3HZ LYS 6 8.916 -8.418 11.242 55 H MET 7 H MET 7 6.520 -9.432 8.073 56 HA MET 7 HA MET 7 5.297 -7.959 6.698 57 1HB MET 7 1HB MET 7 7.990 -8.305 5.580 58 2HB MET 7 2HB MET 7 6.806 -7.777 4.384 59 1HG MET 7 1HG MET 7 6.481 -5.753 5.399 60 2HG MET 7 2HG MET 7 6.682 -6.422 7.020 61 1HE MET 7 1HE MET 7 8.377 -5.342 8.355 62 2HE MET 7 2HE MET 7 7.853 -4.020 7.314 63 3HE MET 7 3HE MET 7 9.567 -4.235 7.659 64 HA PRO 8 HA PRO 8 2.965 -10.421 3.904 65 1HB PRO 8 1HB PRO 8 1.839 -8.520 2.297 66 2HB PRO 8 2HB PRO 8 1.348 -8.770 3.982 67 1HG PRO 8 1HG PRO 8 3.073 -6.665 2.808 68 2HG PRO 8 2HG PRO 8 1.938 -6.573 4.160 69 1HD PRO 8 1HD PRO 8 4.678 -6.752 4.411 70 2HD PRO 8 2HD PRO 8 3.509 -7.184 5.676 71 H GLN 9 H GLN 9 2.761 -11.003 1.548 72 HA GLN 9 HA GLN 9 5.343 -10.923 0.209 73 1HB GLN 9 1HB GLN 9 2.575 -11.977 -0.390 74 2HB GLN 9 2HB GLN 9 3.874 -12.100 -1.578 75 1HG GLN 9 1HG GLN 9 4.060 -14.129 -0.414 76 2HG GLN 9 2HG GLN 9 5.251 -13.112 0.398 77 1HE2 GLN 9 1HE2 GLN 9 4.902 -12.617 2.614 78 2HE2 GLN 9 2HE2 GLN 9 3.549 -13.148 3.489 79 H PHE 10 H PHE 10 2.605 -8.833 0.224 80 HA PHE 10 HA PHE 10 2.913 -7.839 -2.512 81 1HB PHE 10 1HB PHE 10 0.761 -7.864 -1.332 82 2HB PHE 10 2HB PHE 10 1.428 -6.836 -0.063 83 HD1 PHE 10 HD1 PHE 10 1.602 -4.459 -0.336 84 HD2 PHE 10 HD2 PHE 10 0.565 -6.974 -3.688 85 HE1 PHE 10 HE1 PHE 10 1.036 -2.435 -1.678 86 HE2 PHE 10 HE2 PHE 10 0.001 -4.950 -5.030 87 HZ PHE 10 HZ PHE 10 0.235 -2.682 -4.024 88 H LEU 11 H LEU 11 4.103 -6.976 0.693 89 HA LEU 11 HA LEU 11 5.193 -4.404 -0.288 90 1HB LEU 11 1HB LEU 11 5.006 -5.845 2.361 91 2HB LEU 11 2HB LEU 11 5.932 -4.354 2.181 92 HG LEU 11 HG LEU 11 3.008 -4.667 1.440 93 1HD1 LEU 11 1HD1 LEU 11 4.312 -3.333 3.833 94 2HD1 LEU 11 2HD1 LEU 11 3.339 -4.804 3.874 95 3HD1 LEU 11 3HD1 LEU 11 2.594 -3.263 3.439 96 1HD2 LEU 11 1HD2 LEU 11 3.895 -1.969 1.881 97 2HD2 LEU 11 2HD2 LEU 11 3.251 -2.681 0.403 98 3HD2 LEU 11 3HD2 LEU 11 4.983 -2.741 0.728 99 H ASN 12 H ASN 12 6.203 -7.368 -0.897 100 HA ASN 12 HA ASN 12 8.879 -7.502 0.178 101 1HB ASN 12 1HB ASN 12 7.144 -9.128 -1.207 102 2HB ASN 12 2HB ASN 12 8.338 -8.741 -2.445 103 1HD2 ASN 12 1HD2 ASN 12 7.789 -10.539 0.501 104 2HD2 ASN 12 2HD2 ASN 12 9.341 -11.218 0.611 105 H ARG 13 H ARG 13 7.428 -5.823 -2.524 106 HA ARG 13 HA ARG 13 9.942 -5.319 -3.932 107 1HB ARG 13 1HB ARG 13 7.060 -4.833 -4.209 108 2HB ARG 13 2HB ARG 13 8.045 -3.494 -4.800 109 1HG ARG 13 1HG ARG 13 8.515 -4.661 -6.662 110 2HG ARG 13 2HG ARG 13 9.268 -5.917 -5.679 111 1HD ARG 13 1HD ARG 13 6.538 -6.365 -5.316 112 2HD ARG 13 2HD ARG 13 6.679 -5.955 -7.037 113 HE ARG 13 HE ARG 13 8.810 -7.649 -6.646 114 1HH1 ARG 13 1HH1 ARG 13 6.093 -8.289 -8.019 115 2HH1 ARG 13 2HH1 ARG 13 5.705 -9.786 -7.237 116 1HH2 ARG 13 1HH2 ARG 13 8.044 -9.374 -4.710 117 2HH2 ARG 13 2HH2 ARG 13 6.811 -10.399 -5.364 118 H TRP 14 H TRP 14 8.153 -3.838 -1.354 119 HA TRP 14 HA TRP 14 9.230 -1.160 -1.589 120 1HB TRP 14 1HB TRP 14 7.889 -2.795 0.570 121 2HB TRP 14 2HB TRP 14 8.335 -1.111 0.794 122 HD1 TRP 14 HD1 TRP 14 6.998 -2.406 -2.567 123 HE1 TRP 14 HE1 TRP 14 4.720 -1.289 -3.019 124 HE3 TRP 14 HE3 TRP 14 6.347 -0.011 1.866 125 HZ2 TRP 14 HZ2 TRP 14 2.840 0.417 -1.659 126 HZ3 TRP 14 HZ3 TRP 14 4.301 1.362 2.296 127 HH2 TRP 14 HH2 TRP 14 2.551 1.579 0.532 128 HA PRO 15 HA PRO 15 13.211 -2.056 0.141 129 1HB PRO 15 1HB PRO 15 13.894 0.455 0.987 130 2HB PRO 15 2HB PRO 15 13.934 -0.040 -0.714 131 1HG PRO 15 1HG PRO 15 11.879 1.537 0.751 132 2HG PRO 15 2HG PRO 15 12.493 1.742 -0.896 133 1HD PRO 15 1HD PRO 15 10.103 0.567 -0.324 134 2HD PRO 15 2HD PRO 15 11.067 0.172 -1.764 135 H ARG 16 H ARG 16 14.420 -1.528 2.316 136 HA ARG 16 HA ARG 16 12.630 -2.237 4.498 137 1HB ARG 16 1HB ARG 16 14.592 -3.366 4.761 138 2HB ARG 16 2HB ARG 16 15.474 -2.237 3.752 139 1HG ARG 16 1HG ARG 16 15.995 -0.836 5.528 140 2HG ARG 16 2HG ARG 16 14.664 -1.422 6.524 141 1HD ARG 16 1HD ARG 16 16.266 -2.692 7.555 142 2HD ARG 16 2HD ARG 16 16.162 -3.720 6.111 143 HE ARG 16 HE ARG 16 17.977 -2.265 5.123 144 1HH1 ARG 16 1HH1 ARG 16 17.615 -0.388 7.626 145 2HH1 ARG 16 2HH1 ARG 16 19.111 -0.709 8.435 146 1HH2 ARG 16 1HH2 ARG 16 19.835 -3.528 6.549 147 2HH2 ARG 16 2HH2 ARG 16 20.368 -2.486 7.826 148 H GLU 17 H GLU 17 14.190 0.641 3.272 149 HA GLU 17 HA GLU 17 14.136 2.212 5.680 150 1HB GLU 17 1HB GLU 17 14.406 4.081 4.023 151 2HB GLU 17 2HB GLU 17 15.528 2.749 3.749 152 1HG GLU 17 1HG GLU 17 14.577 2.195 1.760 153 2HG GLU 17 2HG GLU 17 12.942 2.466 2.359 154 H VAL 18 H VAL 18 11.666 1.269 3.422 155 HA VAL 18 HA VAL 18 9.832 3.413 4.388 156 HB VAL 18 HB VAL 18 9.685 1.329 2.180 157 1HG1 VAL 18 1HG1 VAL 18 7.754 3.309 1.741 158 2HG1 VAL 18 2HG1 VAL 18 7.604 2.919 3.454 159 3HG1 VAL 18 3HG1 VAL 18 7.451 1.646 2.243 160 1HG2 VAL 18 1HG2 VAL 18 9.781 3.392 0.741 161 2HG2 VAL 18 2HG2 VAL 18 11.245 3.125 1.685 162 3HG2 VAL 18 3HG2 VAL 18 10.074 4.338 2.200 163 H LEU 19 H LEU 19 9.984 -0.148 4.084 164 HA LEU 19 HA LEU 19 7.540 -0.737 5.414 165 1HB LEU 19 1HB LEU 19 10.156 -2.246 5.173 166 2HB LEU 19 2HB LEU 19 8.635 -2.974 5.689 167 HG LEU 19 HG LEU 19 8.978 -1.524 3.052 168 1HD1 LEU 19 1HD1 LEU 19 9.156 -3.713 2.006 169 2HD1 LEU 19 2HD1 LEU 19 8.978 -4.513 3.568 170 3HD1 LEU 19 3HD1 LEU 19 10.425 -3.565 3.223 171 1HD2 LEU 19 1HD2 LEU 19 6.868 -2.673 2.503 172 2HD2 LEU 19 2HD2 LEU 19 6.672 -1.685 3.951 173 3HD2 LEU 19 3HD2 LEU 19 6.859 -3.432 4.094 174 H ASP 20 H ASP 20 10.685 0.139 6.656 175 HA ASP 20 HA ASP 20 10.262 -0.837 9.361 176 1HB ASP 20 1HB ASP 20 12.460 -0.387 8.217 177 2HB ASP 20 2HB ASP 20 12.106 1.337 8.321 178 H LEU 21 H LEU 21 9.616 2.176 7.650 179 HA LEU 21 HA LEU 21 8.955 3.695 10.062 180 1HB LEU 21 1HB LEU 21 9.888 4.705 8.023 181 2HB LEU 21 2HB LEU 21 8.502 4.139 7.093 182 HG LEU 21 HG LEU 21 7.131 5.467 8.927 183 1HD1 LEU 21 1HD1 LEU 21 8.264 7.351 9.843 184 2HD1 LEU 21 2HD1 LEU 21 9.681 7.085 8.829 185 3HD1 LEU 21 3HD1 LEU 21 9.326 5.978 10.156 186 1HD2 LEU 21 1HD2 LEU 21 7.300 7.483 7.447 187 2HD2 LEU 21 2HD2 LEU 21 7.074 5.980 6.557 188 3HD2 LEU 21 3HD2 LEU 21 8.670 6.722 6.639 189 H VAL 22 H VAL 22 7.090 2.262 7.363 190 HA VAL 22 HA VAL 22 4.481 2.963 8.105 191 HB VAL 22 HB VAL 22 5.442 0.286 7.034 192 1HG1 VAL 22 1HG1 VAL 22 2.945 0.853 7.724 193 2HG1 VAL 22 2HG1 VAL 22 3.290 -0.038 6.242 194 3HG1 VAL 22 3HG1 VAL 22 2.941 1.690 6.172 195 1HG2 VAL 22 1HG2 VAL 22 6.257 1.414 5.256 196 2HG2 VAL 22 2HG2 VAL 22 5.707 2.949 5.933 197 3HG2 VAL 22 3HG2 VAL 22 4.621 1.990 4.927 198 H ARG 23 H ARG 23 6.394 0.146 9.158 199 HA ARG 23 HA ARG 23 4.552 -1.196 10.780 200 1HB ARG 23 1HB ARG 23 6.792 -1.982 10.211 201 2HB ARG 23 2HB ARG 23 7.519 -0.662 11.125 202 1HG ARG 23 1HG ARG 23 6.173 -1.635 13.139 203 2HG ARG 23 2HG ARG 23 6.077 -3.094 12.152 204 1HD ARG 23 1HD ARG 23 8.767 -1.855 12.309 205 2HD ARG 23 2HD ARG 23 8.168 -2.583 13.812 206 HE ARG 23 HE ARG 23 8.119 -4.090 11.223 207 1HH1 ARG 23 1HH1 ARG 23 7.253 -4.649 14.298 208 2HH1 ARG 23 2HH1 ARG 23 8.389 -5.911 14.635 209 1HH2 ARG 23 1HH2 ARG 23 10.264 -5.352 11.772 210 2HH2 ARG 23 2HH2 ARG 23 10.094 -6.310 13.205 211 H LYS 24 H LYS 24 6.984 1.112 12.050 212 HA LYS 24 HA LYS 24 5.979 1.376 14.656 213 1HB LYS 24 1HB LYS 24 7.698 2.841 12.776 214 2HB LYS 24 2HB LYS 24 6.969 3.876 14.005 215 1HG LYS 24 1HG LYS 24 7.756 1.623 15.434 216 2HG LYS 24 2HG LYS 24 9.073 1.870 14.287 217 1HD LYS 24 1HD LYS 24 9.168 4.270 14.983 218 2HD LYS 24 2HD LYS 24 7.950 3.926 16.212 219 1HE LYS 24 1HE LYS 24 9.508 2.149 17.134 220 2HE LYS 24 2HE LYS 24 10.752 2.771 16.031 221 1HZ LYS 24 1HZ LYS 24 9.215 4.487 17.903 222 2HZ LYS 24 2HZ LYS 24 10.571 4.925 16.978 223 3HZ LYS 24 3HZ LYS 24 10.738 3.840 18.275 224 H VAL 25 H VAL 25 4.896 3.014 11.700 225 HA VAL 25 HA VAL 25 3.222 4.978 12.966 226 HB VAL 25 HB VAL 25 3.057 3.630 10.249 227 1HG1 VAL 25 1HG1 VAL 25 1.669 5.364 9.551 228 2HG1 VAL 25 2HG1 VAL 25 2.205 6.446 10.837 229 3HG1 VAL 25 3HG1 VAL 25 1.104 5.118 11.205 230 1HG2 VAL 25 1HG2 VAL 25 4.774 4.953 9.552 231 2HG2 VAL 25 2HG2 VAL 25 5.181 5.024 11.267 232 3HG2 VAL 25 3HG2 VAL 25 4.241 6.321 10.529 233 H ALA 26 H ALA 26 2.628 1.646 11.890 234 HA ALA 26 HA ALA 26 -0.223 1.672 12.251 235 1HB ALA 26 1HB ALA 26 0.497 -0.122 11.001 236 2HB ALA 26 2HB ALA 26 0.488 -0.915 12.576 237 3HB ALA 26 3HB ALA 26 1.996 -0.285 11.913 238 H GLU 27 H GLU 27 2.468 0.657 14.374 239 HA GLU 27 HA GLU 27 0.758 -0.102 16.584 240 1HB GLU 27 1HB GLU 27 3.694 0.579 16.269 241 2HB GLU 27 2HB GLU 27 3.005 -0.005 17.784 242 1HG GLU 27 1HG GLU 27 2.515 -2.113 16.904 243 2HG GLU 27 2HG GLU 27 2.495 -1.524 15.241 244 H GLU 28 H GLU 28 1.812 2.957 15.367 245 HA GLU 28 HA GLU 28 1.785 4.382 17.915 246 1HB GLU 28 1HB GLU 28 2.181 4.884 15.034 247 2HB GLU 28 2HB GLU 28 1.461 6.237 15.910 248 1HG GLU 28 1HG GLU 28 3.443 5.417 17.637 249 2HG GLU 28 2HG GLU 28 4.190 5.151 16.061 250 H ASN 29 H ASN 29 -0.367 4.567 15.047 251 HA ASN 29 HA ASN 29 -2.459 5.988 16.406 252 1HB ASN 29 1HB ASN 29 -2.198 4.353 13.885 253 2HB ASN 29 2HB ASN 29 -3.753 5.042 14.351 254 1HD2 ASN 29 1HD2 ASN 29 -3.171 6.235 12.143 255 2HD2 ASN 29 2HD2 ASN 29 -2.350 7.711 12.312 256 H GLY 30 H GLY 30 -1.606 2.610 16.279 257 1HA GLY 30 1HA GLY 30 -2.495 1.050 17.926 258 2HA GLY 30 2HA GLY 30 -3.981 1.998 17.967 259 H ARG 31 H ARG 31 -2.694 1.467 14.823 260 HA ARG 31 HA ARG 31 -4.800 -0.610 14.333 261 1HB ARG 31 1HB ARG 31 -3.533 1.412 12.454 262 2HB ARG 31 2HB ARG 31 -4.906 0.366 12.089 263 1HG ARG 31 1HG ARG 31 -5.870 1.535 14.304 264 2HG ARG 31 2HG ARG 31 -4.792 2.824 13.769 265 1HD ARG 31 1HD ARG 31 -5.891 2.472 11.428 266 2HD ARG 31 2HD ARG 31 -7.178 1.657 12.339 267 HE ARG 31 HE ARG 31 -6.300 4.309 13.333 268 1HH1 ARG 31 1HH1 ARG 31 -8.846 3.113 14.252 269 2HH1 ARG 31 2HH1 ARG 31 -10.020 3.911 13.263 270 1HH2 ARG 31 1HH2 ARG 31 -7.706 5.019 10.933 271 2HH2 ARG 31 2HH2 ARG 31 -9.378 4.989 11.385 272 H SER 32 H SER 32 -3.824 -1.216 11.707 273 HA SER 32 HA SER 32 -1.333 -2.723 12.399 274 1HB SER 32 1HB SER 32 -3.222 -3.354 10.139 275 2HB SER 32 2HB SER 32 -2.190 -4.451 11.053 276 HG SER 32 HG SER 32 -4.087 -4.790 11.989 277 H VAL 33 H VAL 33 0.030 -3.160 10.341 278 HA VAL 33 HA VAL 33 0.775 -0.645 9.151 279 HB VAL 33 HB VAL 33 1.486 -3.519 8.487 280 1HG1 VAL 33 1HG1 VAL 33 2.072 -1.568 6.868 281 2HG1 VAL 33 2HG1 VAL 33 3.356 -2.678 7.347 282 3HG1 VAL 33 3HG1 VAL 33 3.225 -1.097 8.114 283 1HG2 VAL 33 1HG2 VAL 33 2.608 -1.508 10.458 284 2HG2 VAL 33 2HG2 VAL 33 3.467 -2.974 9.981 285 3HG2 VAL 33 3HG2 VAL 33 1.918 -3.092 10.820 286 H ASN 34 H ASN 34 -1.512 -3.103 8.270 287 HA ASN 34 HA ASN 34 -1.550 -2.480 5.401 288 1HB ASN 34 1HB ASN 34 -2.378 -4.540 7.061 289 2HB ASN 34 2HB ASN 34 -3.899 -3.754 6.639 290 1HD2 ASN 34 1HD2 ASN 34 -3.233 -2.867 3.996 291 2HD2 ASN 34 2HD2 ASN 34 -3.020 -4.234 3.012 292 H SER 35 H SER 35 -3.358 -1.559 8.310 293 HA SER 35 HA SER 35 -5.386 -0.039 6.865 294 1HB SER 35 1HB SER 35 -4.474 -0.065 9.763 295 2HB SER 35 2HB SER 35 -5.959 0.683 9.180 296 HG SER 35 HG SER 35 -6.457 -1.368 9.878 297 H GLU 36 H GLU 36 -2.270 0.658 8.413 298 HA GLU 36 HA GLU 36 -2.425 3.510 8.408 299 1HB GLU 36 1HB GLU 36 -0.714 1.525 9.235 300 2HB GLU 36 2HB GLU 36 0.177 2.210 7.876 301 1HG GLU 36 1HG GLU 36 0.752 3.372 9.958 302 2HG GLU 36 2HG GLU 36 -0.079 4.457 8.849 303 H ILE 37 H ILE 37 -0.934 1.241 6.073 304 HA ILE 37 HA ILE 37 -0.319 3.257 4.102 305 HB ILE 37 HB ILE 37 -0.626 0.245 4.073 306 1HG1 ILE 37 1HG1 ILE 37 1.637 2.223 4.373 307 2HG1 ILE 37 2HG1 ILE 37 1.222 0.861 5.412 308 1HG2 ILE 37 1HG2 ILE 37 -1.017 1.228 1.798 309 2HG2 ILE 37 2HG2 ILE 37 0.457 0.261 1.881 310 3HG2 ILE 37 3HG2 ILE 37 0.556 2.021 1.909 311 1HD1 ILE 37 1HD1 ILE 37 3.226 0.344 4.094 312 2HD1 ILE 37 2HD1 ILE 37 2.345 0.683 2.603 313 3HD1 ILE 37 3HD1 ILE 37 1.891 -0.698 3.601 314 H TYR 38 H TYR 38 -3.218 1.503 4.937 315 HA TYR 38 HA TYR 38 -4.568 1.790 2.383 316 1HB TYR 38 1HB TYR 38 -5.116 0.046 4.005 317 2HB TYR 38 2HB TYR 38 -5.479 1.262 5.231 318 HD1 TYR 38 HD1 TYR 38 -7.760 1.454 5.634 319 HD2 TYR 38 HD2 TYR 38 -6.369 0.819 1.605 320 HE1 TYR 38 HE1 TYR 38 -10.110 1.596 4.804 321 HE2 TYR 38 HE2 TYR 38 -8.715 0.959 0.766 322 HH TYR 38 HH TYR 38 -10.880 1.995 1.543 323 H GLN 39 H GLN 39 -4.226 3.725 5.309 324 HA GLN 39 HA GLN 39 -6.376 5.596 4.631 325 1HB GLN 39 1HB GLN 39 -5.221 4.856 6.916 326 2HB GLN 39 2HB GLN 39 -4.135 6.193 6.534 327 1HG GLN 39 1HG GLN 39 -5.686 7.558 7.443 328 2HG GLN 39 2HG GLN 39 -6.679 7.221 6.023 329 1HE2 GLN 39 1HE2 GLN 39 -8.573 5.973 6.327 330 2HE2 GLN 39 2HE2 GLN 39 -9.014 5.276 7.810 331 H ARG 40 H ARG 40 -2.801 5.648 4.581 332 HA ARG 40 HA ARG 40 -2.469 8.298 3.573 333 1HB ARG 40 1HB ARG 40 -0.823 5.776 3.152 334 2HB ARG 40 2HB ARG 40 -0.235 7.423 2.933 335 1HG ARG 40 1HG ARG 40 -0.774 7.880 5.339 336 2HG ARG 40 2HG ARG 40 -1.198 6.178 5.526 337 1HD ARG 40 1HD ARG 40 1.110 5.559 4.762 338 2HD ARG 40 2HD ARG 40 1.522 7.284 4.741 339 HE ARG 40 HE ARG 40 1.306 5.667 7.117 340 1HH1 ARG 40 1HH1 ARG 40 2.199 8.659 6.164 341 2HH1 ARG 40 2HH1 ARG 40 1.536 9.526 7.510 342 1HH2 ARG 40 1HH2 ARG 40 -0.266 6.817 8.707 343 2HH2 ARG 40 2HH2 ARG 40 0.142 8.482 8.950 344 H VAL 41 H VAL 41 -2.746 5.161 1.922 345 HA VAL 41 HA VAL 41 -2.547 6.173 -0.773 346 HB VAL 41 HB VAL 41 -3.666 3.678 0.532 347 1HG1 VAL 41 1HG1 VAL 41 -3.400 2.670 -1.779 348 2HG1 VAL 41 2HG1 VAL 41 -3.250 4.315 -2.399 349 3HG1 VAL 41 3HG1 VAL 41 -4.743 3.801 -1.613 350 1HG2 VAL 41 1HG2 VAL 41 -1.555 2.772 0.245 351 2HG2 VAL 41 2HG2 VAL 41 -1.130 4.465 0.492 352 3HG2 VAL 41 3HG2 VAL 41 -1.189 3.801 -1.140 353 H MET 42 H MET 42 -5.152 5.934 1.540 354 HA MET 42 HA MET 42 -7.361 6.067 -0.320 355 1HB MET 42 1HB MET 42 -6.835 5.914 2.500 356 2HB MET 42 2HB MET 42 -8.016 7.185 2.214 357 1HG MET 42 1HG MET 42 -9.104 5.384 0.613 358 2HG MET 42 2HG MET 42 -8.213 4.252 1.630 359 1HE MET 42 1HE MET 42 -11.790 6.872 2.634 360 2HE MET 42 2HE MET 42 -11.420 6.051 1.119 361 3HE MET 42 3HE MET 42 -10.420 7.397 1.649 362 H GLU 43 H GLU 43 -6.270 8.573 2.002 363 HA GLU 43 HA GLU 43 -7.687 10.739 0.896 364 1HB GLU 43 1HB GLU 43 -6.023 12.088 2.138 365 2HB GLU 43 2HB GLU 43 -6.534 10.685 3.078 366 1HG GLU 43 1HG GLU 43 -4.507 9.470 2.094 367 2HG GLU 43 2HG GLU 43 -3.956 11.053 1.543 368 H SER 44 H SER 44 -4.578 9.367 -0.112 369 HA SER 44 HA SER 44 -3.500 11.407 -1.691 370 1HB SER 44 1HB SER 44 -3.010 8.769 -1.195 371 2HB SER 44 2HB SER 44 -3.532 8.690 -2.875 372 HG SER 44 HG SER 44 -1.686 9.519 -3.406 373 H PHE 45 H PHE 45 -5.731 8.862 -2.889 374 HA PHE 45 HA PHE 45 -6.129 9.975 -5.478 375 1HB PHE 45 1HB PHE 45 -7.726 8.172 -3.649 376 2HB PHE 45 2HB PHE 45 -8.223 8.507 -5.307 377 HD1 PHE 45 HD1 PHE 45 -6.776 6.042 -3.485 378 HD2 PHE 45 HD2 PHE 45 -5.847 8.516 -6.899 379 HE1 PHE 45 HE1 PHE 45 -5.225 4.286 -4.334 380 HE2 PHE 45 HE2 PHE 45 -4.292 6.761 -7.747 381 HZ PHE 45 HZ PHE 45 -3.988 4.642 -6.470 382 H LYS 46 H LYS 46 -7.917 10.450 -2.428 383 HA LYS 46 HA LYS 46 -10.130 11.905 -3.426 384 1HB LYS 46 1HB LYS 46 -9.874 10.995 -1.145 385 2HB LYS 46 2HB LYS 46 -8.608 12.178 -0.815 386 1HG LYS 46 1HG LYS 46 -10.220 14.010 -1.210 387 2HG LYS 46 2HG LYS 46 -11.480 12.822 -1.513 388 1HD LYS 46 1HD LYS 46 -10.010 12.431 1.015 389 2HD LYS 46 2HD LYS 46 -10.970 13.909 0.940 390 1HE LYS 46 1HE LYS 46 -12.990 12.723 0.604 391 2HE LYS 46 2HE LYS 46 -12.140 11.242 0.123 392 1HZ LYS 46 1HZ LYS 46 -12.950 11.272 2.483 393 2HZ LYS 46 2HZ LYS 46 -11.820 12.502 2.790 394 3HZ LYS 46 3HZ LYS 46 -11.300 10.961 2.300 395 H LYS 47 H LYS 47 -6.805 12.872 -3.165 396 HA LYS 47 HA LYS 47 -7.363 15.749 -3.107 397 1HB LYS 47 1HB LYS 47 -4.963 13.946 -3.330 398 2HB LYS 47 2HB LYS 47 -4.794 15.679 -3.616 399 1HG LYS 47 1HG LYS 47 -6.042 15.979 -1.373 400 2HG LYS 47 2HG LYS 47 -5.677 14.277 -1.094 401 1HD LYS 47 1HD LYS 47 -3.404 14.649 -0.911 402 2HD LYS 47 2HD LYS 47 -3.443 16.058 -1.973 403 1HE LYS 47 1HE LYS 47 -4.433 17.426 -0.227 404 2HE LYS 47 2HE LYS 47 -4.616 16.013 0.831 405 1HZ LYS 47 1HZ LYS 47 -2.330 15.774 1.049 406 2HZ LYS 47 2HZ LYS 47 -2.530 17.459 1.112 407 3HZ LYS 47 3HZ LYS 47 -1.987 16.719 -0.318 408 H GLU 48 H GLU 48 -6.102 13.436 -5.542 409 HA GLU 48 HA GLU 48 -5.774 15.273 -7.682 410 1HB GLU 48 1HB GLU 48 -5.168 12.744 -7.341 411 2HB GLU 48 2HB GLU 48 -6.756 12.451 -8.052 412 1HG GLU 48 1HG GLU 48 -6.068 13.058 -10.124 413 2HG GLU 48 2HG GLU 48 -5.169 14.446 -9.513 414 H GLY 49 H GLY 49 -8.623 13.307 -6.776 415 1HA GLY 49 1HA GLY 49 -10.820 14.543 -6.995 416 2HA GLY 49 2HA GLY 49 -10.250 15.053 -8.582 417 H ARG 50 H ARG 50 -9.285 11.862 -7.883 418 HA ARG 50 HA ARG 50 -10.980 10.775 -9.969 419 1HB ARG 50 1HB ARG 50 -9.092 9.609 -7.908 420 2HB ARG 50 2HB ARG 50 -9.868 8.637 -9.159 421 1HG ARG 50 1HG ARG 50 -8.651 11.053 -10.254 422 2HG ARG 50 2HG ARG 50 -7.472 10.035 -9.427 423 1HD ARG 50 1HD ARG 50 -7.554 8.458 -11.062 424 2HD ARG 50 2HD ARG 50 -9.328 8.485 -11.095 425 HE ARG 50 HE ARG 50 -8.426 10.936 -12.197 426 1HH1 ARG 50 1HH1 ARG 50 -10.190 8.649 -13.392 427 2HH1 ARG 50 2HH1 ARG 50 -9.330 8.354 -14.864 428 1HH2 ARG 50 1HH2 ARG 50 -6.500 10.092 -13.869 429 2HH2 ARG 50 2HH2 ARG 50 -7.241 9.170 -15.136 430 H ILE 51 H ILE 51 -10.780 10.188 -6.435 431 HA ILE 51 HA ILE 51 -13.530 9.009 -6.546 432 HB ILE 51 HB ILE 51 -12.850 8.087 -4.319 433 1HG1 ILE 51 1HG1 ILE 51 -10.060 9.063 -4.879 434 2HG1 ILE 51 2HG1 ILE 51 -11.200 10.118 -4.035 435 1HG2 ILE 51 1HG2 ILE 51 -12.420 6.773 -6.334 436 2HG2 ILE 51 2HG2 ILE 51 -11.080 6.576 -5.204 437 3HG2 ILE 51 3HG2 ILE 51 -10.900 7.640 -6.601 438 1HD1 ILE 51 1HD1 ILE 51 -10.870 8.980 -2.123 439 2HD1 ILE 51 2HD1 ILE 51 -9.685 7.972 -2.946 440 3HD1 ILE 51 3HD1 ILE 51 -11.380 7.483 -2.907 441 H GLY 52 H GLY 52 -14.370 9.426 -3.960 442 1HA GLY 52 1HA GLY 52 -14.020 11.806 -2.630 443 2HA GLY 52 2HA GLY 52 -15.030 12.274 -4.000 444 H ALA 53 H ALA 53 -14.910 9.706 -1.505 445 HA ALA 53 HA ALA 53 -17.710 10.275 -0.768 446 1HB ALA 53 1HB ALA 53 -18.480 8.840 -2.355 447 2HB ALA 53 2HB ALA 53 -17.860 7.565 -1.307 448 3HB ALA 53 3HB ALA 53 -16.870 8.168 -2.641 449 1H MET 1 1H MET 1 -14.880 -23.208 -5.738 450 2H MET 1 2H MET 1 -14.050 -24.460 -6.531 451 3H MET 1 3H MET 1 -14.830 -23.247 -7.433 452 HA MET 1 HA MET 1 -13.250 -21.627 -6.866 453 1HB MET 1 1HB MET 1 -11.710 -22.028 -4.973 454 2HB MET 1 2HB MET 1 -13.390 -22.225 -4.461 455 1HG MET 1 1HG MET 1 -13.170 -24.684 -4.793 456 2HG MET 1 2HG MET 1 -11.470 -24.452 -5.203 457 1HE MET 1 1HE MET 1 -12.090 -26.351 -3.579 458 2HE MET 1 2HE MET 1 -12.330 -26.187 -1.841 459 3HE MET 1 3HE MET 1 -10.700 -26.131 -2.507 460 H LYS 2 H LYS 2 -11.360 -21.517 -8.098 461 HA LYS 2 HA LYS 2 -9.577 -23.774 -8.487 462 1HB LYS 2 1HB LYS 2 -12.000 -23.577 -10.035 463 2HB LYS 2 2HB LYS 2 -10.610 -23.379 -11.106 464 1HG LYS 2 1HG LYS 2 -9.871 -25.518 -10.766 465 2HG LYS 2 2HG LYS 2 -10.390 -25.541 -9.082 466 1HD LYS 2 1HD LYS 2 -12.790 -25.583 -10.003 467 2HD LYS 2 2HD LYS 2 -12.060 -25.974 -11.560 468 1HE LYS 2 1HE LYS 2 -10.810 -27.855 -10.267 469 2HE LYS 2 2HE LYS 2 -12.040 -27.602 -9.017 470 1HZ LYS 2 1HZ LYS 2 -12.700 -27.938 -11.890 471 2HZ LYS 2 2HZ LYS 2 -13.770 -27.989 -10.564 472 3HZ LYS 2 3HZ LYS 2 -12.650 -29.244 -10.810 473 H GLY 3 H GLY 3 -8.430 -21.631 -7.832 474 1HA GLY 3 1HA GLY 3 -6.825 -20.670 -9.907 475 2HA GLY 3 2HA GLY 3 -8.175 -19.537 -9.812 476 H MET 4 H MET 4 -5.905 -18.337 -9.256 477 HA MET 4 HA MET 4 -5.403 -18.485 -6.320 478 1HB MET 4 1HB MET 4 -4.002 -17.105 -8.633 479 2HB MET 4 2HB MET 4 -3.435 -17.075 -6.963 480 1HG MET 4 1HG MET 4 -2.595 -19.173 -7.095 481 2HG MET 4 2HG MET 4 -4.030 -19.782 -7.920 482 1HE MET 4 1HE MET 4 -4.402 -19.460 -10.686 483 2HE MET 4 2HE MET 4 -3.843 -20.865 -9.783 484 3HE MET 4 3HE MET 4 -3.039 -20.417 -11.285 485 H SER 5 H SER 5 -7.842 -17.215 -7.626 486 HA SER 5 HA SER 5 -9.114 -15.236 -7.382 487 1HB SER 5 1HB SER 5 -7.184 -14.599 -5.152 488 2HB SER 5 2HB SER 5 -8.921 -14.310 -5.213 489 HG SER 5 HG SER 5 -8.575 -16.107 -3.953 490 H LYS 6 H LYS 6 -8.728 -12.689 -7.057 491 HA LYS 6 HA LYS 6 -6.471 -11.961 -8.883 492 1HB LYS 6 1HB LYS 6 -9.120 -10.645 -8.202 493 2HB LYS 6 2HB LYS 6 -7.934 -9.966 -9.317 494 1HG LYS 6 1HG LYS 6 -8.097 -12.355 -10.443 495 2HG LYS 6 2HG LYS 6 -9.669 -12.387 -9.641 496 1HD LYS 6 1HD LYS 6 -10.350 -11.312 -11.538 497 2HD LYS 6 2HD LYS 6 -9.726 -9.889 -10.704 498 1HE LYS 6 1HE LYS 6 -7.461 -11.007 -11.900 499 2HE LYS 6 2HE LYS 6 -8.732 -11.177 -13.126 500 1HZ LYS 6 1HZ LYS 6 -9.330 -8.873 -12.811 501 2HZ LYS 6 2HZ LYS 6 -7.680 -8.975 -13.200 502 3HZ LYS 6 3HZ LYS 6 -8.160 -8.694 -11.595 503 H MET 7 H MET 7 -5.686 -9.620 -8.459 504 HA MET 7 HA MET 7 -4.593 -8.102 -7.023 505 1HB MET 7 1HB MET 7 -7.246 -8.726 -5.930 506 2HB MET 7 2HB MET 7 -6.113 -8.149 -4.708 507 1HG MET 7 1HG MET 7 -5.968 -6.063 -5.634 508 2HG MET 7 2HG MET 7 -6.104 -6.676 -7.282 509 1HE MET 7 1HE MET 7 -7.888 -5.699 -8.584 510 2HE MET 7 2HE MET 7 -7.483 -4.381 -7.487 511 3HE MET 7 3HE MET 7 -9.172 -4.730 -7.848 512 HA PRO 8 HA PRO 8 -2.061 -10.462 -4.316 513 1HB PRO 8 1HB PRO 8 -1.102 -8.534 -2.633 514 2HB PRO 8 2HB PRO 8 -0.590 -8.677 -4.325 515 1HG PRO 8 1HG PRO 8 -2.488 -6.771 -3.078 516 2HG PRO 8 2HG PRO 8 -1.368 -6.534 -4.426 517 1HD PRO 8 1HD PRO 8 -4.087 -6.939 -4.679 518 2HD PRO 8 2HD PRO 8 -2.890 -7.214 -5.961 519 H GLN 9 H GLN 9 -1.809 -11.116 -1.985 520 HA GLN 9 HA GLN 9 -4.387 -11.308 -0.651 521 1HB GLN 9 1HB GLN 9 -1.540 -12.144 -0.083 522 2HB GLN 9 2HB GLN 9 -2.826 -12.426 1.092 523 1HG GLN 9 1HG GLN 9 -2.836 -14.414 -0.150 524 2HG GLN 9 2HG GLN 9 -4.108 -13.472 -0.927 525 1HE2 GLN 9 1HE2 GLN 9 -3.801 -12.865 -3.121 526 2HE2 GLN 9 2HE2 GLN 9 -2.407 -13.243 -4.011 527 H PHE 10 H PHE 10 -1.835 -8.993 -0.572 528 HA PHE 10 HA PHE 10 -2.236 -8.140 2.200 529 1HB PHE 10 1HB PHE 10 -0.083 -7.935 1.043 530 2HB PHE 10 2HB PHE 10 -0.825 -6.922 -0.197 531 HD1 PHE 10 HD1 PHE 10 -1.225 -4.581 0.164 532 HD2 PHE 10 HD2 PHE 10 0.041 -7.114 3.424 533 HE1 PHE 10 HE1 PHE 10 -0.844 -2.565 1.581 534 HE2 PHE 10 HE2 PHE 10 0.420 -5.097 4.841 535 HZ PHE 10 HZ PHE 10 -0.021 -2.824 3.920 536 H LEU 11 H LEU 11 -3.493 -7.261 -0.974 537 HA LEU 11 HA LEU 11 -4.799 -4.827 0.101 538 1HB LEU 11 1HB LEU 11 -4.487 -6.142 -2.602 539 2HB LEU 11 2HB LEU 11 -5.539 -4.745 -2.367 540 HG LEU 11 HG LEU 11 -2.599 -4.829 -1.633 541 1HD1 LEU 11 1HD1 LEU 11 -4.022 -3.527 -3.974 542 2HD1 LEU 11 2HD1 LEU 11 -2.920 -4.900 -4.070 543 3HD1 LEU 11 3HD1 LEU 11 -2.316 -3.316 -3.576 544 1HD2 LEU 11 1HD2 LEU 11 -3.723 -2.206 -1.972 545 2HD2 LEU 11 2HD2 LEU 11 -3.012 -2.913 -0.521 546 3HD2 LEU 11 3HD2 LEU 11 -4.733 -3.115 -0.847 547 H ASN 12 H ASN 12 -5.549 -7.885 0.596 548 HA ASN 12 HA ASN 12 -8.201 -8.207 -0.505 549 1HB ASN 12 1HB ASN 12 -6.332 -9.734 0.819 550 2HB ASN 12 2HB ASN 12 -7.555 -9.504 2.069 551 1HD2 ASN 12 1HD2 ASN 12 -6.847 -11.142 -0.928 552 2HD2 ASN 12 2HD2 ASN 12 -8.339 -11.939 -1.079 553 H ARG 13 H ARG 13 -6.908 -6.516 2.269 554 HA ARG 13 HA ARG 13 -9.458 -6.299 3.687 555 1HB ARG 13 1HB ARG 13 -6.633 -5.566 3.991 556 2HB ARG 13 2HB ARG 13 -7.733 -4.345 4.631 557 1HG ARG 13 1HG ARG 13 -8.090 -5.623 6.446 558 2HG ARG 13 2HG ARG 13 -8.733 -6.901 5.413 559 1HD ARG 13 1HD ARG 13 -5.978 -7.096 5.032 560 2HD ARG 13 2HD ARG 13 -6.145 -6.761 6.766 561 HE ARG 13 HE ARG 13 -8.122 -8.621 6.317 562 1HH1 ARG 13 1HH1 ARG 13 -5.366 -9.073 7.680 563 2HH1 ARG 13 2HH1 ARG 13 -4.846 -10.497 6.845 564 1HH2 ARG 13 1HH2 ARG 13 -7.202 -10.198 4.318 565 2HH2 ARG 13 2HH2 ARG 13 -5.884 -11.135 4.941 566 H TRP 14 H TRP 14 -7.800 -4.558 1.185 567 HA TRP 14 HA TRP 14 -9.110 -1.997 1.508 568 1HB TRP 14 1HB TRP 14 -7.634 -3.433 -0.702 569 2HB TRP 14 2HB TRP 14 -8.222 -1.786 -0.867 570 HD1 TRP 14 HD1 TRP 14 -6.775 -3.095 2.446 571 HE1 TRP 14 HE1 TRP 14 -4.602 -1.803 2.947 572 HE3 TRP 14 HE3 TRP 14 -6.341 -0.472 -1.886 573 HZ2 TRP 14 HZ2 TRP 14 -2.878 0.114 1.660 574 HZ3 TRP 14 HZ3 TRP 14 -4.422 1.089 -2.254 575 HH2 TRP 14 HH2 TRP 14 -2.695 1.384 -0.481 576 HA PRO 15 HA PRO 15 -12.990 -3.167 -0.274 577 1HB PRO 15 1HB PRO 15 -13.890 -0.694 -1.029 578 2HB PRO 15 2HB PRO 15 -13.890 -1.256 0.653 579 1HG PRO 15 1HG PRO 15 -11.970 0.547 -0.742 580 2HG PRO 15 2HG PRO 15 -12.610 0.636 0.909 581 1HD PRO 15 1HD PRO 15 -10.120 -0.307 0.310 582 2HD PRO 15 2HD PRO 15 -11.060 -0.839 1.727 583 H ARG 16 H ARG 16 -14.240 -2.658 -2.434 584 HA ARG 16 HA ARG 16 -12.390 -3.123 -4.630 585 1HB ARG 16 1HB ARG 16 -14.230 -4.412 -4.962 586 2HB ARG 16 2HB ARG 16 -15.210 -3.425 -3.896 587 1HG ARG 16 1HG ARG 16 -15.870 -1.992 -5.598 588 2HG ARG 16 2HG ARG 16 -14.500 -2.400 -6.624 589 1HD ARG 16 1HD ARG 16 -15.970 -3.774 -7.714 590 2HD ARG 16 2HD ARG 16 -15.780 -4.846 -6.311 591 HE ARG 16 HE ARG 16 -17.720 -3.597 -5.276 592 1HH1 ARG 16 1HH1 ARG 16 -17.510 -1.602 -7.709 593 2HH1 ARG 16 2HH1 ARG 16 -18.980 -2.020 -8.537 594 1HH2 ARG 16 1HH2 ARG 16 -19.460 -4.955 -6.755 595 2HH2 ARG 16 2HH2 ARG 16 -20.080 -3.918 -7.996 596 H GLU 17 H GLU 17 -14.200 -0.446 -3.302 597 HA GLU 17 HA GLU 17 -14.280 1.218 -5.647 598 1HB GLU 17 1HB GLU 17 -14.700 2.992 -3.918 599 2HB GLU 17 2HB GLU 17 -15.710 1.561 -3.697 600 1HG GLU 17 1HG GLU 17 -14.700 1.001 -1.734 601 2HG GLU 17 2HG GLU 17 -13.100 1.448 -2.319 602 H VAL 18 H VAL 18 -11.740 0.417 -3.404 603 HA VAL 18 HA VAL 18 -10.100 2.737 -4.289 604 HB VAL 18 HB VAL 18 -9.778 0.590 -2.163 605 1HG1 VAL 18 1HG1 VAL 18 -8.023 2.708 -1.640 606 2HG1 VAL 18 2HG1 VAL 18 -7.841 2.399 -3.367 607 3HG1 VAL 18 3HG1 VAL 18 -7.578 1.098 -2.206 608 1HG2 VAL 18 1HG2 VAL 18 -10.040 2.583 -0.647 609 2HG2 VAL 18 2HG2 VAL 18 -11.480 2.225 -1.601 610 3HG2 VAL 18 3HG2 VAL 18 -10.420 3.552 -2.071 611 H LEU 19 H LEU 19 -9.935 -0.834 -4.116 612 HA LEU 19 HA LEU 19 -7.451 -1.153 -5.464 613 1HB LEU 19 1HB LEU 19 -9.926 -2.895 -5.296 614 2HB LEU 19 2HB LEU 19 -8.347 -3.464 -5.833 615 HG LEU 19 HG LEU 19 -8.819 -2.161 -3.140 616 1HD1 LEU 19 1HD1 LEU 19 -8.803 -4.401 -2.189 617 2HD1 LEU 19 2HD1 LEU 19 -8.559 -5.113 -3.785 618 3HD1 LEU 19 3HD1 LEU 19 -10.080 -4.309 -3.401 619 1HD2 LEU 19 1HD2 LEU 19 -6.617 -3.130 -2.626 620 2HD2 LEU 19 2HD2 LEU 19 -6.505 -2.087 -4.043 621 3HD2 LEU 19 3HD2 LEU 19 -6.539 -3.839 -4.239 622 H ASP 20 H ASP 20 -10.660 -0.513 -6.683 623 HA ASP 20 HA ASP 20 -10.150 -1.337 -9.422 624 1HB ASP 20 1HB ASP 20 -12.380 -1.121 -8.269 625 2HB ASP 20 2HB ASP 20 -12.180 0.631 -8.312 626 H LEU 21 H LEU 21 -9.769 1.652 -7.594 627 HA LEU 21 HA LEU 21 -9.246 3.316 -9.944 628 1HB LEU 21 1HB LEU 21 -10.250 4.154 -7.860 629 2HB LEU 21 2HB LEU 21 -8.818 3.680 -6.959 630 HG LEU 21 HG LEU 21 -7.585 5.199 -8.739 631 1HD1 LEU 21 1HD1 LEU 21 -8.889 7.004 -9.584 632 2HD1 LEU 21 2HD1 LEU 21 -10.270 6.571 -8.581 633 3HD1 LEU 21 3HD1 LEU 21 -9.821 5.552 -9.950 634 1HD2 LEU 21 1HD2 LEU 21 -7.946 7.135 -7.184 635 2HD2 LEU 21 2HD2 LEU 21 -7.567 5.627 -6.353 636 3HD2 LEU 21 3HD2 LEU 21 -9.229 6.210 -6.404 637 H VAL 22 H VAL 22 -7.261 1.964 -7.292 638 HA VAL 22 HA VAL 22 -4.718 2.899 -7.998 639 HB VAL 22 HB VAL 22 -5.458 0.114 -7.034 640 1HG1 VAL 22 1HG1 VAL 22 -3.013 0.908 -7.683 641 2HG1 VAL 22 2HG1 VAL 22 -3.290 -0.059 -6.236 642 3HG1 VAL 22 3HG1 VAL 22 -3.085 1.687 -6.101 643 1HG2 VAL 22 1HG2 VAL 22 -6.370 1.101 -5.221 644 2HG2 VAL 22 2HG2 VAL 22 -5.953 2.700 -5.839 645 3HG2 VAL 22 3HG2 VAL 22 -4.790 1.804 -4.861 646 H ARG 23 H ARG 23 -6.391 -0.020 -9.173 647 HA ARG 23 HA ARG 23 -4.431 -1.141 -10.830 648 1HB ARG 23 1HB ARG 23 -6.589 -2.147 -10.302 649 2HB ARG 23 2HB ARG 23 -7.435 -0.861 -11.162 650 1HG ARG 23 1HG ARG 23 -6.007 -1.628 -13.213 651 2HG ARG 23 2HG ARG 23 -5.786 -3.113 -12.284 652 1HD ARG 23 1HD ARG 23 -8.575 -2.101 -12.407 653 2HD ARG 23 2HD ARG 23 -7.909 -2.720 -13.933 654 HE ARG 23 HE ARG 23 -7.744 -4.313 -11.402 655 1HH1 ARG 23 1HH1 ARG 23 -6.820 -4.677 -14.489 656 2HH1 ARG 23 2HH1 ARG 23 -7.841 -6.021 -14.881 657 1HH2 ARG 23 1HH2 ARG 23 -9.768 -5.736 -12.013 658 2HH2 ARG 23 2HH2 ARG 23 -9.509 -6.619 -13.480 659 H LYS 24 H LYS 24 -7.053 0.999 -12.018 660 HA LYS 24 HA LYS 24 -6.073 1.444 -14.609 661 1HB LYS 24 1HB LYS 24 -7.913 2.684 -12.682 662 2HB LYS 24 2HB LYS 24 -7.276 3.821 -13.870 663 1HG LYS 24 1HG LYS 24 -7.864 1.563 -15.383 664 2HG LYS 24 2HG LYS 24 -9.199 1.652 -14.233 665 1HD LYS 24 1HD LYS 24 -9.500 4.059 -14.842 666 2HD LYS 24 2HD LYS 24 -8.255 3.866 -16.076 667 1HE LYS 24 1HE LYS 24 -9.650 1.997 -17.072 668 2HE LYS 24 2HE LYS 24 -10.940 2.464 -15.949 669 1HZ LYS 24 1HZ LYS 24 -9.565 4.382 -17.747 670 2HZ LYS 24 2HZ LYS 24 -10.950 4.659 -16.814 671 3HZ LYS 24 3HZ LYS 24 -11.020 3.615 -18.153 672 H VAL 25 H VAL 25 -5.138 3.050 -11.588 673 HA VAL 25 HA VAL 25 -3.639 5.199 -12.770 674 HB VAL 25 HB VAL 25 -3.365 3.769 -10.104 675 1HG1 VAL 25 1HG1 VAL 25 -2.133 5.587 -9.334 676 2HG1 VAL 25 2HG1 VAL 25 -2.763 6.669 -10.576 677 3HG1 VAL 25 3HG1 VAL 25 -1.549 5.459 -10.995 678 1HG2 VAL 25 1HG2 VAL 25 -5.199 4.903 -9.375 679 2HG2 VAL 25 2HG2 VAL 25 -5.598 5.019 -11.089 680 3HG2 VAL 25 3HG2 VAL 25 -4.777 6.355 -10.282 681 H ALA 26 H ALA 26 -2.762 1.889 -11.829 682 HA ALA 26 HA ALA 26 0.079 2.182 -12.174 683 1HB ALA 26 1HB ALA 26 -0.488 0.287 -10.992 684 2HB ALA 26 2HB ALA 26 -0.387 -0.442 -12.594 685 3HB ALA 26 3HB ALA 26 -1.956 0.016 -11.929 686 H GLU 27 H GLU 27 -2.515 1.022 -14.344 687 HA GLU 27 HA GLU 27 -0.745 0.498 -16.574 688 1HB GLU 27 1HB GLU 27 -3.728 0.913 -16.248 689 2HB GLU 27 2HB GLU 27 -2.987 0.448 -17.781 690 1HG GLU 27 1HG GLU 27 -2.326 -1.644 -16.983 691 2HG GLU 27 2HG GLU 27 -2.353 -1.121 -15.299 692 H GLU 28 H GLU 28 -2.071 3.406 -15.249 693 HA GLU 28 HA GLU 28 -2.158 4.925 -17.740 694 1HB GLU 28 1HB GLU 28 -2.592 5.287 -14.841 695 2HB GLU 28 2HB GLU 28 -1.993 6.726 -15.668 696 1HG GLU 28 1HG GLU 28 -3.901 5.808 -17.427 697 2HG GLU 28 2HG GLU 28 -4.617 5.411 -15.864 698 H ASN 29 H ASN 29 -0.036 5.192 -14.857 699 HA ASN 29 HA ASN 29 1.929 6.835 -16.147 700 1HB ASN 29 1HB ASN 29 1.793 5.088 -13.691 701 2HB ASN 29 2HB ASN 29 3.291 5.916 -14.120 702 1HD2 ASN 29 1HD2 ASN 29 2.606 6.978 -11.876 703 2HD2 ASN 29 2HD2 ASN 29 1.670 8.388 -11.996 704 H GLY 30 H GLY 30 1.374 3.393 -16.158 705 1HA GLY 30 1HA GLY 30 2.404 1.984 -17.858 706 2HA GLY 30 2HA GLY 30 3.801 3.061 -17.852 707 H ARG 31 H ARG 31 2.554 2.292 -14.740 708 HA ARG 31 HA ARG 31 4.834 0.391 -14.320 709 1HB ARG 31 1HB ARG 31 3.396 2.224 -12.373 710 2HB ARG 31 2HB ARG 31 4.851 1.287 -12.038 711 1HG ARG 31 1HG ARG 31 5.714 2.614 -14.208 712 2HG ARG 31 2HG ARG 31 4.530 3.786 -13.628 713 1HD ARG 31 1HD ARG 31 5.657 3.434 -11.297 714 2HD ARG 31 2HD ARG 31 7.009 2.774 -12.240 715 HE ARG 31 HE ARG 31 5.900 5.378 -13.122 716 1HH1 ARG 31 1HH1 ARG 31 8.541 4.440 -14.081 717 2HH1 ARG 31 2HH1 ARG 31 9.645 5.298 -13.058 718 1HH2 ARG 31 1HH2 ARG 31 7.240 6.111 -10.696 719 2HH2 ARG 31 2HH2 ARG 31 8.908 6.244 -11.141 720 H SER 32 H SER 32 3.918 -0.404 -11.727 721 HA SER 32 HA SER 32 1.569 -2.096 -12.486 722 1HB SER 32 1HB SER 32 3.495 -2.641 -10.237 723 2HB SER 32 2HB SER 32 2.573 -3.790 -11.201 724 HG SER 32 HG SER 32 4.487 -3.923 -12.143 725 H VAL 33 H VAL 33 0.242 -2.725 -10.456 726 HA VAL 33 HA VAL 33 -0.728 -0.335 -9.176 727 HB VAL 33 HB VAL 33 -1.175 -3.286 -8.623 728 1HG1 VAL 33 1HG1 VAL 33 -1.935 -1.471 -6.926 729 2HG1 VAL 33 2HG1 VAL 33 -3.120 -2.661 -7.463 730 3HG1 VAL 33 3HG1 VAL 33 -3.121 -1.040 -8.157 731 1HG2 VAL 33 1HG2 VAL 33 -2.476 -1.309 -10.519 732 2HG2 VAL 33 2HG2 VAL 33 -3.198 -2.864 -10.101 733 3HG2 VAL 33 3HG2 VAL 33 -1.647 -2.806 -10.941 734 H ASN 34 H ASN 34 1.754 -2.630 -8.370 735 HA ASN 34 HA ASN 34 1.750 -2.105 -5.484 736 1HB ASN 34 1HB ASN 34 2.756 -4.016 -7.223 737 2HB ASN 34 2HB ASN 34 4.201 -3.115 -6.764 738 1HD2 ASN 34 1HD2 ASN 34 3.453 -2.401 -4.087 739 2HD2 ASN 34 2HD2 ASN 34 3.366 -3.821 -3.161 740 H SER 35 H SER 35 3.481 -0.927 -8.349 741 HA SER 35 HA SER 35 5.364 0.713 -6.844 742 1HB SER 35 1HB SER 35 4.452 0.711 -9.742 743 2HB SER 35 2HB SER 35 5.857 1.579 -9.130 744 HG SER 35 HG SER 35 6.547 -0.391 -9.904 745 H GLU 36 H GLU 36 2.198 1.200 -8.376 746 HA GLU 36 HA GLU 36 2.104 4.050 -8.256 747 1HB GLU 36 1HB GLU 36 0.577 1.958 -9.171 748 2HB GLU 36 2HB GLU 36 -0.373 2.507 -7.789 749 1HG GLU 36 1HG GLU 36 -1.045 3.697 -9.826 750 2HG GLU 36 2HG GLU 36 -0.316 4.804 -8.668 751 H ILE 37 H ILE 37 0.823 1.569 -6.014 752 HA ILE 37 HA ILE 37 0.027 3.448 -3.973 753 HB ILE 37 HB ILE 37 0.592 0.476 -4.060 754 1HG1 ILE 37 1HG1 ILE 37 -1.831 2.262 -4.289 755 2HG1 ILE 37 2HG1 ILE 37 -1.304 0.984 -5.378 756 1HG2 ILE 37 1HG2 ILE 37 0.898 1.402 -1.747 757 2HG2 ILE 37 2HG2 ILE 37 -0.478 0.306 -1.872 758 3HG2 ILE 37 3HG2 ILE 37 -0.741 2.049 -1.831 759 1HD1 ILE 37 1HD1 ILE 37 -3.257 0.252 -4.086 760 2HD1 ILE 37 2HD1 ILE 37 -2.401 0.597 -2.582 761 3HD1 ILE 37 3HD1 ILE 37 -1.838 -0.699 -3.639 762 H TYR 38 H TYR 38 3.067 1.980 -4.857 763 HA TYR 38 HA TYR 38 4.380 2.289 -2.287 764 1HB TYR 38 1HB TYR 38 5.079 0.658 -3.966 765 2HB TYR 38 2HB TYR 38 5.336 1.941 -5.147 766 HD1 TYR 38 HD1 TYR 38 7.586 2.373 -5.532 767 HD2 TYR 38 HD2 TYR 38 6.266 1.424 -1.542 768 HE1 TYR 38 HE1 TYR 38 9.916 2.689 -4.690 769 HE2 TYR 38 HE2 TYR 38 8.590 1.738 -0.690 770 HH TYR 38 HH TYR 38 10.660 3.002 -1.411 771 H GLN 39 H GLN 39 3.871 4.301 -5.135 772 HA GLN 39 HA GLN 39 5.856 6.319 -4.374 773 1HB GLN 39 1HB GLN 39 4.770 5.578 -6.693 774 2HB GLN 39 2HB GLN 39 3.573 6.800 -6.261 775 1HG GLN 39 1HG GLN 39 5.001 8.329 -7.105 776 2HG GLN 39 2HG GLN 39 6.017 8.021 -5.696 777 1HE2 GLN 39 1HE2 GLN 39 8.011 6.954 -6.044 778 2HE2 GLN 39 2HE2 GLN 39 8.514 6.361 -7.553 779 H ARG 40 H ARG 40 2.289 6.066 -4.342 780 HA ARG 40 HA ARG 40 1.731 8.636 -3.229 781 1HB ARG 40 1HB ARG 40 0.303 5.970 -2.910 782 2HB ARG 40 2HB ARG 40 -0.421 7.554 -2.641 783 1HG ARG 40 1HG ARG 40 0.082 8.134 -5.026 784 2HG ARG 40 2HG ARG 40 0.650 6.482 -5.268 785 1HD ARG 40 1HD ARG 40 -1.596 5.641 -4.541 786 2HD ARG 40 2HD ARG 40 -2.155 7.322 -4.454 787 HE ARG 40 HE ARG 40 -1.800 5.822 -6.890 788 1HH1 ARG 40 1HH1 ARG 40 -2.949 8.686 -5.823 789 2HH1 ARG 40 2HH1 ARG 40 -2.366 9.660 -7.131 790 1HH2 ARG 40 1HH2 ARG 40 -0.334 7.167 -8.429 791 2HH2 ARG 40 2HH2 ARG 40 -0.885 8.800 -8.608 792 H VAL 41 H VAL 41 2.276 5.469 -1.704 793 HA VAL 41 HA VAL 41 1.987 6.351 1.028 794 HB VAL 41 HB VAL 41 3.322 4.017 -0.371 795 1HG1 VAL 41 1HG1 VAL 41 3.179 2.893 1.883 796 2HG1 VAL 41 2HG1 VAL 41 2.833 4.475 2.585 797 3HG1 VAL 41 3HG1 VAL 41 4.381 4.180 1.791 798 1HG2 VAL 41 1HG2 VAL 41 1.301 2.920 -0.135 799 2HG2 VAL 41 2HG2 VAL 41 0.720 4.579 -0.289 800 3HG2 VAL 41 3HG2 VAL 41 0.854 3.837 1.304 801 H MET 42 H MET 42 4.607 6.426 -1.281 802 HA MET 42 HA MET 42 6.794 6.685 0.591 803 1HB MET 42 1HB MET 42 6.284 6.595 -2.236 804 2HB MET 42 2HB MET 42 7.350 7.952 -1.895 805 1HG MET 42 1HG MET 42 8.589 6.192 -0.360 806 2HG MET 42 2HG MET 42 7.803 5.028 -1.429 807 1HE MET 42 1HE MET 42 11.144 7.987 -2.309 808 2HE MET 42 2HE MET 42 10.845 7.080 -0.829 809 3HE MET 42 3HE MET 42 9.728 8.356 -1.314 810 H GLU 43 H GLU 43 5.490 9.174 -1.638 811 HA GLU 43 HA GLU 43 6.713 11.409 -0.447 812 1HB GLU 43 1HB GLU 43 4.933 12.658 -1.634 813 2HB GLU 43 2HB GLU 43 5.568 11.348 -2.631 814 1HG GLU 43 1HG GLU 43 3.657 9.915 -1.709 815 2HG GLU 43 2HG GLU 43 2.965 11.417 -1.093 816 H SER 44 H SER 44 3.739 9.736 0.501 817 HA SER 44 HA SER 44 2.494 11.613 2.159 818 1HB SER 44 1HB SER 44 2.228 8.967 1.553 819 2HB SER 44 2HB SER 44 2.748 8.865 3.233 820 HG SER 44 HG SER 44 0.838 9.518 3.782 821 H PHE 45 H PHE 45 4.934 9.217 3.268 822 HA PHE 45 HA PHE 45 5.229 10.269 5.899 823 1HB PHE 45 1HB PHE 45 6.988 8.678 4.019 824 2HB PHE 45 2HB PHE 45 7.439 8.990 5.694 825 HD1 PHE 45 HD1 PHE 45 6.211 6.488 3.754 826 HD2 PHE 45 HD2 PHE 45 5.073 8.727 7.267 827 HE1 PHE 45 HE1 PHE 45 4.802 4.579 4.514 828 HE2 PHE 45 HE2 PHE 45 3.660 6.818 8.023 829 HZ PHE 45 HZ PHE 45 3.531 4.741 6.653 830 H LYS 46 H LYS 46 6.962 11.014 2.870 831 HA LYS 46 HA LYS 46 9.047 12.617 3.929 832 1HB LYS 46 1HB LYS 46 8.864 11.777 1.614 833 2HB LYS 46 2HB LYS 46 7.500 12.860 1.329 834 1HG LYS 46 1HG LYS 46 8.949 14.806 1.798 835 2HG LYS 46 2HG LYS 46 10.314 13.721 2.063 836 1HD LYS 46 1HD LYS 46 8.883 13.302 -0.487 837 2HD LYS 46 2HD LYS 46 9.710 14.855 -0.350 838 1HE LYS 46 1HE LYS 46 11.827 13.839 -0.049 839 2HE LYS 46 2HE LYS 46 11.109 12.270 0.370 840 1HZ LYS 46 1HZ LYS 46 11.920 12.470 -1.985 841 2HZ LYS 46 2HZ LYS 46 10.679 13.599 -2.246 842 3HZ LYS 46 3HZ LYS 46 10.300 12.000 -1.820 843 H LYS 47 H LYS 47 5.647 13.301 3.692 844 HA LYS 47 HA LYS 47 5.953 16.215 3.750 845 1HB LYS 47 1HB LYS 47 3.717 14.203 3.893 846 2HB LYS 47 2HB LYS 47 3.399 15.902 4.246 847 1HG LYS 47 1HG LYS 47 4.618 16.399 2.025 848 2HG LYS 47 2HG LYS 47 4.406 14.683 1.676 849 1HD LYS 47 1HD LYS 47 2.110 14.861 1.492 850 2HD LYS 47 2HD LYS 47 2.021 16.223 2.609 851 1HE LYS 47 1HE LYS 47 2.902 17.743 0.927 852 2HE LYS 47 2HE LYS 47 3.198 16.393 -0.188 853 1HZ LYS 47 1HZ LYS 47 0.938 15.977 -0.420 854 2HZ LYS 47 2HZ LYS 47 1.003 17.675 -0.418 855 3HZ LYS 47 3HZ LYS 47 0.523 16.840 0.981 856 H GLU 48 H GLU 48 4.887 13.710 6.088 857 HA GLU 48 HA GLU 48 4.407 15.424 8.299 858 1HB GLU 48 1HB GLU 48 4.027 12.865 7.853 859 2HB GLU 48 2HB GLU 48 5.632 12.687 8.560 860 1HG GLU 48 1HG GLU 48 4.888 13.148 10.651 861 2HG GLU 48 2HG GLU 48 3.870 14.475 10.089 862 H GLY 49 H GLY 49 7.416 13.747 7.326 863 1HA GLY 49 1HA GLY 49 9.502 15.159 7.596 864 2HA GLY 49 2HA GLY 49 8.886 15.561 9.197 865 H ARG 50 H ARG 50 8.206 12.323 8.377 866 HA ARG 50 HA ARG 50 9.992 11.314 10.432 867 1HB ARG 50 1HB ARG 50 8.215 10.062 8.317 868 2HB ARG 50 2HB ARG 50 9.069 9.117 9.537 869 1HG ARG 50 1HG ARG 50 7.644 11.373 10.713 870 2HG ARG 50 2HG ARG 50 6.558 10.292 9.840 871 1HD ARG 50 1HD ARG 50 6.772 8.664 11.412 872 2HD ARG 50 2HD ARG 50 8.538 8.844 11.459 873 HE ARG 50 HE ARG 50 7.418 11.163 12.647 874 1HH1 ARG 50 1HH1 ARG 50 9.379 8.996 13.761 875 2HH1 ARG 50 2HH1 ARG 50 8.544 8.568 15.217 876 1HH2 ARG 50 1HH2 ARG 50 5.573 10.088 14.276 877 2HH2 ARG 50 2HH2 ARG 50 6.390 9.185 15.509 878 H ILE 51 H ILE 51 9.845 10.837 6.882 879 HA ILE 51 HA ILE 51 12.684 9.905 6.951 880 HB ILE 51 HB ILE 51 12.085 9.015 4.689 881 1HG1 ILE 51 1HG1 ILE 51 9.223 9.719 5.280 882 2HG1 ILE 51 2HG1 ILE 51 10.259 10.906 4.487 883 1HG2 ILE 51 1HG2 ILE 51 11.771 7.591 6.650 884 2HG2 ILE 51 2HG2 ILE 51 10.448 7.323 5.514 885 3HG2 ILE 51 3HG2 ILE 51 10.189 8.313 6.951 886 1HD1 ILE 51 1HD1 ILE 51 10.037 9.829 2.525 887 2HD1 ILE 51 2HD1 ILE 51 8.936 8.689 3.299 888 3HD1 ILE 51 3HD1 ILE 51 10.665 8.346 3.248 889 H GLY 52 H GLY 52 13.485 10.494 4.392 890 1HA GLY 52 1HA GLY 52 12.930 12.880 3.146 891 2HA GLY 52 2HA GLY 52 13.888 13.387 4.538 892 H ALA 53 H ALA 53 14.005 10.919 1.944 893 HA ALA 53 HA ALA 53 16.741 11.755 1.251 894 1HB ALA 53 1HB ALA 53 17.629 10.329 2.785 895 2HB ALA 53 2HB ALA 53 17.125 9.048 1.683 896 3HB ALA 53 3HB ALA 53 16.087 9.510 3.032 Start of MODEL 6 1 1H MET 1 1H MET 1 20.071 -16.312 3.235 2 2H MET 1 2H MET 1 20.365 -14.640 3.312 3 3H MET 1 3H MET 1 18.986 -15.226 2.514 4 HA MET 1 HA MET 1 19.530 -15.304 5.438 5 1HB MET 1 1HB MET 1 17.913 -13.716 3.492 6 2HB MET 1 2HB MET 1 17.189 -14.035 5.069 7 1HG MET 1 1HG MET 1 19.090 -13.047 6.206 8 2HG MET 1 2HG MET 1 19.961 -12.869 4.682 9 1HE MET 1 1HE MET 1 15.981 -12.085 5.240 10 2HE MET 1 2HE MET 1 16.294 -10.640 6.199 11 3HE MET 1 3HE MET 1 16.961 -12.189 6.709 12 H LYS 2 H LYS 2 17.415 -16.026 6.569 13 HA LYS 2 HA LYS 2 16.285 -18.388 5.103 14 1HB LYS 2 1HB LYS 2 17.769 -18.329 7.375 15 2HB LYS 2 2HB LYS 2 16.152 -18.178 8.065 16 1HG LYS 2 1HG LYS 2 16.328 -20.488 7.955 17 2HG LYS 2 2HG LYS 2 15.614 -20.156 6.375 18 1HD LYS 2 1HD LYS 2 17.864 -20.144 5.358 19 2HD LYS 2 2HD LYS 2 18.577 -20.485 6.935 20 1HE LYS 2 1HE LYS 2 16.422 -22.321 5.948 21 2HE LYS 2 2HE LYS 2 18.048 -22.475 5.255 22 1HZ LYS 2 1HZ LYS 2 17.621 -22.227 8.172 23 2HZ LYS 2 2HZ LYS 2 18.995 -22.797 7.350 24 3HZ LYS 2 3HZ LYS 2 17.582 -23.739 7.405 25 H GLY 3 H GLY 3 15.556 -15.579 7.112 26 1HA GLY 3 1HA GLY 3 12.997 -15.093 6.091 27 2HA GLY 3 2HA GLY 3 12.750 -16.165 7.471 28 H MET 4 H MET 4 13.027 -15.345 9.554 29 HA MET 4 HA MET 4 13.087 -13.654 11.207 30 1HB MET 4 1HB MET 4 15.336 -13.145 9.287 31 2HB MET 4 2HB MET 4 15.045 -11.979 10.577 32 1HG MET 4 1HG MET 4 16.615 -13.566 11.449 33 2HG MET 4 2HG MET 4 15.062 -13.944 12.196 34 1HE MET 4 1HE MET 4 14.659 -15.815 12.736 35 2HE MET 4 2HE MET 4 16.086 -16.839 12.600 36 3HE MET 4 3HE MET 4 14.582 -17.328 11.823 37 H SER 5 H SER 5 11.290 -13.268 8.823 38 HA SER 5 HA SER 5 11.030 -10.288 9.024 39 1HB SER 5 1HB SER 5 11.108 -12.142 6.665 40 2HB SER 5 2HB SER 5 10.140 -10.674 6.559 41 HG SER 5 HG SER 5 12.890 -11.016 6.699 42 H LYS 6 H LYS 6 8.739 -9.590 8.460 43 HA LYS 6 HA LYS 6 6.647 -11.664 8.670 44 1HB LYS 6 1HB LYS 6 7.517 -9.821 10.866 45 2HB LYS 6 2HB LYS 6 5.798 -10.197 10.725 46 1HG LYS 6 1HG LYS 6 6.810 -12.684 10.458 47 2HG LYS 6 2HG LYS 6 8.071 -11.969 11.464 48 1HD LYS 6 1HD LYS 6 6.668 -11.689 13.265 49 2HD LYS 6 2HD LYS 6 5.246 -11.436 12.253 50 1HE LYS 6 1HE LYS 6 6.521 -14.146 12.195 51 2HE LYS 6 2HE LYS 6 5.546 -13.710 13.612 52 1HZ LYS 6 1HZ LYS 6 4.327 -14.673 11.595 53 2HZ LYS 6 2HZ LYS 6 4.591 -13.159 10.871 54 3HZ LYS 6 3HZ LYS 6 3.688 -13.272 12.305 55 H MET 7 H MET 7 6.558 -10.382 6.477 56 HA MET 7 HA MET 7 4.585 -8.167 6.836 57 1HB MET 7 1HB MET 7 5.825 -6.821 5.211 58 2HB MET 7 2HB MET 7 6.919 -7.297 6.506 59 1HG MET 7 1HG MET 7 7.875 -9.050 5.152 60 2HG MET 7 2HG MET 7 6.654 -8.816 3.900 61 1HE MET 7 1HE MET 7 9.314 -7.030 6.037 62 2HE MET 7 2HE MET 7 8.076 -5.787 5.880 63 3HE MET 7 3HE MET 7 9.652 -5.549 5.132 64 HA PRO 8 HA PRO 8 2.393 -10.183 3.605 65 1HB PRO 8 1HB PRO 8 1.454 -8.101 2.088 66 2HB PRO 8 2HB PRO 8 0.798 -8.515 3.686 67 1HG PRO 8 1HG PRO 8 2.758 -6.394 2.938 68 2HG PRO 8 2HG PRO 8 1.403 -6.326 4.076 69 1HD PRO 8 1HD PRO 8 3.958 -6.620 4.887 70 2HD PRO 8 2HD PRO 8 2.590 -7.335 5.765 71 H GLN 9 H GLN 9 2.626 -10.875 1.401 72 HA GLN 9 HA GLN 9 5.235 -10.579 0.233 73 1HB GLN 9 1HB GLN 9 2.563 -11.615 -0.761 74 2HB GLN 9 2HB GLN 9 4.061 -11.780 -1.679 75 1HG GLN 9 1HG GLN 9 4.921 -12.735 0.680 76 2HG GLN 9 2HG GLN 9 3.213 -13.149 0.828 77 1HE2 GLN 9 1HE2 GLN 9 6.148 -14.290 -0.389 78 2HE2 GLN 9 2HE2 GLN 9 5.541 -15.421 -1.501 79 H PHE 10 H PHE 10 2.316 -8.705 -0.037 80 HA PHE 10 HA PHE 10 2.762 -7.548 -2.637 81 1HB PHE 10 1HB PHE 10 0.608 -7.539 -1.476 82 2HB PHE 10 2HB PHE 10 1.295 -6.594 -0.155 83 HD1 PHE 10 HD1 PHE 10 1.445 -4.221 -0.279 84 HD2 PHE 10 HD2 PHE 10 0.539 -6.523 -3.818 85 HE1 PHE 10 HE1 PHE 10 0.937 -2.117 -1.517 86 HE2 PHE 10 HE2 PHE 10 0.031 -4.419 -5.054 87 HZ PHE 10 HZ PHE 10 0.229 -2.217 -3.904 88 H LEU 11 H LEU 11 4.185 -6.974 0.491 89 HA LEU 11 HA LEU 11 5.282 -4.341 -0.374 90 1HB LEU 11 1HB LEU 11 5.233 -5.852 2.257 91 2HB LEU 11 2HB LEU 11 5.950 -4.253 2.045 92 HG LEU 11 HG LEU 11 3.054 -4.961 1.484 93 1HD1 LEU 11 1HD1 LEU 11 2.505 -3.847 3.498 94 2HD1 LEU 11 2HD1 LEU 11 4.106 -3.123 3.633 95 3HD1 LEU 11 3HD1 LEU 11 3.892 -4.849 3.928 96 1HD2 LEU 11 1HD2 LEU 11 3.056 -2.307 1.534 97 2HD2 LEU 11 2HD2 LEU 11 3.475 -3.174 0.056 98 3HD2 LEU 11 3HD2 LEU 11 4.748 -2.522 1.086 99 H ASN 12 H ASN 12 6.181 -7.189 -1.254 100 HA ASN 12 HA ASN 12 8.831 -7.573 -0.137 101 1HB ASN 12 1HB ASN 12 7.024 -8.970 -1.704 102 2HB ASN 12 2HB ASN 12 8.314 -8.586 -2.846 103 1HD2 ASN 12 1HD2 ASN 12 7.395 -10.974 -0.755 104 2HD2 ASN 12 2HD2 ASN 12 8.918 -11.588 -0.326 105 H ARG 13 H ARG 13 7.505 -5.661 -2.770 106 HA ARG 13 HA ARG 13 10.115 -5.143 -4.009 107 1HB ARG 13 1HB ARG 13 7.249 -4.565 -4.447 108 2HB ARG 13 2HB ARG 13 8.349 -3.312 -5.022 109 1HG ARG 13 1HG ARG 13 8.063 -4.846 -6.842 110 2HG ARG 13 2HG ARG 13 9.666 -5.159 -6.172 111 1HD ARG 13 1HD ARG 13 8.003 -6.810 -4.661 112 2HD ARG 13 2HD ARG 13 7.354 -6.941 -6.308 113 HE ARG 13 HE ARG 13 10.177 -7.527 -5.531 114 1HH1 ARG 13 1HH1 ARG 13 9.637 -6.416 -8.348 115 2HH1 ARG 13 2HH1 ARG 13 9.537 -7.887 -9.258 116 1HH2 ARG 13 1HH2 ARG 13 9.166 -9.905 -6.465 117 2HH2 ARG 13 2HH2 ARG 13 9.270 -9.860 -8.193 118 H TRP 14 H TRP 14 8.102 -3.718 -1.554 119 HA TRP 14 HA TRP 14 9.123 -1.037 -1.600 120 1HB TRP 14 1HB TRP 14 7.844 -2.830 0.468 121 2HB TRP 14 2HB TRP 14 8.226 -1.145 0.783 122 HD1 TRP 14 HD1 TRP 14 6.920 -2.376 -2.621 123 HE1 TRP 14 HE1 TRP 14 4.616 -1.298 -3.036 124 HE3 TRP 14 HE3 TRP 14 6.247 -0.097 1.867 125 HZ2 TRP 14 HZ2 TRP 14 2.709 0.345 -1.623 126 HZ3 TRP 14 HZ3 TRP 14 4.176 1.228 2.341 127 HH2 TRP 14 HH2 TRP 14 2.412 1.449 0.594 128 HA PRO 15 HA PRO 15 13.141 -1.927 0.046 129 1HB PRO 15 1HB PRO 15 13.808 0.587 0.907 130 2HB PRO 15 2HB PRO 15 13.845 0.097 -0.797 131 1HG PRO 15 1HG PRO 15 11.781 1.647 0.681 132 2HG PRO 15 2HG PRO 15 12.389 1.869 -0.966 133 1HD PRO 15 1HD PRO 15 10.011 0.669 -0.402 134 2HD PRO 15 2HD PRO 15 10.981 0.281 -1.840 135 H ARG 16 H ARG 16 14.327 -1.661 2.181 136 HA ARG 16 HA ARG 16 12.540 -2.256 4.380 137 1HB ARG 16 1HB ARG 16 14.428 -3.495 4.634 138 2HB ARG 16 2HB ARG 16 15.355 -2.442 3.587 139 1HG ARG 16 1HG ARG 16 16.047 -1.080 5.326 140 2HG ARG 16 2HG ARG 16 14.691 -1.525 6.363 141 1HD ARG 16 1HD ARG 16 16.826 -2.571 7.139 142 2HD ARG 16 2HD ARG 16 15.647 -3.800 6.637 143 HE ARG 16 HE ARG 16 17.137 -3.051 4.341 144 1HH1 ARG 16 1HH1 ARG 16 16.940 -5.302 6.846 145 2HH1 ARG 16 2HH1 ARG 16 18.496 -6.008 6.561 146 1HH2 ARG 16 1HH2 ARG 16 19.426 -3.648 4.196 147 2HH2 ARG 16 2HH2 ARG 16 19.902 -5.072 5.062 148 H GLU 17 H GLU 17 14.112 0.592 3.143 149 HA GLU 17 HA GLU 17 14.185 2.106 5.608 150 1HB GLU 17 1HB GLU 17 14.578 2.498 2.692 151 2HB GLU 17 2HB GLU 17 14.136 3.944 3.599 152 1HG GLU 17 1HG GLU 17 16.004 3.591 5.136 153 2HG GLU 17 2HG GLU 17 16.421 2.085 4.319 154 H VAL 18 H VAL 18 11.774 1.491 3.123 155 HA VAL 18 HA VAL 18 9.964 3.606 4.113 156 HB VAL 18 HB VAL 18 9.755 1.418 2.010 157 1HG1 VAL 18 1HG1 VAL 18 7.788 2.902 1.239 158 2HG1 VAL 18 2HG1 VAL 18 7.827 3.585 2.864 159 3HG1 VAL 18 3HG1 VAL 18 7.509 1.865 2.639 160 1HG2 VAL 18 1HG2 VAL 18 10.091 3.225 0.430 161 2HG2 VAL 18 2HG2 VAL 18 11.379 3.314 1.629 162 3HG2 VAL 18 3HG2 VAL 18 10.016 4.428 1.718 163 H LEU 19 H LEU 19 10.059 0.031 4.012 164 HA LEU 19 HA LEU 19 7.590 -0.428 5.371 165 1HB LEU 19 1HB LEU 19 10.169 -1.966 5.017 166 2HB LEU 19 2HB LEU 19 8.776 -2.663 5.844 167 HG LEU 19 HG LEU 19 8.558 -1.441 3.090 168 1HD1 LEU 19 1HD1 LEU 19 9.264 -3.365 2.087 169 2HD1 LEU 19 2HD1 LEU 19 8.591 -4.389 3.355 170 3HD1 LEU 19 3HD1 LEU 19 10.150 -3.598 3.594 171 1HD2 LEU 19 1HD2 LEU 19 6.429 -2.371 3.063 172 2HD2 LEU 19 2HD2 LEU 19 6.594 -2.021 4.786 173 3HD2 LEU 19 3HD2 LEU 19 6.867 -3.658 4.188 174 H ASP 20 H ASP 20 10.833 0.287 6.559 175 HA ASP 20 HA ASP 20 10.429 -0.491 9.298 176 1HB ASP 20 1HB ASP 20 12.603 -0.019 8.126 177 2HB ASP 20 2HB ASP 20 12.185 1.696 8.131 178 H LEU 21 H LEU 21 9.504 2.309 7.433 179 HA LEU 21 HA LEU 21 8.844 3.953 9.785 180 1HB LEU 21 1HB LEU 21 9.784 4.894 7.717 181 2HB LEU 21 2HB LEU 21 8.430 4.245 6.793 182 HG LEU 21 HG LEU 21 6.940 5.624 8.408 183 1HD1 LEU 21 1HD1 LEU 21 7.918 7.381 9.605 184 2HD1 LEU 21 2HD1 LEU 21 9.397 7.341 8.645 185 3HD1 LEU 21 3HD1 LEU 21 9.088 6.083 9.845 186 1HD2 LEU 21 1HD2 LEU 21 7.387 7.694 7.010 187 2HD2 LEU 21 2HD2 LEU 21 7.133 6.210 6.091 188 3HD2 LEU 21 3HD2 LEU 21 8.764 6.837 6.319 189 H VAL 22 H VAL 22 7.099 2.265 7.157 190 HA VAL 22 HA VAL 22 4.440 2.908 7.801 191 HB VAL 22 HB VAL 22 5.593 0.248 6.895 192 1HG1 VAL 22 1HG1 VAL 22 3.464 -0.180 5.925 193 2HG1 VAL 22 2HG1 VAL 22 2.933 1.484 6.168 194 3HG1 VAL 22 3HG1 VAL 22 3.123 0.406 7.552 195 1HG2 VAL 22 1HG2 VAL 22 4.705 1.644 4.663 196 2HG2 VAL 22 2HG2 VAL 22 6.389 1.453 5.151 197 3HG2 VAL 22 3HG2 VAL 22 5.488 2.892 5.634 198 H ARG 23 H ARG 23 6.508 0.323 9.112 199 HA ARG 23 HA ARG 23 4.722 -1.067 10.754 200 1HB ARG 23 1HB ARG 23 7.367 -1.087 10.227 201 2HB ARG 23 2HB ARG 23 7.408 -0.351 11.829 202 1HG ARG 23 1HG ARG 23 6.739 -2.264 12.866 203 2HG ARG 23 2HG ARG 23 5.621 -2.686 11.569 204 1HD ARG 23 1HD ARG 23 8.640 -2.928 11.330 205 2HD ARG 23 2HD ARG 23 7.567 -4.279 11.747 206 HE ARG 23 HE ARG 23 6.832 -2.771 9.319 207 1HH1 ARG 23 1HH1 ARG 23 9.532 -4.491 9.567 208 2HH1 ARG 23 2HH1 ARG 23 9.031 -5.876 8.655 209 1HH2 ARG 23 1HH2 ARG 23 5.680 -4.987 8.646 210 2HH2 ARG 23 2HH2 ARG 23 6.850 -6.156 8.134 211 H LYS 24 H LYS 24 6.849 1.559 11.894 212 HA LYS 24 HA LYS 24 5.725 1.945 14.442 213 1HB LYS 24 1HB LYS 24 7.561 3.191 12.631 214 2HB LYS 24 2HB LYS 24 6.534 4.449 13.319 215 1HG LYS 24 1HG LYS 24 8.280 4.263 14.882 216 2HG LYS 24 2HG LYS 24 6.996 3.286 15.593 217 1HD LYS 24 1HD LYS 24 8.013 1.248 14.828 218 2HD LYS 24 2HD LYS 24 9.169 2.132 13.829 219 1HE LYS 24 1HE LYS 24 10.384 1.519 15.803 220 2HE LYS 24 2HE LYS 24 9.958 3.225 16.044 221 1HZ LYS 24 1HZ LYS 24 9.302 2.031 17.990 222 2HZ LYS 24 2HZ LYS 24 8.494 0.854 17.069 223 3HZ LYS 24 3HZ LYS 24 7.891 2.439 17.142 224 H VAL 25 H VAL 25 4.498 2.964 11.314 225 HA VAL 25 HA VAL 25 2.652 4.963 12.392 226 HB VAL 25 HB VAL 25 2.761 3.561 9.704 227 1HG1 VAL 25 1HG1 VAL 25 1.709 6.316 10.377 228 2HG1 VAL 25 2HG1 VAL 25 0.677 4.887 10.329 229 3HG1 VAL 25 3HG1 VAL 25 1.509 5.423 8.868 230 1HG2 VAL 25 1HG2 VAL 25 3.837 6.262 9.815 231 2HG2 VAL 25 2HG2 VAL 25 4.584 4.792 9.191 232 3HG2 VAL 25 3HG2 VAL 25 4.709 5.185 10.905 233 H ALA 26 H ALA 26 2.493 1.542 11.543 234 HA ALA 26 HA ALA 26 -0.417 1.374 11.670 235 1HB ALA 26 1HB ALA 26 0.188 -1.100 11.643 236 2HB ALA 26 2HB ALA 26 1.879 -0.601 11.664 237 3HB ALA 26 3HB ALA 26 0.846 -0.159 10.303 238 H GLU 27 H GLU 27 2.262 1.037 13.920 239 HA GLU 27 HA GLU 27 0.567 -0.177 16.009 240 1HB GLU 27 1HB GLU 27 3.370 0.144 15.351 241 2HB GLU 27 2HB GLU 27 3.074 0.623 17.022 242 1HG GLU 27 1HG GLU 27 2.304 -1.490 17.637 243 2HG GLU 27 2HG GLU 27 1.852 -1.916 15.985 244 H GLU 28 H GLU 28 1.458 3.010 14.968 245 HA GLU 28 HA GLU 28 1.057 4.181 17.666 246 1HB GLU 28 1HB GLU 28 1.760 6.231 16.583 247 2HB GLU 28 2HB GLU 28 2.810 4.936 16.015 248 1HG GLU 28 1HG GLU 28 1.551 4.750 13.949 249 2HG GLU 28 2HG GLU 28 0.356 5.910 14.523 250 H ASN 29 H ASN 29 -0.650 3.899 14.579 251 HA ASN 29 HA ASN 29 -2.794 5.739 15.339 252 1HB ASN 29 1HB ASN 29 -2.024 3.959 13.082 253 2HB ASN 29 2HB ASN 29 -3.744 4.319 13.237 254 1HD2 ASN 29 1HD2 ASN 29 -0.729 5.570 12.141 255 2HD2 ASN 29 2HD2 ASN 29 -1.244 7.156 11.830 256 H GLY 30 H GLY 30 -2.166 2.294 15.609 257 1HA GLY 30 1HA GLY 30 -3.354 0.972 17.291 258 2HA GLY 30 2HA GLY 30 -4.765 2.002 17.042 259 H ARG 31 H ARG 31 -2.968 0.927 14.267 260 HA ARG 31 HA ARG 31 -5.069 -1.142 13.702 261 1HB ARG 31 1HB ARG 31 -3.882 0.773 11.673 262 2HB ARG 31 2HB ARG 31 -5.304 -0.252 11.483 263 1HG ARG 31 1HG ARG 31 -5.950 1.251 13.707 264 2HG ARG 31 2HG ARG 31 -5.059 2.404 12.711 265 1HD ARG 31 1HD ARG 31 -6.535 1.720 10.761 266 2HD ARG 31 2HD ARG 31 -7.526 0.822 11.928 267 HE ARG 31 HE ARG 31 -6.933 3.703 12.425 268 1HH1 ARG 31 1HH1 ARG 31 -9.156 2.943 10.419 269 2HH1 ARG 31 2HH1 ARG 31 -10.540 3.033 11.446 270 1HH2 ARG 31 1HH2 ARG 31 -8.705 3.031 14.385 271 2HH2 ARG 31 2HH2 ARG 31 -10.290 3.085 13.693 272 H SER 32 H SER 32 -4.013 -1.816 11.163 273 HA SER 32 HA SER 32 -1.403 -3.057 11.938 274 1HB SER 32 1HB SER 32 -3.846 -3.897 10.495 275 2HB SER 32 2HB SER 32 -2.339 -4.413 9.743 276 HG SER 32 HG SER 32 -1.771 -5.092 11.983 277 H VAL 33 H VAL 33 -0.183 -3.594 9.672 278 HA VAL 33 HA VAL 33 0.462 -1.005 8.528 279 HB VAL 33 HB VAL 33 1.296 -3.862 7.957 280 1HG1 VAL 33 1HG1 VAL 33 2.026 -1.254 6.746 281 2HG1 VAL 33 2HG1 VAL 33 2.058 -2.870 6.042 282 3HG1 VAL 33 3HG1 VAL 33 3.359 -2.347 7.113 283 1HG2 VAL 33 1HG2 VAL 33 3.004 -3.514 9.506 284 2HG2 VAL 33 2HG2 VAL 33 1.700 -2.572 10.235 285 3HG2 VAL 33 3HG2 VAL 33 2.963 -1.759 9.306 286 H ASN 34 H ASN 34 -1.723 -3.581 7.717 287 HA ASN 34 HA ASN 34 -1.882 -3.024 4.850 288 1HB ASN 34 1HB ASN 34 -2.501 -5.153 6.194 289 2HB ASN 34 2HB ASN 34 -3.981 -4.298 6.627 290 1HD2 ASN 34 1HD2 ASN 34 -4.939 -6.215 5.298 291 2HD2 ASN 34 2HD2 ASN 34 -5.084 -5.986 3.623 292 H SER 35 H SER 35 -3.439 -1.863 7.787 293 HA SER 35 HA SER 35 -5.500 -0.345 6.339 294 1HB SER 35 1HB SER 35 -4.857 -1.195 9.034 295 2HB SER 35 2HB SER 35 -5.217 0.528 9.018 296 HG SER 35 HG SER 35 -7.148 -0.533 9.213 297 H GLU 36 H GLU 36 -2.399 0.277 7.982 298 HA GLU 36 HA GLU 36 -2.403 3.116 7.887 299 1HB GLU 36 1HB GLU 36 -0.843 1.498 9.073 300 2HB GLU 36 2HB GLU 36 -0.068 1.219 7.513 301 1HG GLU 36 1HG GLU 36 -0.423 4.058 8.188 302 2HG GLU 36 2HG GLU 36 0.654 3.183 9.275 303 H ILE 37 H ILE 37 -1.017 0.750 5.575 304 HA ILE 37 HA ILE 37 -0.216 2.669 3.602 305 HB ILE 37 HB ILE 37 -1.056 -0.248 3.407 306 1HG1 ILE 37 1HG1 ILE 37 0.790 0.261 5.022 307 2HG1 ILE 37 2HG1 ILE 37 1.321 -0.732 3.667 308 1HG2 ILE 37 1HG2 ILE 37 0.162 1.664 1.458 309 2HG2 ILE 37 2HG2 ILE 37 -0.967 0.340 1.173 310 3HG2 ILE 37 3HG2 ILE 37 0.741 -0.002 1.454 311 1HD1 ILE 37 1HD1 ILE 37 1.718 2.257 3.991 312 2HD1 ILE 37 2HD1 ILE 37 2.108 1.360 2.522 313 3HD1 ILE 37 3HD1 ILE 37 2.969 1.012 4.021 314 H TYR 38 H TYR 38 -3.286 1.135 4.356 315 HA TYR 38 HA TYR 38 -4.626 1.782 1.869 316 1HB TYR 38 1HB TYR 38 -5.286 -0.043 3.361 317 2HB TYR 38 2HB TYR 38 -5.567 1.100 4.673 318 HD1 TYR 38 HD1 TYR 38 -7.816 1.468 5.089 319 HD2 TYR 38 HD2 TYR 38 -6.481 0.939 1.029 320 HE1 TYR 38 HE1 TYR 38 -10.150 1.823 4.280 321 HE2 TYR 38 HE2 TYR 38 -8.811 1.293 0.209 322 HH TYR 38 HH TYR 38 -11.010 2.694 1.468 323 H GLN 39 H GLN 39 -3.976 3.478 4.862 324 HA GLN 39 HA GLN 39 -6.038 5.527 4.498 325 1HB GLN 39 1HB GLN 39 -4.471 4.539 6.554 326 2HB GLN 39 2HB GLN 39 -3.711 6.094 6.217 327 1HG GLN 39 1HG GLN 39 -5.345 7.042 7.452 328 2HG GLN 39 2HG GLN 39 -6.456 6.630 6.145 329 1HE2 GLN 39 1HE2 GLN 39 -6.606 3.837 6.382 330 2HE2 GLN 39 2HE2 GLN 39 -7.262 3.425 7.892 331 H ARG 40 H ARG 40 -2.456 5.466 4.275 332 HA ARG 40 HA ARG 40 -2.116 8.126 3.294 333 1HB ARG 40 1HB ARG 40 -0.606 5.527 3.262 334 2HB ARG 40 2HB ARG 40 0.013 6.873 2.307 335 1HG ARG 40 1HG ARG 40 1.041 6.975 4.499 336 2HG ARG 40 2HG ARG 40 -0.110 8.306 4.373 337 1HD ARG 40 1HD ARG 40 -1.685 7.238 5.778 338 2HD ARG 40 2HD ARG 40 -0.933 5.648 5.556 339 HE ARG 40 HE ARG 40 0.838 6.306 7.048 340 1HH1 ARG 40 1HH1 ARG 40 0.577 9.251 5.961 341 2HH1 ARG 40 2HH1 ARG 40 0.209 10.065 7.444 342 1HH2 ARG 40 1HH2 ARG 40 -0.530 7.145 9.168 343 2HH2 ARG 40 2HH2 ARG 40 -0.420 8.872 9.263 344 H VAL 41 H VAL 41 -3.012 5.119 1.739 345 HA VAL 41 HA VAL 41 -2.691 6.130 -1.006 346 HB VAL 41 HB VAL 41 -3.834 3.648 0.309 347 1HG1 VAL 41 1HG1 VAL 41 -4.383 4.573 -2.300 348 2HG1 VAL 41 2HG1 VAL 41 -4.671 2.954 -1.662 349 3HG1 VAL 41 3HG1 VAL 41 -3.157 3.320 -2.487 350 1HG2 VAL 41 1HG2 VAL 41 -1.781 2.645 -0.150 351 2HG2 VAL 41 2HG2 VAL 41 -1.285 4.295 0.223 352 3HG2 VAL 41 3HG2 VAL 41 -1.409 3.770 -1.456 353 H MET 42 H MET 42 -5.159 5.975 1.444 354 HA MET 42 HA MET 42 -7.466 6.203 -0.294 355 1HB MET 42 1HB MET 42 -6.794 5.932 2.481 356 2HB MET 42 2HB MET 42 -7.929 7.262 2.315 357 1HG MET 42 1HG MET 42 -8.772 5.100 0.619 358 2HG MET 42 2HG MET 42 -8.491 4.478 2.244 359 1HE MET 42 1HE MET 42 -10.830 6.211 4.535 360 2HE MET 42 2HE MET 42 -9.218 6.842 4.245 361 3HE MET 42 3HE MET 42 -9.489 5.101 4.252 362 H GLU 43 H GLU 43 -5.774 8.588 1.795 363 HA GLU 43 HA GLU 43 -7.360 10.827 0.918 364 1HB GLU 43 1HB GLU 43 -4.627 10.599 2.213 365 2HB GLU 43 2HB GLU 43 -5.551 12.096 2.093 366 1HG GLU 43 1HG GLU 43 -7.296 11.253 3.482 367 2HG GLU 43 2HG GLU 43 -6.690 9.601 3.361 368 H SER 44 H SER 44 -4.505 9.287 -0.436 369 HA SER 44 HA SER 44 -3.403 11.433 -1.926 370 1HB SER 44 1HB SER 44 -2.598 9.563 -3.402 371 2HB SER 44 2HB SER 44 -2.341 9.255 -1.685 372 HG SER 44 HG SER 44 -3.277 7.461 -2.749 373 H PHE 45 H PHE 45 -5.857 9.036 -2.996 374 HA PHE 45 HA PHE 45 -6.376 10.228 -5.538 375 1HB PHE 45 1HB PHE 45 -8.000 8.518 -3.634 376 2HB PHE 45 2HB PHE 45 -8.505 8.869 -5.287 377 HD1 PHE 45 HD1 PHE 45 -7.097 6.373 -3.413 378 HD2 PHE 45 HD2 PHE 45 -6.251 8.668 -6.971 379 HE1 PHE 45 HE1 PHE 45 -5.652 4.527 -4.261 380 HE2 PHE 45 HE2 PHE 45 -4.806 6.823 -7.818 381 HZ PHE 45 HZ PHE 45 -4.510 4.750 -6.466 382 H LYS 46 H LYS 46 -7.888 10.699 -2.347 383 HA LYS 46 HA LYS 46 -10.060 12.348 -3.095 384 1HB LYS 46 1HB LYS 46 -9.632 11.323 -0.873 385 2HB LYS 46 2HB LYS 46 -8.298 12.450 -0.626 386 1HG LYS 46 1HG LYS 46 -9.698 14.264 -0.325 387 2HG LYS 46 2HG LYS 46 -10.960 13.587 -1.345 388 1HD LYS 46 1HD LYS 46 -11.620 13.586 1.045 389 2HD LYS 46 2HD LYS 46 -11.520 11.947 0.401 390 1HE LYS 46 1HE LYS 46 -9.331 11.626 1.419 391 2HE LYS 46 2HE LYS 46 -9.301 13.317 1.959 392 1HZ LYS 46 1HZ LYS 46 -10.110 11.764 3.690 393 2HZ LYS 46 2HZ LYS 46 -11.410 11.360 2.683 394 3HZ LYS 46 3HZ LYS 46 -11.250 12.946 3.272 395 H LYS 47 H LYS 47 -6.647 13.068 -3.005 396 HA LYS 47 HA LYS 47 -6.903 15.954 -2.797 397 1HB LYS 47 1HB LYS 47 -4.915 14.354 -2.318 398 2HB LYS 47 2HB LYS 47 -4.625 14.425 -4.055 399 1HG LYS 47 1HG LYS 47 -4.394 16.842 -3.972 400 2HG LYS 47 2HG LYS 47 -4.842 16.862 -2.267 401 1HD LYS 47 1HD LYS 47 -2.807 16.028 -1.575 402 2HD LYS 47 2HD LYS 47 -2.542 15.139 -3.077 403 1HE LYS 47 1HE LYS 47 -1.099 16.841 -3.579 404 2HE LYS 47 2HE LYS 47 -2.571 17.766 -3.947 405 1HZ LYS 47 1HZ LYS 47 -1.274 17.559 -1.279 406 2HZ LYS 47 2HZ LYS 47 -2.700 18.417 -1.619 407 3HZ LYS 47 3HZ LYS 47 -1.224 18.917 -2.296 408 H GLU 48 H GLU 48 -5.865 13.919 -5.570 409 HA GLU 48 HA GLU 48 -6.047 15.919 -7.560 410 1HB GLU 48 1HB GLU 48 -6.413 12.912 -7.580 411 2HB GLU 48 2HB GLU 48 -6.327 13.868 -9.059 412 1HG GLU 48 1HG GLU 48 -4.156 14.826 -7.726 413 2HG GLU 48 2HG GLU 48 -4.183 13.161 -7.143 414 H GLY 49 H GLY 49 -8.573 13.932 -6.098 415 1HA GLY 49 1HA GLY 49 -10.880 14.720 -6.071 416 2HA GLY 49 2HA GLY 49 -10.580 15.534 -7.607 417 H ARG 50 H ARG 50 -9.553 12.228 -6.936 418 HA ARG 50 HA ARG 50 -11.070 11.290 -9.279 419 1HB ARG 50 1HB ARG 50 -9.209 9.952 -7.292 420 2HB ARG 50 2HB ARG 50 -9.826 9.184 -8.755 421 1HG ARG 50 1HG ARG 50 -8.465 11.846 -8.985 422 2HG ARG 50 2HG ARG 50 -7.479 10.399 -8.784 423 1HD ARG 50 1HD ARG 50 -7.655 10.304 -11.076 424 2HD ARG 50 2HD ARG 50 -9.222 9.554 -10.716 425 HE ARG 50 HE ARG 50 -9.461 12.422 -10.638 426 1HH1 ARG 50 1HH1 ARG 50 -7.955 11.182 -13.196 427 2HH1 ARG 50 2HH1 ARG 50 -9.255 11.310 -14.334 428 1HH2 ARG 50 1HH2 ARG 50 -11.650 11.975 -11.917 429 2HH2 ARG 50 2HH2 ARG 50 -11.350 11.762 -13.609 430 H ILE 51 H ILE 51 -10.980 10.614 -5.764 431 HA ILE 51 HA ILE 51 -13.580 9.151 -6.047 432 HB ILE 51 HB ILE 51 -12.910 8.225 -3.814 433 1HG1 ILE 51 1HG1 ILE 51 -10.210 9.460 -4.264 434 2HG1 ILE 51 2HG1 ILE 51 -11.450 10.357 -3.395 435 1HG2 ILE 51 1HG2 ILE 51 -12.300 7.109 -5.963 436 2HG2 ILE 51 2HG2 ILE 51 -11.130 6.798 -4.675 437 3HG2 ILE 51 3HG2 ILE 51 -10.760 7.974 -5.934 438 1HD1 ILE 51 1HD1 ILE 51 -9.747 8.370 -2.347 439 2HD1 ILE 51 2HD1 ILE 51 -11.340 7.637 -2.429 440 3HD1 ILE 51 3HD1 ILE 51 -11.110 9.139 -1.535 441 H GLY 52 H GLY 52 -15.090 9.488 -4.128 442 1HA GLY 52 1HA GLY 52 -15.010 12.356 -3.279 443 2HA GLY 52 2HA GLY 52 -16.500 11.460 -3.560 444 H ALA 53 H ALA 53 -16.110 9.121 -2.224 445 HA ALA 53 HA ALA 53 -15.020 9.547 0.454 446 1HB ALA 53 1HB ALA 53 -17.830 10.137 -0.266 447 2HB ALA 53 2HB ALA 53 -16.870 10.725 1.094 448 3HB ALA 53 3HB ALA 53 -17.630 9.137 1.173 449 1H MET 1 1H MET 1 -18.920 -17.915 -4.429 450 2H MET 1 2H MET 1 -19.360 -16.272 -4.436 451 3H MET 1 3H MET 1 -17.930 -16.770 -3.656 452 HA MET 1 HA MET 1 -18.460 -16.769 -6.583 453 1HB MET 1 1HB MET 1 -16.990 -15.132 -4.562 454 2HB MET 1 2HB MET 1 -16.240 -15.320 -6.148 455 1HG MET 1 1HG MET 1 -18.220 -14.451 -7.249 456 2HG MET 1 2HG MET 1 -19.100 -14.418 -5.724 457 1HE MET 1 1HE MET 1 -15.210 -13.269 -6.229 458 2HE MET 1 2HE MET 1 -15.640 -11.818 -7.127 459 3HE MET 1 3HE MET 1 -16.170 -13.394 -7.704 460 H LYS 2 H LYS 2 -16.290 -17.256 -7.730 461 HA LYS 2 HA LYS 2 -14.970 -19.572 -6.360 462 1HB LYS 2 1HB LYS 2 -16.450 -19.546 -8.630 463 2HB LYS 2 2HB LYS 2 -14.860 -19.224 -9.311 464 1HG LYS 2 1HG LYS 2 -14.830 -21.540 -9.298 465 2HG LYS 2 2HG LYS 2 -14.150 -21.216 -7.702 466 1HD LYS 2 1HD LYS 2 -16.390 -21.446 -6.698 467 2HD LYS 2 2HD LYS 2 -17.070 -21.780 -8.294 468 1HE LYS 2 1HE LYS 2 -14.760 -23.460 -7.377 469 2HE LYS 2 2HE LYS 2 -16.370 -23.789 -6.697 470 1HZ LYS 2 1HZ LYS 2 -15.960 -23.376 -9.597 471 2HZ LYS 2 2HZ LYS 2 -17.280 -24.097 -8.806 472 3HZ LYS 2 3HZ LYS 2 -15.790 -24.911 -8.896 473 H GLY 3 H GLY 3 -14.480 -16.629 -8.246 474 1HA GLY 3 1HA GLY 3 -11.980 -15.967 -7.193 475 2HA GLY 3 2HA GLY 3 -11.640 -16.953 -8.616 476 H MET 4 H MET 4 -11.980 -16.070 -10.663 477 HA MET 4 HA MET 4 -12.180 -14.323 -12.244 478 1HB MET 4 1HB MET 4 -14.470 -14.086 -10.317 479 2HB MET 4 2HB MET 4 -14.280 -12.851 -11.562 480 1HG MET 4 1HG MET 4 -15.710 -14.536 -12.494 481 2HG MET 4 2HG MET 4 -14.130 -14.742 -13.254 482 1HE MET 4 1HE MET 4 -13.560 -16.544 -13.870 483 2HE MET 4 2HE MET 4 -14.900 -17.691 -13.781 484 3HE MET 4 3HE MET 4 -13.350 -18.085 -13.024 485 H SER 5 H SER 5 -10.430 -13.883 -9.836 486 HA SER 5 HA SER 5 -10.430 -10.885 -9.909 487 1HB SER 5 1HB SER 5 -10.340 -12.838 -7.629 488 2HB SER 5 2HB SER 5 -9.511 -11.296 -7.460 489 HG SER 5 HG SER 5 -12.220 -11.872 -7.627 490 H LYS 6 H LYS 6 -8.211 -10.018 -9.306 491 HA LYS 6 HA LYS 6 -5.949 -11.893 -9.588 492 1HB LYS 6 1HB LYS 6 -6.967 -10.039 -11.711 493 2HB LYS 6 2HB LYS 6 -5.223 -10.275 -11.577 494 1HG LYS 6 1HG LYS 6 -6.019 -12.845 -11.417 495 2HG LYS 6 2HG LYS 6 -7.336 -12.201 -12.400 496 1HD LYS 6 1HD LYS 6 -5.961 -11.723 -14.180 497 2HD LYS 6 2HD LYS 6 -4.568 -11.392 -13.151 498 1HE LYS 6 1HE LYS 6 -5.603 -14.203 -13.216 499 2HE LYS 6 2HE LYS 6 -4.669 -13.623 -14.610 500 1HZ LYS 6 1HZ LYS 6 -3.373 -14.567 -12.634 501 2HZ LYS 6 2HZ LYS 6 -3.768 -13.116 -11.842 502 3HZ LYS 6 3HZ LYS 6 -2.858 -13.084 -13.276 503 H MET 7 H MET 7 -5.972 -10.702 -7.344 504 HA MET 7 HA MET 7 -4.198 -8.312 -7.600 505 1HB MET 7 1HB MET 7 -5.547 -7.153 -5.917 506 2HB MET 7 2HB MET 7 -6.594 -7.657 -7.240 507 1HG MET 7 1HG MET 7 -7.397 -9.551 -5.975 508 2HG MET 7 2HG MET 7 -6.208 -9.266 -4.704 509 1HE MET 7 1HE MET 7 -9.007 -7.626 -6.781 510 2HE MET 7 2HE MET 7 -7.881 -6.289 -6.560 511 3HE MET 7 3HE MET 7 -9.474 -6.222 -5.813 512 HA PRO 8 HA PRO 8 -1.845 -10.277 -4.451 513 1HB PRO 8 1HB PRO 8 -1.083 -8.194 -2.839 514 2HB PRO 8 2HB PRO 8 -0.395 -8.477 -4.452 515 1HG PRO 8 1HG PRO 8 -2.526 -6.568 -3.615 516 2HG PRO 8 2HG PRO 8 -1.183 -6.332 -4.744 517 1HD PRO 8 1HD PRO 8 -3.704 -6.805 -5.576 518 2HD PRO 8 2HD PRO 8 -2.280 -7.359 -6.483 519 H GLN 9 H GLN 9 -2.018 -11.076 -2.276 520 HA GLN 9 HA GLN 9 -4.644 -11.056 -1.113 521 1HB GLN 9 1HB GLN 9 -1.895 -11.896 -0.151 522 2HB GLN 9 2HB GLN 9 -3.371 -12.229 0.756 523 1HG GLN 9 1HG GLN 9 -4.151 -13.151 -1.644 524 2HG GLN 9 2HG GLN 9 -2.412 -13.409 -1.807 525 1HE2 GLN 9 1HE2 GLN 9 -5.235 -14.856 -0.652 526 2HE2 GLN 9 2HE2 GLN 9 -4.532 -15.973 0.415 527 H PHE 10 H PHE 10 -1.898 -8.950 -0.739 528 HA PHE 10 HA PHE 10 -2.447 -7.943 1.900 529 1HB PHE 10 1HB PHE 10 -0.305 -7.700 0.742 530 2HB PHE 10 2HB PHE 10 -1.075 -6.762 -0.538 531 HD1 PHE 10 HD1 PHE 10 -1.420 -4.418 -0.312 532 HD2 PHE 10 HD2 PHE 10 -0.334 -6.787 3.128 533 HE1 PHE 10 HE1 PHE 10 -1.095 -2.336 1.017 534 HE2 PHE 10 HE2 PHE 10 -0.011 -4.703 4.459 535 HZ PHE 10 HZ PHE 10 -0.390 -2.479 3.403 536 H LEU 11 H LEU 11 -3.908 -7.360 -1.209 537 HA LEU 11 HA LEU 11 -5.230 -4.871 -0.237 538 1HB LEU 11 1HB LEU 11 -5.046 -6.267 -2.923 539 2HB LEU 11 2HB LEU 11 -5.902 -4.747 -2.654 540 HG LEU 11 HG LEU 11 -2.956 -5.221 -2.107 541 1HD1 LEU 11 1HD1 LEU 11 -2.504 -3.979 -4.070 542 2HD1 LEU 11 2HD1 LEU 11 -4.163 -3.391 -4.182 543 3HD1 LEU 11 3HD1 LEU 11 -3.800 -5.078 -4.547 544 1HD2 LEU 11 1HD2 LEU 11 -3.188 -2.577 -2.047 545 2HD2 LEU 11 2HD2 LEU 11 -3.531 -3.536 -0.606 546 3HD2 LEU 11 3HD2 LEU 11 -4.856 -2.953 -1.613 547 H ASN 12 H ASN 12 -5.883 -7.825 0.513 548 HA ASN 12 HA ASN 12 -8.488 -8.385 -0.629 549 1HB ASN 12 1HB ASN 12 -6.565 -9.687 0.880 550 2HB ASN 12 2HB ASN 12 -7.881 -9.468 2.034 551 1HD2 ASN 12 1HD2 ASN 12 -6.762 -11.677 -0.149 552 2HD2 ASN 12 2HD2 ASN 12 -8.225 -12.400 -0.611 553 H ARG 13 H ARG 13 -7.334 -6.481 2.085 554 HA ARG 13 HA ARG 13 -9.981 -6.247 3.335 555 1HB ARG 13 1HB ARG 13 -7.175 -5.450 3.815 556 2HB ARG 13 2HB ARG 13 -8.378 -4.317 4.435 557 1HG ARG 13 1HG ARG 13 -7.975 -5.898 6.191 558 2HG ARG 13 2HG ARG 13 -9.539 -6.318 5.494 559 1HD ARG 13 1HD ARG 13 -7.736 -7.751 3.927 560 2HD ARG 13 2HD ARG 13 -7.082 -7.897 5.571 561 HE ARG 13 HE ARG 13 -9.841 -8.693 4.754 562 1HH1 ARG 13 1HH1 ARG 13 -9.399 -7.659 7.618 563 2HH1 ARG 13 2HH1 ARG 13 -9.173 -9.152 8.465 564 1HH2 ARG 13 1HH2 ARG 13 -8.625 -11.008 5.588 565 2HH2 ARG 13 2HH2 ARG 13 -8.734 -11.049 7.316 566 H TRP 14 H TRP 14 -8.099 -4.555 0.952 567 HA TRP 14 HA TRP 14 -9.345 -1.974 1.113 568 1HB TRP 14 1HB TRP 14 -7.901 -3.561 -1.015 569 2HB TRP 14 2HB TRP 14 -8.434 -1.907 -1.273 570 HD1 TRP 14 HD1 TRP 14 -7.044 -3.147 2.093 571 HE1 TRP 14 HE1 TRP 14 -4.857 -1.877 2.582 572 HE3 TRP 14 HE3 TRP 14 -6.541 -0.631 -2.292 573 HZ2 TRP 14 HZ2 TRP 14 -3.098 -0.013 1.268 574 HZ3 TRP 14 HZ3 TRP 14 -4.596 0.899 -2.680 575 HH2 TRP 14 HH2 TRP 14 -2.878 1.207 -0.899 576 HA PRO 15 HA PRO 15 -13.260 -3.136 -0.597 577 1HB PRO 15 1HB PRO 15 -14.140 -0.657 -1.351 578 2HB PRO 15 2HB PRO 15 -14.140 -1.223 0.328 579 1HG PRO 15 1HG PRO 15 -12.220 0.568 -1.064 580 2HG PRO 15 2HG PRO 15 -12.850 0.662 0.588 581 1HD PRO 15 1HD PRO 15 -10.370 -0.298 -0.015 582 2HD PRO 15 2HD PRO 15 -11.310 -0.834 1.398 583 H ARG 16 H ARG 16 -14.460 -2.882 -2.718 584 HA ARG 16 HA ARG 16 -12.630 -3.225 -4.937 585 1HB ARG 16 1HB ARG 16 -14.410 -4.611 -5.240 586 2HB ARG 16 2HB ARG 16 -15.430 -3.675 -4.160 587 1HG ARG 16 1HG ARG 16 -16.220 -2.315 -5.854 588 2HG ARG 16 2HG ARG 16 -14.830 -2.607 -6.897 589 1HD ARG 16 1HD ARG 16 -16.870 -3.794 -7.724 590 2HD ARG 16 2HD ARG 16 -15.600 -4.938 -7.270 591 HE ARG 16 HE ARG 16 -17.150 -4.419 -4.951 592 1HH1 ARG 16 1HH1 ARG 16 -16.750 -6.535 -7.546 593 2HH1 ARG 16 2HH1 ARG 16 -18.240 -7.382 -7.305 594 1HH2 ARG 16 1HH2 ARG 16 -19.380 -5.220 -4.843 595 2HH2 ARG 16 2HH2 ARG 16 -19.730 -6.638 -5.773 596 H GLU 17 H GLU 17 -14.450 -0.580 -3.584 597 HA GLU 17 HA GLU 17 -14.650 1.030 -5.979 598 1HB GLU 17 1HB GLU 17 -15.070 1.257 -3.049 599 2HB GLU 17 2HB GLU 17 -14.760 2.774 -3.891 600 1HG GLU 17 1HG GLU 17 -16.580 2.328 -5.453 601 2HG GLU 17 2HG GLU 17 -16.870 0.759 -4.703 602 H VAL 18 H VAL 18 -12.200 0.517 -3.514 603 HA VAL 18 HA VAL 18 -10.580 2.819 -4.403 604 HB VAL 18 HB VAL 18 -10.180 0.569 -2.397 605 1HG1 VAL 18 1HG1 VAL 18 -8.354 2.179 -1.557 606 2HG1 VAL 18 2HG1 VAL 18 -8.450 2.923 -3.155 607 3HG1 VAL 18 3HG1 VAL 18 -7.990 1.228 -2.997 608 1HG2 VAL 18 1HG2 VAL 18 -10.670 2.271 -0.743 609 2HG2 VAL 18 2HG2 VAL 18 -11.960 2.302 -1.943 610 3HG2 VAL 18 3HG2 VAL 18 -10.700 3.529 -1.977 611 H LEU 19 H LEU 19 -10.360 -0.750 -4.456 612 HA LEU 19 HA LEU 19 -7.868 -0.934 -5.814 613 1HB LEU 19 1HB LEU 19 -10.300 -2.705 -5.542 614 2HB LEU 19 2HB LEU 19 -8.851 -3.240 -6.395 615 HG LEU 19 HG LEU 19 -8.744 -2.126 -3.589 616 1HD1 LEU 19 1HD1 LEU 19 -9.283 -4.143 -2.673 617 2HD1 LEU 19 2HD1 LEU 19 -8.522 -5.051 -3.979 618 3HD1 LEU 19 3HD1 LEU 19 -10.140 -4.388 -4.194 619 1HD2 LEU 19 1HD2 LEU 19 -6.543 -2.867 -3.594 620 2HD2 LEU 19 2HD2 LEU 19 -6.734 -2.458 -5.300 621 3HD2 LEU 19 3HD2 LEU 19 -6.864 -4.138 -4.774 622 H ASP 20 H ASP 20 -11.150 -0.441 -6.991 623 HA ASP 20 HA ASP 20 -10.670 -1.066 -9.759 624 1HB ASP 20 1HB ASP 20 -12.880 -0.841 -8.578 625 2HB ASP 20 2HB ASP 20 -12.620 0.902 -8.509 626 H LEU 21 H LEU 21 -9.997 1.717 -7.767 627 HA LEU 21 HA LEU 21 -9.486 3.518 -10.039 628 1HB LEU 21 1HB LEU 21 -10.490 4.282 -7.928 629 2HB LEU 21 2HB LEU 21 -9.089 3.712 -7.034 630 HG LEU 21 HG LEU 21 -7.724 5.277 -8.587 631 1HD1 LEU 21 1HD1 LEU 21 -8.849 6.993 -9.713 632 2HD1 LEU 21 2HD1 LEU 21 -10.320 6.783 -8.761 633 3HD1 LEU 21 3HD1 LEU 21 -9.901 5.609 -10.010 634 1HD2 LEU 21 1HD2 LEU 21 -8.395 7.263 -7.114 635 2HD2 LEU 21 2HD2 LEU 21 -7.920 5.792 -6.268 636 3HD2 LEU 21 3HD2 LEU 21 -9.626 6.204 -6.427 637 H VAL 22 H VAL 22 -7.607 1.862 -7.485 638 HA VAL 22 HA VAL 22 -5.012 2.760 -8.090 639 HB VAL 22 HB VAL 22 -5.932 -0.025 -7.299 640 1HG1 VAL 22 1HG1 VAL 22 -3.770 -0.307 -6.347 641 2HG1 VAL 22 2HG1 VAL 22 -3.391 1.408 -6.511 642 3HG1 VAL 22 3HG1 VAL 22 -3.484 0.384 -7.943 643 1HG2 VAL 22 1HG2 VAL 22 -5.170 1.342 -5.008 644 2HG2 VAL 22 2HG2 VAL 22 -6.833 1.035 -5.510 645 3HG2 VAL 22 3HG2 VAL 22 -6.053 2.562 -5.926 646 H ARG 23 H ARG 23 -6.847 0.056 -9.519 647 HA ARG 23 HA ARG 23 -4.945 -1.096 -11.213 648 1HB ARG 23 1HB ARG 23 -7.580 -1.370 -10.702 649 2HB ARG 23 2HB ARG 23 -7.680 -0.574 -12.272 650 1HG ARG 23 1HG ARG 23 -6.840 -2.373 -13.386 651 2HG ARG 23 2HG ARG 23 -5.699 -2.756 -12.097 652 1HD ARG 23 1HD ARG 23 -8.687 -3.255 -11.886 653 2HD ARG 23 2HD ARG 23 -7.509 -4.494 -12.360 654 HE ARG 23 HE ARG 23 -6.891 -3.039 -9.872 655 1HH1 ARG 23 1HH1 ARG 23 -9.443 -4.968 -10.197 656 2HH1 ARG 23 2HH1 ARG 23 -8.825 -6.340 -9.338 657 1HH2 ARG 23 1HH2 ARG 23 -5.561 -5.164 -9.282 658 2HH2 ARG 23 2HH2 ARG 23 -6.625 -6.452 -8.820 659 H LYS 24 H LYS 24 -7.287 1.393 -12.241 660 HA LYS 24 HA LYS 24 -6.199 1.977 -14.768 661 1HB LYS 24 1HB LYS 24 -8.141 2.985 -12.922 662 2HB LYS 24 2HB LYS 24 -7.222 4.354 -13.551 663 1HG LYS 24 1HG LYS 24 -8.943 4.083 -15.133 664 2HG LYS 24 2HG LYS 24 -7.576 3.252 -15.874 665 1HD LYS 24 1HD LYS 24 -8.413 1.103 -15.202 666 2HD LYS 24 2HD LYS 24 -9.641 1.838 -14.169 667 1HE LYS 24 1HE LYS 24 -10.800 1.210 -16.168 668 2HE LYS 24 2HE LYS 24 -10.520 2.956 -16.337 669 1HZ LYS 24 1HZ LYS 24 -9.772 1.900 -18.330 670 2HZ LYS 24 2HZ LYS 24 -8.862 0.761 -17.458 671 3HZ LYS 24 3HZ LYS 24 -8.400 2.396 -17.463 672 H VAL 25 H VAL 25 -5.066 2.962 -11.599 673 HA VAL 25 HA VAL 25 -3.400 5.156 -12.581 674 HB VAL 25 HB VAL 25 -3.390 3.637 -9.954 675 1HG1 VAL 25 1HG1 VAL 25 -2.585 6.501 -10.507 676 2HG1 VAL 25 2HG1 VAL 25 -1.429 5.168 -10.512 677 3HG1 VAL 25 3HG1 VAL 25 -2.312 5.567 -9.035 678 1HG2 VAL 25 1HG2 VAL 25 -4.702 6.234 -9.959 679 2HG2 VAL 25 2HG2 VAL 25 -5.315 4.678 -9.403 680 3HG2 VAL 25 3HG2 VAL 25 -5.471 5.131 -11.099 681 H ALA 26 H ALA 26 -2.948 1.730 -11.872 682 HA ALA 26 HA ALA 26 -0.037 1.819 -11.996 683 1HB ALA 26 1HB ALA 26 -0.422 -0.698 -12.077 684 2HB ALA 26 2HB ALA 26 -2.150 -0.349 -12.083 685 3HB ALA 26 3HB ALA 26 -1.161 0.124 -10.702 686 H GLU 27 H GLU 27 -2.674 1.346 -14.274 687 HA GLU 27 HA GLU 27 -0.876 0.377 -16.405 688 1HB GLU 27 1HB GLU 27 -3.699 0.431 -15.752 689 2HB GLU 27 2HB GLU 27 -3.439 1.004 -17.399 690 1HG GLU 27 1HG GLU 27 -2.490 -1.007 -18.096 691 2HG GLU 27 2HG GLU 27 -2.006 -1.462 -16.462 692 H GLU 28 H GLU 28 -2.035 3.427 -15.234 693 HA GLU 28 HA GLU 28 -1.739 4.742 -17.875 694 1HB GLU 28 1HB GLU 28 -2.623 6.673 -16.710 695 2HB GLU 28 2HB GLU 28 -3.551 5.264 -16.200 696 1HG GLU 28 1HG GLU 28 -2.283 5.106 -14.141 697 2HG GLU 28 2HG GLU 28 -1.192 6.386 -14.662 698 H ASN 29 H ASN 29 -0.017 4.480 -14.797 699 HA ASN 29 HA ASN 29 1.960 6.527 -15.468 700 1HB ASN 29 1HB ASN 29 1.337 4.597 -13.292 701 2HB ASN 29 2HB ASN 29 3.020 5.104 -13.420 702 1HD2 ASN 29 1HD2 ASN 29 -0.089 6.055 -12.285 703 2HD2 ASN 29 2HD2 ASN 29 0.295 7.664 -11.907 704 H GLY 30 H GLY 30 1.632 3.057 -15.888 705 1HA GLY 30 1HA GLY 30 2.931 1.915 -17.618 706 2HA GLY 30 2HA GLY 30 4.248 3.050 -17.317 707 H ARG 31 H ARG 31 2.547 1.698 -14.603 708 HA ARG 31 HA ARG 31 4.822 -0.199 -14.116 709 1HB ARG 31 1HB ARG 31 3.473 1.516 -12.012 710 2HB ARG 31 2HB ARG 31 4.980 0.617 -11.863 711 1HG ARG 31 1HG ARG 31 5.488 2.267 -14.016 712 2HG ARG 31 2HG ARG 31 4.500 3.291 -12.973 713 1HD ARG 31 1HD ARG 31 6.029 2.650 -11.049 714 2HD ARG 31 2HD ARG 31 7.097 1.896 -12.250 715 HE ARG 31 HE ARG 31 6.256 4.736 -12.618 716 1HH1 ARG 31 1HH1 ARG 31 8.535 4.078 -10.640 717 2HH1 ARG 31 2HH1 ARG 31 9.914 4.334 -11.655 718 1HH2 ARG 31 1HH2 ARG 31 8.085 4.298 -14.599 719 2HH2 ARG 31 2HH2 ARG 31 9.660 4.457 -13.898 720 H SER 32 H SER 32 3.825 -1.068 -11.608 721 HA SER 32 HA SER 32 1.333 -2.494 -12.449 722 1HB SER 32 1HB SER 32 3.838 -3.182 -11.033 723 2HB SER 32 2HB SER 32 2.381 -3.857 -10.309 724 HG SER 32 HG SER 32 1.875 -4.485 -12.579 725 H VAL 33 H VAL 33 0.153 -3.227 -10.222 726 HA VAL 33 HA VAL 33 -0.712 -0.759 -8.968 727 HB VAL 33 HB VAL 33 -1.294 -3.701 -8.525 728 1HG1 VAL 33 1HG1 VAL 33 -2.251 -1.224 -7.197 729 2HG1 VAL 33 2HG1 VAL 33 -2.150 -2.870 -6.573 730 3HG1 VAL 33 3HG1 VAL 33 -3.485 -2.408 -7.628 731 1HG2 VAL 33 1HG2 VAL 33 -3.028 -3.436 -10.059 732 2HG2 VAL 33 2HG2 VAL 33 -1.813 -2.354 -10.745 733 3HG2 VAL 33 3HG2 VAL 33 -3.140 -1.694 -9.786 734 H ASN 34 H ASN 34 1.687 -3.172 -8.254 735 HA ASN 34 HA ASN 34 1.801 -2.725 -5.367 736 1HB ASN 34 1HB ASN 34 2.607 -4.729 -6.802 737 2HB ASN 34 2HB ASN 34 4.007 -3.729 -7.184 738 1HD2 ASN 34 1HD2 ASN 34 5.122 -5.615 -5.936 739 2HD2 ASN 34 2HD2 ASN 34 5.241 -5.452 -4.251 740 H SER 35 H SER 35 3.235 -1.300 -8.243 741 HA SER 35 HA SER 35 5.164 0.319 -6.722 742 1HB SER 35 1HB SER 35 4.605 -0.470 -9.455 743 2HB SER 35 2HB SER 35 4.816 1.277 -9.366 744 HG SER 35 HG SER 35 6.831 0.395 -9.590 745 H GLU 36 H GLU 36 2.029 0.749 -8.366 746 HA GLU 36 HA GLU 36 1.779 3.568 -8.141 747 1HB GLU 36 1HB GLU 36 0.364 1.866 -9.393 748 2HB GLU 36 2HB GLU 36 -0.381 1.460 -7.845 749 1HG GLU 36 1HG GLU 36 -0.278 4.344 -8.411 750 2HG GLU 36 2HG GLU 36 -1.274 3.418 -9.532 751 H ILE 37 H ILE 37 0.608 0.993 -5.935 752 HA ILE 37 HA ILE 37 -0.352 2.743 -3.877 753 HB ILE 37 HB ILE 37 0.736 -0.097 -3.807 754 1HG1 ILE 37 1HG1 ILE 37 -1.148 0.313 -5.406 755 2HG1 ILE 37 2HG1 ILE 37 -1.591 -0.773 -4.091 756 1HG2 ILE 37 1HG2 ILE 37 -0.645 1.623 -1.790 757 2HG2 ILE 37 2HG2 ILE 37 0.594 0.391 -1.552 758 3HG2 ILE 37 3HG2 ILE 37 -1.080 -0.085 -1.854 759 1HD1 ILE 37 1HD1 ILE 37 -2.241 2.182 -4.293 760 2HD1 ILE 37 2HD1 ILE 37 -2.561 1.193 -2.868 761 3HD1 ILE 37 3HD1 ILE 37 -3.383 0.841 -4.388 762 H TYR 38 H TYR 38 2.840 1.527 -4.694 763 HA TYR 38 HA TYR 38 4.116 2.184 -2.174 764 1HB TYR 38 1HB TYR 38 4.934 0.482 -3.734 765 2HB TYR 38 2HB TYR 38 5.118 1.698 -4.997 766 HD1 TYR 38 HD1 TYR 38 7.332 2.255 -5.390 767 HD2 TYR 38 HD2 TYR 38 6.036 1.490 -1.355 768 HE1 TYR 38 HE1 TYR 38 9.629 2.776 -4.560 769 HE2 TYR 38 HE2 TYR 38 8.327 2.008 -0.513 770 HH TYR 38 HH TYR 38 10.401 3.617 -1.694 771 H GLN 39 H GLN 39 3.322 3.935 -5.099 772 HA GLN 39 HA GLN 39 5.192 6.139 -4.635 773 1HB GLN 39 1HB GLN 39 3.718 5.110 -6.741 774 2HB GLN 39 2HB GLN 39 2.832 6.582 -6.339 775 1HG GLN 39 1HG GLN 39 4.384 7.713 -7.521 776 2HG GLN 39 2HG GLN 39 5.521 7.339 -6.224 777 1HE2 GLN 39 1HE2 GLN 39 5.909 4.582 -6.578 778 2HE2 GLN 39 2HE2 GLN 39 6.602 4.291 -8.100 779 H ARG 40 H ARG 40 1.633 5.749 -4.426 780 HA ARG 40 HA ARG 40 1.064 8.327 -3.337 781 1HB ARG 40 1HB ARG 40 -0.225 5.614 -3.420 782 2HB ARG 40 2HB ARG 40 -0.952 6.863 -2.413 783 1HG ARG 40 1HG ARG 40 -1.982 6.970 -4.607 784 2HG ARG 40 2HG ARG 40 -0.945 8.386 -4.419 785 1HD ARG 40 1HD ARG 40 0.715 7.516 -5.858 786 2HD ARG 40 2HD ARG 40 0.102 5.858 -5.704 787 HE ARG 40 HE ARG 40 -1.718 6.424 -7.176 788 1HH1 ARG 40 1HH1 ARG 40 -1.716 9.335 -5.968 789 2HH1 ARG 40 2HH1 ARG 40 -1.414 10.238 -7.416 790 1HH2 ARG 40 1HH2 ARG 40 -0.429 7.470 -9.256 791 2HH2 ARG 40 2HH2 ARG 40 -0.686 9.184 -9.274 792 H VAL 41 H VAL 41 2.216 5.345 -1.911 793 HA VAL 41 HA VAL 41 1.804 6.210 0.870 794 HB VAL 41 HB VAL 41 3.146 3.888 -0.542 795 1HG1 VAL 41 1HG1 VAL 41 3.626 4.737 2.107 796 2HG1 VAL 41 2HG1 VAL 41 4.041 3.177 1.397 797 3HG1 VAL 41 3HG1 VAL 41 2.505 3.384 2.235 798 1HG2 VAL 41 1HG2 VAL 41 1.171 2.725 -0.166 799 2HG2 VAL 41 2HG2 VAL 41 0.549 4.356 -0.408 800 3HG2 VAL 41 3HG2 VAL 41 0.731 3.714 1.226 801 H MET 42 H MET 42 4.279 6.384 -1.569 802 HA MET 42 HA MET 42 6.557 6.727 0.194 803 1HB MET 42 1HB MET 42 5.912 6.523 -2.596 804 2HB MET 42 2HB MET 42 6.933 7.935 -2.365 805 1HG MET 42 1HG MET 42 7.949 5.775 -0.760 806 2HG MET 42 2HG MET 42 7.726 5.208 -2.414 807 1HE MET 42 1HE MET 42 9.916 7.228 -4.611 808 2HE MET 42 2HE MET 42 8.250 7.702 -4.302 809 3HE MET 42 3HE MET 42 8.671 5.993 -4.379 810 H GLU 43 H GLU 43 4.670 9.044 -1.798 811 HA GLU 43 HA GLU 43 6.049 11.374 -0.821 812 1HB GLU 43 1HB GLU 43 3.349 10.954 -2.134 813 2HB GLU 43 2HB GLU 43 4.135 12.524 -1.950 814 1HG GLU 43 1HG GLU 43 5.953 11.893 -3.360 815 2HG GLU 43 2HG GLU 43 5.493 10.191 -3.313 816 H SER 44 H SER 44 3.331 9.538 0.445 817 HA SER 44 HA SER 44 2.049 11.512 2.024 818 1HB SER 44 1HB SER 44 1.406 9.516 3.412 819 2HB SER 44 2HB SER 44 1.181 9.265 1.682 820 HG SER 44 HG SER 44 2.260 7.511 2.682 821 H PHE 45 H PHE 45 4.702 9.294 3.005 822 HA PHE 45 HA PHE 45 5.114 10.420 5.596 823 1HB PHE 45 1HB PHE 45 6.886 8.950 3.627 824 2HB PHE 45 2HB PHE 45 7.351 9.263 5.299 825 HD1 PHE 45 HD1 PHE 45 6.169 6.750 3.296 826 HD2 PHE 45 HD2 PHE 45 5.122 8.787 6.954 827 HE1 PHE 45 HE1 PHE 45 4.897 4.745 4.048 828 HE2 PHE 45 HE2 PHE 45 3.852 6.780 7.709 829 HZ PHE 45 HZ PHE 45 3.745 4.757 6.257 830 H LYS 46 H LYS 46 6.590 11.149 2.435 831 HA LYS 46 HA LYS 46 8.607 12.949 3.264 832 1HB LYS 46 1HB LYS 46 8.272 11.987 1.000 833 2HB LYS 46 2HB LYS 46 6.846 13.004 0.792 834 1HG LYS 46 1HG LYS 46 8.088 14.942 0.576 835 2HG LYS 46 2HG LYS 46 9.407 14.333 1.574 836 1HD LYS 46 1HD LYS 46 10.067 14.492 -0.811 837 2HD LYS 46 2HD LYS 46 10.106 12.826 -0.235 838 1HE LYS 46 1HE LYS 46 7.951 12.357 -1.274 839 2HE LYS 46 2HE LYS 46 7.774 14.058 -1.746 840 1HZ LYS 46 1HZ LYS 46 8.714 12.657 -3.536 841 2HZ LYS 46 2HZ LYS 46 10.051 12.322 -2.543 842 3HZ LYS 46 3HZ LYS 46 9.753 13.911 -3.067 843 H LYS 47 H LYS 47 5.144 13.375 3.188 844 HA LYS 47 HA LYS 47 5.148 16.278 3.107 845 1HB LYS 47 1HB LYS 47 3.308 14.531 2.553 846 2HB LYS 47 2HB LYS 47 3.013 14.506 4.293 847 1HG LYS 47 1HG LYS 47 2.570 16.892 4.310 848 2HG LYS 47 2HG LYS 47 3.019 17.024 2.608 849 1HD LYS 47 1HD LYS 47 1.065 16.041 1.871 850 2HD LYS 47 2HD LYS 47 0.878 15.071 3.333 851 1HE LYS 47 1HE LYS 47 -0.711 16.618 3.899 852 2HE LYS 47 2HE LYS 47 0.673 17.649 4.313 853 1HZ LYS 47 1HZ LYS 47 -0.595 17.446 1.633 854 2HZ LYS 47 2HZ LYS 47 0.751 18.408 2.016 855 3HZ LYS 47 3HZ LYS 47 -0.764 18.750 2.704 856 H GLU 48 H GLU 48 4.289 14.041 5.784 857 HA GLU 48 HA GLU 48 4.293 15.964 7.859 858 1HB GLU 48 1HB GLU 48 4.919 13.001 7.758 859 2HB GLU 48 2HB GLU 48 4.745 13.886 9.275 860 1HG GLU 48 1HG GLU 48 2.498 14.697 7.970 861 2HG GLU 48 2HG GLU 48 2.677 13.067 7.321 862 H GLY 49 H GLY 49 6.982 14.265 6.326 863 1HA GLY 49 1HA GLY 49 9.217 15.245 6.345 864 2HA GLY 49 2HA GLY 49 8.846 15.965 7.913 865 H ARG 50 H ARG 50 8.106 12.612 7.099 866 HA ARG 50 HA ARG 50 9.698 11.712 9.408 867 1HB ARG 50 1HB ARG 50 7.957 10.310 7.353 868 2HB ARG 50 2HB ARG 50 8.636 9.532 8.783 869 1HG ARG 50 1HG ARG 50 7.059 12.060 9.123 870 2HG ARG 50 2HG ARG 50 6.194 10.545 8.854 871 1HD ARG 50 1HD ARG 50 6.384 10.354 11.141 872 2HD ARG 50 2HD ARG 50 8.013 9.768 10.750 873 HE ARG 50 HE ARG 50 7.993 12.645 10.803 874 1HH1 ARG 50 1HH1 ARG 50 6.598 11.165 13.292 875 2HH1 ARG 50 2HH1 ARG 50 7.880 11.355 14.442 876 1HH2 ARG 50 1HH2 ARG 50 10.219 12.329 12.074 877 2HH2 ARG 50 2HH2 ARG 50 9.930 12.012 13.752 878 H ILE 51 H ILE 51 9.672 11.182 5.867 879 HA ILE 51 HA ILE 51 12.390 9.945 6.101 880 HB ILE 51 HB ILE 51 11.812 9.062 3.823 881 1HG1 ILE 51 1HG1 ILE 51 9.005 10.029 4.316 882 2HG1 ILE 51 2HG1 ILE 51 10.163 11.072 3.490 883 1HG2 ILE 51 1HG2 ILE 51 11.294 7.800 5.917 884 2HG2 ILE 51 2HG2 ILE 51 10.165 7.446 4.609 885 3HG2 ILE 51 3HG2 ILE 51 9.687 8.526 5.920 886 1HD1 ILE 51 1HD1 ILE 51 8.640 8.986 2.351 887 2HD1 ILE 51 2HD1 ILE 51 10.301 8.392 2.413 888 3HD1 ILE 51 3HD1 ILE 51 9.933 9.904 1.579 889 H GLY 52 H GLY 52 13.864 10.493 4.208 890 1HA GLY 52 1HA GLY 52 13.536 13.375 3.474 891 2HA GLY 52 2HA GLY 52 15.101 12.603 3.730 892 H ALA 53 H ALA 53 14.922 10.292 2.291 893 HA ALA 53 HA ALA 53 13.802 10.739 -0.373 894 1HB ALA 53 1HB ALA 53 16.548 11.535 0.382 895 2HB ALA 53 2HB ALA 53 15.545 12.097 -0.957 896 3HB ALA 53 3HB ALA 53 16.439 10.584 -1.100 Start of MODEL 7 1 1H MET 1 1H MET 1 -0.727 -16.441 18.086 2 2H MET 1 2H MET 1 -0.796 -15.102 19.129 3 3H MET 1 3H MET 1 0.280 -15.103 17.815 4 HA MET 1 HA MET 1 -1.433 -14.852 16.244 5 1HB MET 1 1HB MET 1 -2.790 -16.642 17.247 6 2HB MET 1 2HB MET 1 -3.212 -15.585 18.595 7 1HG MET 1 1HG MET 1 -5.068 -15.328 17.205 8 2HG MET 1 2HG MET 1 -4.062 -13.973 16.697 9 1HE MET 1 1HE MET 1 -5.771 -14.010 15.064 10 2HE MET 1 2HE MET 1 -6.390 -15.525 14.411 11 3HE MET 1 3HE MET 1 -5.353 -14.503 13.418 12 H LYS 2 H LYS 2 -0.692 -12.670 16.289 13 HA LYS 2 HA LYS 2 -2.516 -10.722 17.418 14 1HB LYS 2 1HB LYS 2 -0.949 -11.719 19.309 15 2HB LYS 2 2HB LYS 2 0.233 -10.605 18.622 16 1HG LYS 2 1HG LYS 2 -0.916 -8.741 19.309 17 2HG LYS 2 2HG LYS 2 -2.490 -9.514 19.119 18 1HD LYS 2 1HD LYS 2 -2.407 -9.513 21.416 19 2HD LYS 2 2HD LYS 2 -1.532 -11.019 21.132 20 1HE LYS 2 1HE LYS 2 0.340 -8.854 20.921 21 2HE LYS 2 2HE LYS 2 -0.562 -8.678 22.440 22 1HZ LYS 2 1HZ LYS 2 1.126 -10.203 22.937 23 2HZ LYS 2 2HZ LYS 2 0.948 -11.032 21.465 24 3HZ LYS 2 3HZ LYS 2 -0.239 -11.172 22.672 25 H GLY 3 H GLY 3 -2.362 -8.942 16.099 26 1HA GLY 3 1HA GLY 3 -1.310 -7.258 14.794 27 2HA GLY 3 2HA GLY 3 0.238 -8.064 15.055 28 H MET 4 H MET 4 -2.722 -9.560 13.805 29 HA MET 4 HA MET 4 -3.096 -10.702 11.770 30 1HB MET 4 1HB MET 4 -2.217 -8.080 11.317 31 2HB MET 4 2HB MET 4 -1.263 -9.062 10.206 32 1HG MET 4 1HG MET 4 -3.109 -8.862 8.874 33 2HG MET 4 2HG MET 4 -3.705 -10.195 9.863 34 1HE MET 4 1HE MET 4 -6.503 -8.987 11.830 35 2HE MET 4 2HE MET 4 -5.089 -10.037 11.864 36 3HE MET 4 3HE MET 4 -6.147 -10.042 10.455 37 H SER 5 H SER 5 -1.280 -11.055 9.587 38 HA SER 5 HA SER 5 0.513 -13.084 10.769 39 1HB SER 5 1HB SER 5 -0.595 -12.351 8.088 40 2HB SER 5 2HB SER 5 0.880 -13.310 8.135 41 HG SER 5 HG SER 5 -1.683 -13.901 9.156 42 H LYS 6 H LYS 6 2.683 -13.170 9.207 43 HA LYS 6 HA LYS 6 4.317 -10.963 10.086 44 1HB LYS 6 1HB LYS 6 6.024 -12.150 8.709 45 2HB LYS 6 2HB LYS 6 5.126 -13.257 9.749 46 1HG LYS 6 1HG LYS 6 3.848 -14.099 7.957 47 2HG LYS 6 2HG LYS 6 4.226 -12.721 6.923 48 1HD LYS 6 1HD LYS 6 5.648 -14.346 6.047 49 2HD LYS 6 2HD LYS 6 6.706 -13.556 7.217 50 1HE LYS 6 1HE LYS 6 6.990 -15.560 8.234 51 2HE LYS 6 2HE LYS 6 5.261 -15.558 8.638 52 1HZ LYS 6 1HZ LYS 6 5.881 -17.467 7.241 53 2HZ LYS 6 2HZ LYS 6 6.395 -16.401 6.022 54 3HZ LYS 6 3HZ LYS 6 4.757 -16.454 6.474 55 H MET 7 H MET 7 5.915 -10.379 7.869 56 HA MET 7 HA MET 7 4.604 -8.200 6.638 57 1HB MET 7 1HB MET 7 7.029 -9.887 6.085 58 2HB MET 7 2HB MET 7 6.564 -8.644 4.922 59 1HG MET 7 1HG MET 7 6.579 -6.956 6.735 60 2HG MET 7 2HG MET 7 7.089 -8.201 7.875 61 1HE MET 7 1HE MET 7 8.506 -5.358 5.655 62 2HE MET 7 2HE MET 7 9.887 -5.500 6.739 63 3HE MET 7 3HE MET 7 8.254 -5.550 7.396 64 HA PRO 8 HA PRO 8 2.162 -10.306 3.595 65 1HB PRO 8 1HB PRO 8 1.502 -8.154 2.046 66 2HB PRO 8 2HB PRO 8 0.772 -8.456 3.636 67 1HG PRO 8 1HG PRO 8 2.888 -6.530 2.860 68 2HG PRO 8 2HG PRO 8 1.611 -6.381 4.076 69 1HD PRO 8 1HD PRO 8 4.258 -6.958 4.621 70 2HD PRO 8 2HD PRO 8 2.894 -7.308 5.704 71 H GLN 9 H GLN 9 2.278 -10.861 1.291 72 HA GLN 9 HA GLN 9 5.002 -10.748 0.217 73 1HB GLN 9 1HB GLN 9 2.621 -12.326 0.003 74 2HB GLN 9 2HB GLN 9 3.077 -11.803 -1.619 75 1HG GLN 9 1HG GLN 9 4.172 -13.944 -0.998 76 2HG GLN 9 2HG GLN 9 5.348 -12.663 -1.290 77 1HE2 GLN 9 1HE2 GLN 9 3.354 -13.004 1.664 78 2HE2 GLN 9 2HE2 GLN 9 4.666 -13.277 2.708 79 H PHE 10 H PHE 10 2.502 -8.538 0.153 80 HA PHE 10 HA PHE 10 2.768 -7.732 -2.675 81 1HB PHE 10 1HB PHE 10 0.597 -7.629 -1.605 82 2HB PHE 10 2HB PHE 10 1.251 -6.705 -0.255 83 HD1 PHE 10 HD1 PHE 10 1.524 -4.328 -0.375 84 HD2 PHE 10 HD2 PHE 10 0.501 -6.584 -3.911 85 HE1 PHE 10 HE1 PHE 10 1.058 -2.206 -1.594 86 HE2 PHE 10 HE2 PHE 10 0.033 -4.462 -5.129 87 HZ PHE 10 HZ PHE 10 0.311 -2.272 -3.970 88 H LEU 11 H LEU 11 4.092 -6.906 0.454 89 HA LEU 11 HA LEU 11 5.251 -4.370 -0.600 90 1HB LEU 11 1HB LEU 11 5.161 -5.651 2.152 91 2HB LEU 11 2HB LEU 11 5.821 -4.050 1.808 92 HG LEU 11 HG LEU 11 2.992 -4.815 1.067 93 1HD1 LEU 11 1HD1 LEU 11 3.524 -3.108 3.448 94 2HD1 LEU 11 2HD1 LEU 11 3.791 -4.841 3.642 95 3HD1 LEU 11 3HD1 LEU 11 2.206 -4.243 3.149 96 1HD2 LEU 11 1HD2 LEU 11 4.426 -2.175 1.485 97 2HD2 LEU 11 2HD2 LEU 11 2.717 -2.342 1.090 98 3HD2 LEU 11 3HD2 LEU 11 3.943 -2.857 -0.068 99 H ASN 12 H ASN 12 6.174 -7.142 -1.403 100 HA ASN 12 HA ASN 12 8.739 -7.601 -0.105 101 1HB ASN 12 1HB ASN 12 6.970 -8.956 -1.771 102 2HB ASN 12 2HB ASN 12 8.362 -8.659 -2.813 103 1HD2 ASN 12 1HD2 ASN 12 7.187 -10.576 -0.171 104 2HD2 ASN 12 2HD2 ASN 12 8.635 -11.404 0.148 105 H ARG 13 H ARG 13 7.613 -5.588 -2.726 106 HA ARG 13 HA ARG 13 10.325 -5.201 -3.839 107 1HB ARG 13 1HB ARG 13 8.074 -5.351 -5.098 108 2HB ARG 13 2HB ARG 13 7.786 -3.711 -4.517 109 1HG ARG 13 1HG ARG 13 9.251 -2.817 -5.991 110 2HG ARG 13 2HG ARG 13 10.459 -4.061 -5.666 111 1HD ARG 13 1HD ARG 13 8.013 -4.836 -7.226 112 2HD ARG 13 2HD ARG 13 9.305 -3.938 -8.050 113 HE ARG 13 HE ARG 13 9.946 -6.388 -6.460 114 1HH1 ARG 13 1HH1 ARG 13 9.015 -6.793 -9.324 115 2HH1 ARG 13 2HH1 ARG 13 10.527 -6.840 -10.169 116 1HH2 ARG 13 1HH2 ARG 13 12.335 -5.457 -7.555 117 2HH2 ARG 13 2HH2 ARG 13 12.405 -6.085 -9.169 118 H TRP 14 H TRP 14 8.440 -3.861 -1.334 119 HA TRP 14 HA TRP 14 9.307 -1.097 -1.526 120 1HB TRP 14 1HB TRP 14 8.051 -2.874 0.564 121 2HB TRP 14 2HB TRP 14 8.413 -1.181 0.869 122 HD1 TRP 14 HD1 TRP 14 7.162 -2.433 -2.545 123 HE1 TRP 14 HE1 TRP 14 4.849 -1.386 -2.992 124 HE3 TRP 14 HE3 TRP 14 6.388 -0.174 1.938 125 HZ2 TRP 14 HZ2 TRP 14 2.895 0.225 -1.601 126 HZ3 TRP 14 HZ3 TRP 14 4.290 1.114 2.384 127 HH2 TRP 14 HH2 TRP 14 2.550 1.314 0.614 128 HA PRO 15 HA PRO 15 13.333 -1.767 0.209 129 1HB PRO 15 1HB PRO 15 13.875 0.786 1.030 130 2HB PRO 15 2HB PRO 15 13.943 0.278 -0.668 131 1HG PRO 15 1HG PRO 15 11.810 1.761 0.783 132 2HG PRO 15 2HG PRO 15 12.404 1.973 -0.871 133 1HD PRO 15 1HD PRO 15 10.083 0.677 -0.256 134 2HD PRO 15 2HD PRO 15 11.047 0.332 -1.708 135 H ARG 16 H ARG 16 14.505 -1.156 2.381 136 HA ARG 16 HA ARG 16 12.745 -1.925 4.564 137 1HB ARG 16 1HB ARG 16 14.760 -2.948 4.851 138 2HB ARG 16 2HB ARG 16 15.590 -1.786 3.835 139 1HG ARG 16 1HG ARG 16 16.084 -0.379 5.589 140 2HG ARG 16 2HG ARG 16 14.718 -0.920 6.562 141 1HD ARG 16 1HD ARG 16 16.383 -2.054 7.693 142 2HD ARG 16 2HD ARG 16 16.114 -3.244 6.404 143 HE ARG 16 HE ARG 16 18.146 -1.064 6.104 144 1HH1 ARG 16 1HH1 ARG 16 17.247 -3.303 4.077 145 2HH1 ARG 16 2HH1 ARG 16 18.637 -4.332 4.162 146 1HH2 ARG 16 1HH2 ARG 16 19.896 -2.839 7.027 147 2HH2 ARG 16 2HH2 ARG 16 20.136 -4.071 5.833 148 H GLU 17 H GLU 17 14.127 1.020 3.290 149 HA GLU 17 HA GLU 17 13.968 2.611 5.691 150 1HB GLU 17 1HB GLU 17 13.955 3.260 2.727 151 2HB GLU 17 2HB GLU 17 14.129 4.472 3.996 152 1HG GLU 17 1HG GLU 17 16.144 3.307 4.830 153 2HG GLU 17 2HG GLU 17 15.978 2.112 3.542 154 H VAL 18 H VAL 18 11.669 1.664 3.218 155 HA VAL 18 HA VAL 18 9.651 3.613 4.172 156 HB VAL 18 HB VAL 18 9.652 1.486 2.006 157 1HG1 VAL 18 1HG1 VAL 18 7.522 2.107 1.447 158 2HG1 VAL 18 2HG1 VAL 18 7.778 3.785 1.925 159 3HG1 VAL 18 3HG1 VAL 18 7.437 2.562 3.149 160 1HG2 VAL 18 1HG2 VAL 18 10.257 3.173 0.496 161 2HG2 VAL 18 2HG2 VAL 18 11.216 3.592 1.915 162 3HG2 VAL 18 3HG2 VAL 18 9.721 4.462 1.573 163 H LEU 19 H LEU 19 10.112 0.079 3.952 164 HA LEU 19 HA LEU 19 7.637 -0.679 5.156 165 1HB LEU 19 1HB LEU 19 10.367 -1.915 4.825 166 2HB LEU 19 2HB LEU 19 9.074 -2.783 5.654 167 HG LEU 19 HG LEU 19 8.729 -1.580 2.901 168 1HD1 LEU 19 1HD1 LEU 19 9.933 -4.170 3.784 169 2HD1 LEU 19 2HD1 LEU 19 10.316 -3.176 2.378 170 3HD1 LEU 19 3HD1 LEU 19 8.877 -4.195 2.373 171 1HD2 LEU 19 1HD2 LEU 19 6.672 -2.619 2.899 172 2HD2 LEU 19 2HD2 LEU 19 6.836 -2.380 4.639 173 3HD2 LEU 19 3HD2 LEU 19 7.224 -3.945 3.923 174 H ASP 20 H ASP 20 10.739 0.264 6.530 175 HA ASP 20 HA ASP 20 10.252 -0.639 9.219 176 1HB ASP 20 1HB ASP 20 12.466 -0.076 8.326 177 2HB ASP 20 2HB ASP 20 11.959 1.595 8.072 178 H LEU 21 H LEU 21 9.392 2.277 7.441 179 HA LEU 21 HA LEU 21 8.505 3.762 9.801 180 1HB LEU 21 1HB LEU 21 9.420 4.763 7.717 181 2HB LEU 21 2HB LEU 21 8.033 4.140 6.825 182 HG LEU 21 HG LEU 21 6.517 5.475 8.240 183 1HD1 LEU 21 1HD1 LEU 21 9.116 6.199 9.581 184 2HD1 LEU 21 2HD1 LEU 21 7.609 5.665 10.323 185 3HD1 LEU 21 3HD1 LEU 21 7.732 7.288 9.645 186 1HD2 LEU 21 1HD2 LEU 21 7.146 7.669 7.360 187 2HD2 LEU 21 2HD2 LEU 21 7.480 6.425 6.155 188 3HD2 LEU 21 3HD2 LEU 21 8.798 7.114 7.100 189 H VAL 22 H VAL 22 6.942 1.908 7.183 190 HA VAL 22 HA VAL 22 4.232 2.463 7.721 191 HB VAL 22 HB VAL 22 5.505 -0.180 6.940 192 1HG1 VAL 22 1HG1 VAL 22 3.002 -0.049 7.509 193 2HG1 VAL 22 2HG1 VAL 22 3.422 -0.708 5.929 194 3HG1 VAL 22 3HG1 VAL 22 2.845 0.954 6.066 195 1HG2 VAL 22 1HG2 VAL 22 4.608 1.205 4.661 196 2HG2 VAL 22 2HG2 VAL 22 6.284 0.918 5.127 197 3HG2 VAL 22 3HG2 VAL 22 5.472 2.406 5.619 198 H ARG 23 H ARG 23 6.250 -0.169 9.069 199 HA ARG 23 HA ARG 23 4.314 -1.310 10.799 200 1HB ARG 23 1HB ARG 23 7.320 -1.016 11.124 201 2HB ARG 23 2HB ARG 23 6.316 -2.216 11.937 202 1HG ARG 23 1HG ARG 23 5.846 -2.240 9.072 203 2HG ARG 23 2HG ARG 23 7.554 -2.494 9.435 204 1HD ARG 23 1HD ARG 23 5.700 -3.995 11.187 205 2HD ARG 23 2HD ARG 23 5.697 -4.499 9.485 206 HE ARG 23 HE ARG 23 8.393 -4.165 10.121 207 1HH1 ARG 23 1HH1 ARG 23 6.102 -6.560 10.044 208 2HH1 ARG 23 2HH1 ARG 23 6.900 -7.630 11.149 209 1HH2 ARG 23 1HH2 ARG 23 9.275 -5.298 12.110 210 2HH2 ARG 23 2HH2 ARG 23 8.692 -6.915 12.320 211 H LYS 24 H LYS 24 6.783 1.186 11.517 212 HA LYS 24 HA LYS 24 6.039 1.617 14.241 213 1HB LYS 24 1HB LYS 24 8.026 2.393 12.580 214 2HB LYS 24 2HB LYS 24 7.062 3.870 12.586 215 1HG LYS 24 1HG LYS 24 7.108 3.097 15.261 216 2HG LYS 24 2HG LYS 24 8.742 2.752 14.694 217 1HD LYS 24 1HD LYS 24 8.384 5.170 13.549 218 2HD LYS 24 2HD LYS 24 7.344 5.362 14.960 219 1HE LYS 24 1HE LYS 24 10.040 4.158 15.423 220 2HE LYS 24 2HE LYS 24 9.965 5.901 15.097 221 1HZ LYS 24 1HZ LYS 24 8.255 6.118 16.781 222 2HZ LYS 24 2HZ LYS 24 9.654 5.432 17.460 223 3HZ LYS 24 3HZ LYS 24 8.312 4.453 17.099 224 H VAL 25 H VAL 25 4.500 2.590 11.284 225 HA VAL 25 HA VAL 25 3.041 4.828 12.537 226 HB VAL 25 HB VAL 25 2.950 3.497 9.810 227 1HG1 VAL 25 1HG1 VAL 25 1.871 6.233 10.459 228 2HG1 VAL 25 2HG1 VAL 25 0.858 4.804 10.661 229 3HG1 VAL 25 3HG1 VAL 25 1.512 5.203 9.073 230 1HG2 VAL 25 1HG2 VAL 25 3.968 6.260 10.243 231 2HG2 VAL 25 2HG2 VAL 25 4.541 5.011 9.138 232 3HG2 VAL 25 3HG2 VAL 25 4.981 4.946 10.844 233 H ALA 26 H ALA 26 2.506 1.454 11.679 234 HA ALA 26 HA ALA 26 -0.397 1.579 12.075 235 1HB ALA 26 1HB ALA 26 -0.207 -0.827 11.677 236 2HB ALA 26 2HB ALA 26 1.535 -0.758 11.938 237 3HB ALA 26 3HB ALA 26 0.822 0.027 10.528 238 H GLU 27 H GLU 27 2.455 0.902 14.000 239 HA GLU 27 HA GLU 27 0.894 -0.257 16.218 240 1HB GLU 27 1HB GLU 27 3.376 -0.680 15.247 241 2HB GLU 27 2HB GLU 27 3.756 0.527 16.477 242 1HG GLU 27 1HG GLU 27 2.402 -0.882 18.106 243 2HG GLU 27 2HG GLU 27 2.378 -2.139 16.870 244 H GLU 28 H GLU 28 1.976 2.877 15.195 245 HA GLU 28 HA GLU 28 1.959 3.965 17.954 246 1HB GLU 28 1HB GLU 28 2.722 5.997 16.856 247 2HB GLU 28 2HB GLU 28 3.608 4.632 16.178 248 1HG GLU 28 1HG GLU 28 2.149 4.590 14.230 249 2HG GLU 28 2HG GLU 28 1.130 5.849 14.926 250 H ASN 29 H ASN 29 -0.119 3.828 15.122 251 HA ASN 29 HA ASN 29 -1.996 5.828 16.234 252 1HB ASN 29 1HB ASN 29 -1.472 4.402 13.691 253 2HB ASN 29 2HB ASN 29 -3.170 4.753 14.014 254 1HD2 ASN 29 1HD2 ASN 29 -0.258 6.111 12.836 255 2HD2 ASN 29 2HD2 ASN 29 -0.737 7.739 12.853 256 H GLY 30 H GLY 30 -1.547 2.384 16.222 257 1HA GLY 30 1HA GLY 30 -2.786 0.896 17.657 258 2HA GLY 30 2HA GLY 30 -4.097 2.077 17.703 259 H ARG 31 H ARG 31 -2.649 1.307 14.638 260 HA ARG 31 HA ARG 31 -5.097 -0.281 13.924 261 1HB ARG 31 1HB ARG 31 -3.420 1.626 12.258 262 2HB ARG 31 2HB ARG 31 -4.871 0.790 11.707 263 1HG ARG 31 1HG ARG 31 -5.815 1.968 13.968 264 2HG ARG 31 2HG ARG 31 -4.606 3.153 13.470 265 1HD ARG 31 1HD ARG 31 -5.634 3.086 11.147 266 2HD ARG 31 2HD ARG 31 -6.958 2.133 11.845 267 HE ARG 31 HE ARG 31 -6.214 4.795 12.991 268 1HH1 ARG 31 1HH1 ARG 31 -8.163 4.763 10.670 269 2HH1 ARG 31 2HH1 ARG 31 -9.684 4.731 11.498 270 1HH2 ARG 31 1HH2 ARG 31 -8.310 3.784 14.536 271 2HH2 ARG 31 2HH2 ARG 31 -9.767 4.176 13.687 272 H SER 32 H SER 32 -4.287 -1.097 11.412 273 HA SER 32 HA SER 32 -1.986 -2.902 12.030 274 1HB SER 32 1HB SER 32 -4.305 -3.054 10.075 275 2HB SER 32 2HB SER 32 -3.040 -4.272 10.203 276 HG SER 32 HG SER 32 -3.748 -4.806 12.195 277 H VAL 33 H VAL 33 -0.639 -3.409 9.986 278 HA VAL 33 HA VAL 33 0.268 -0.925 8.810 279 HB VAL 33 HB VAL 33 0.876 -3.858 8.340 280 1HG1 VAL 33 1HG1 VAL 33 3.076 -2.259 7.649 281 2HG1 VAL 33 2HG1 VAL 33 1.684 -1.481 6.898 282 3HG1 VAL 33 3HG1 VAL 33 2.046 -3.170 6.547 283 1HG2 VAL 33 1HG2 VAL 33 2.403 -1.715 9.850 284 2HG2 VAL 33 2HG2 VAL 33 2.759 -3.443 9.808 285 3HG2 VAL 33 3HG2 VAL 33 1.304 -2.862 10.618 286 H ASN 34 H ASN 34 -2.004 -3.409 7.871 287 HA ASN 34 HA ASN 34 -2.014 -2.786 5.012 288 1HB ASN 34 1HB ASN 34 -3.757 -4.298 6.972 289 2HB ASN 34 2HB ASN 34 -4.258 -4.085 5.294 290 1HD2 ASN 34 1HD2 ASN 34 -3.605 -5.767 3.961 291 2HD2 ASN 34 2HD2 ASN 34 -2.227 -6.728 4.202 292 H SER 35 H SER 35 -3.635 -1.624 7.905 293 HA SER 35 HA SER 35 -5.616 -0.045 6.401 294 1HB SER 35 1HB SER 35 -4.855 -0.459 9.297 295 2HB SER 35 2HB SER 35 -6.035 0.763 8.830 296 HG SER 35 HG SER 35 -7.293 -0.954 9.050 297 H GLU 36 H GLU 36 -2.471 0.394 7.922 298 HA GLU 36 HA GLU 36 -2.510 3.276 8.024 299 1HB GLU 36 1HB GLU 36 -0.974 1.200 8.955 300 2HB GLU 36 2HB GLU 36 0.045 1.834 7.660 301 1HG GLU 36 1HG GLU 36 0.598 3.004 9.695 302 2HG GLU 36 2HG GLU 36 -0.260 4.120 8.633 303 H ILE 37 H ILE 37 -1.433 0.857 5.661 304 HA ILE 37 HA ILE 37 -0.384 2.851 3.787 305 HB ILE 37 HB ILE 37 -0.956 -0.128 3.718 306 1HG1 ILE 37 1HG1 ILE 37 0.917 0.811 5.163 307 2HG1 ILE 37 2HG1 ILE 37 1.418 -0.377 3.961 308 1HG2 ILE 37 1HG2 ILE 37 0.806 0.354 1.654 309 2HG2 ILE 37 2HG2 ILE 37 -0.305 1.720 1.524 310 3HG2 ILE 37 3HG2 ILE 37 -0.925 0.069 1.459 311 1HD1 ILE 37 1HD1 ILE 37 2.353 1.273 2.548 312 2HD1 ILE 37 2HD1 ILE 37 2.827 1.786 4.168 313 3HD1 ILE 37 3HD1 ILE 37 1.482 2.580 3.351 314 H TYR 38 H TYR 38 -3.427 1.228 4.398 315 HA TYR 38 HA TYR 38 -4.627 1.686 1.805 316 1HB TYR 38 1HB TYR 38 -5.379 -0.055 3.321 317 2HB TYR 38 2HB TYR 38 -5.682 1.125 4.594 318 HD1 TYR 38 HD1 TYR 38 -7.972 1.322 4.968 319 HD2 TYR 38 HD2 TYR 38 -6.498 1.054 0.928 320 HE1 TYR 38 HE1 TYR 38 -10.280 1.670 4.106 321 HE2 TYR 38 HE2 TYR 38 -8.812 1.402 0.056 322 HH TYR 38 HH TYR 38 -11.140 2.698 1.509 323 H GLN 39 H GLN 39 -4.595 3.462 4.895 324 HA GLN 39 HA GLN 39 -6.498 5.484 4.062 325 1HB GLN 39 1HB GLN 39 -4.989 4.689 6.366 326 2HB GLN 39 2HB GLN 39 -4.705 6.408 6.092 327 1HG GLN 39 1HG GLN 39 -6.709 6.826 7.026 328 2HG GLN 39 2HG GLN 39 -7.464 6.011 5.657 329 1HE2 GLN 39 1HE2 GLN 39 -8.580 4.094 6.117 330 2HE2 GLN 39 2HE2 GLN 39 -8.458 3.235 7.576 331 H ARG 40 H ARG 40 -2.930 5.324 4.188 332 HA ARG 40 HA ARG 40 -2.450 8.008 3.282 333 1HB ARG 40 1HB ARG 40 -0.881 5.414 3.120 334 2HB ARG 40 2HB ARG 40 -0.198 6.992 2.728 335 1HG ARG 40 1HG ARG 40 -0.955 7.749 5.045 336 2HG ARG 40 2HG ARG 40 -1.262 6.049 5.398 337 1HD ARG 40 1HD ARG 40 1.170 5.629 4.625 338 2HD ARG 40 2HD ARG 40 1.383 7.383 4.790 339 HE ARG 40 HE ARG 40 1.180 5.537 6.988 340 1HH1 ARG 40 1HH1 ARG 40 2.348 8.274 7.224 341 2HH1 ARG 40 2HH1 ARG 40 1.180 9.091 8.208 342 1HH2 ARG 40 1HH2 ARG 40 -1.304 6.732 7.682 343 2HH2 ARG 40 2HH2 ARG 40 -0.887 8.218 8.469 344 H VAL 41 H VAL 41 -3.275 5.025 1.654 345 HA VAL 41 HA VAL 41 -2.607 5.990 -1.042 346 HB VAL 41 HB VAL 41 -3.990 3.586 0.183 347 1HG1 VAL 41 1HG1 VAL 41 -4.989 4.050 -2.050 348 2HG1 VAL 41 2HG1 VAL 41 -4.033 2.567 -2.041 349 3HG1 VAL 41 3HG1 VAL 41 -3.371 4.039 -2.755 350 1HG2 VAL 41 1HG2 VAL 41 -1.540 3.445 -1.509 351 2HG2 VAL 41 2HG2 VAL 41 -1.969 2.519 -0.071 352 3HG2 VAL 41 3HG2 VAL 41 -1.373 4.170 0.091 353 H MET 42 H MET 42 -5.361 5.886 1.109 354 HA MET 42 HA MET 42 -7.423 6.364 -0.867 355 1HB MET 42 1HB MET 42 -7.115 5.866 1.925 356 2HB MET 42 2HB MET 42 -8.082 7.328 1.756 357 1HG MET 42 1HG MET 42 -8.670 4.875 0.108 358 2HG MET 42 2HG MET 42 -9.324 5.057 1.735 359 1HE MET 42 1HE MET 42 -11.080 5.938 2.354 360 2HE MET 42 2HE MET 42 -12.240 6.990 1.539 361 3HE MET 42 3HE MET 42 -10.820 7.686 2.317 362 H GLU 43 H GLU 43 -5.533 8.483 1.299 363 HA GLU 43 HA GLU 43 -6.933 10.914 0.582 364 1HB GLU 43 1HB GLU 43 -4.355 10.157 1.949 365 2HB GLU 43 2HB GLU 43 -4.723 11.851 1.623 366 1HG GLU 43 1HG GLU 43 -6.965 10.349 2.800 367 2HG GLU 43 2HG GLU 43 -5.555 10.477 3.854 368 H SER 44 H SER 44 -4.378 9.075 -0.912 369 HA SER 44 HA SER 44 -3.077 11.166 -2.381 370 1HB SER 44 1HB SER 44 -2.463 8.683 -1.944 371 2HB SER 44 2HB SER 44 -3.493 8.329 -3.329 372 HG SER 44 HG SER 44 -1.057 8.881 -3.529 373 H PHE 45 H PHE 45 -5.627 8.866 -3.425 374 HA PHE 45 HA PHE 45 -6.061 10.016 -5.999 375 1HB PHE 45 1HB PHE 45 -7.804 8.445 -4.079 376 2HB PHE 45 2HB PHE 45 -8.241 8.756 -5.759 377 HD1 PHE 45 HD1 PHE 45 -7.086 6.233 -3.809 378 HD2 PHE 45 HD2 PHE 45 -5.859 8.449 -7.305 379 HE1 PHE 45 HE1 PHE 45 -5.694 4.301 -4.547 380 HE2 PHE 45 HE2 PHE 45 -4.469 6.518 -8.041 381 HZ PHE 45 HZ PHE 45 -4.391 4.444 -6.665 382 H LYS 46 H LYS 46 -7.248 10.927 -2.810 383 HA LYS 46 HA LYS 46 -9.486 12.522 -3.654 384 1HB LYS 46 1HB LYS 46 -8.303 11.654 -1.295 385 2HB LYS 46 2HB LYS 46 -8.065 13.401 -1.246 386 1HG LYS 46 1HG LYS 46 -10.420 13.809 -1.520 387 2HG LYS 46 2HG LYS 46 -10.730 12.107 -1.858 388 1HD LYS 46 1HD LYS 46 -10.310 11.464 0.377 389 2HD LYS 46 2HD LYS 46 -9.491 12.978 0.749 390 1HE LYS 46 1HE LYS 46 -11.520 13.552 1.664 391 2HE LYS 46 2HE LYS 46 -11.960 13.900 -0.021 392 1HZ LYS 46 1HZ LYS 46 -12.250 11.264 1.325 393 2HZ LYS 46 2HZ LYS 46 -12.670 11.614 -0.283 394 3HZ LYS 46 3HZ LYS 46 -13.520 12.341 1.000 395 H LYS 47 H LYS 47 -6.028 13.197 -3.371 396 HA LYS 47 HA LYS 47 -6.006 16.012 -3.363 397 1HB LYS 47 1HB LYS 47 -4.267 13.777 -4.137 398 2HB LYS 47 2HB LYS 47 -3.918 15.263 -5.022 399 1HG LYS 47 1HG LYS 47 -3.902 16.470 -2.794 400 2HG LYS 47 2HG LYS 47 -3.979 14.887 -2.017 401 1HD LYS 47 1HD LYS 47 -1.839 15.690 -4.007 402 2HD LYS 47 2HD LYS 47 -1.639 15.777 -2.256 403 1HE LYS 47 1HE LYS 47 -2.265 13.294 -2.190 404 2HE LYS 47 2HE LYS 47 -2.053 13.301 -3.953 405 1HZ LYS 47 1HZ LYS 47 -0.054 14.074 -1.897 406 2HZ LYS 47 2HZ LYS 47 0.141 14.382 -3.556 407 3HZ LYS 47 3HZ LYS 47 0.049 12.783 -2.993 408 H GLU 48 H GLU 48 -6.717 13.793 -6.016 409 HA GLU 48 HA GLU 48 -6.899 16.104 -7.908 410 1HB GLU 48 1HB GLU 48 -6.896 13.100 -8.357 411 2HB GLU 48 2HB GLU 48 -6.810 14.333 -9.617 412 1HG GLU 48 1HG GLU 48 -4.744 15.178 -8.176 413 2HG GLU 48 2HG GLU 48 -4.726 13.498 -7.638 414 H GLY 49 H GLY 49 -8.847 13.944 -6.051 415 1HA GLY 49 1HA GLY 49 -11.210 14.102 -5.817 416 2HA GLY 49 2HA GLY 49 -11.270 15.068 -7.293 417 H ARG 50 H ARG 50 -9.420 12.143 -7.383 418 HA ARG 50 HA ARG 50 -10.810 11.030 -9.585 419 1HB ARG 50 1HB ARG 50 -9.174 9.700 -7.404 420 2HB ARG 50 2HB ARG 50 -9.507 9.010 -8.992 421 1HG ARG 50 1HG ARG 50 -8.527 11.549 -9.574 422 2HG ARG 50 2HG ARG 50 -7.525 11.015 -8.225 423 1HD ARG 50 1HD ARG 50 -7.219 8.811 -9.498 424 2HD ARG 50 2HD ARG 50 -7.918 9.649 -10.899 425 HE ARG 50 HE ARG 50 -5.715 11.043 -9.503 426 1HH1 ARG 50 1HH1 ARG 50 -7.124 10.547 -12.448 427 2HH1 ARG 50 2HH1 ARG 50 -5.658 10.276 -13.330 428 1HH2 ARG 50 1HH2 ARG 50 -3.673 10.076 -10.494 429 2HH2 ARG 50 2HH2 ARG 50 -3.705 10.009 -12.225 430 H ILE 51 H ILE 51 -11.120 10.368 -6.091 431 HA ILE 51 HA ILE 51 -13.390 8.527 -6.579 432 HB ILE 51 HB ILE 51 -13.180 8.186 -4.131 433 1HG1 ILE 51 1HG1 ILE 51 -10.850 10.104 -4.182 434 2HG1 ILE 51 2HG1 ILE 51 -12.480 10.672 -3.812 435 1HG2 ILE 51 1HG2 ILE 51 -11.680 6.710 -5.004 436 2HG2 ILE 51 2HG2 ILE 51 -10.470 7.819 -4.350 437 3HG2 ILE 51 3HG2 ILE 51 -10.940 7.927 -6.046 438 1HD1 ILE 51 1HD1 ILE 51 -10.650 8.984 -2.202 439 2HD1 ILE 51 2HD1 ILE 51 -12.340 8.486 -2.200 440 3HD1 ILE 51 3HD1 ILE 51 -11.900 10.111 -1.676 441 H GLY 52 H GLY 52 -15.380 8.907 -5.143 442 1HA GLY 52 1HA GLY 52 -15.960 11.835 -4.920 443 2HA GLY 52 2HA GLY 52 -17.140 10.705 -5.582 444 H ALA 53 H ALA 53 -15.140 11.093 -2.636 445 HA ALA 53 HA ALA 53 -16.880 9.482 -0.987 446 1HB ALA 53 1HB ALA 53 -15.250 11.583 0.290 447 2HB ALA 53 2HB ALA 53 -14.360 10.568 -0.841 448 3HB ALA 53 3HB ALA 53 -15.210 9.836 0.520 449 1H MET 1 1H MET 1 1.766 -15.565 -19.162 450 2H MET 1 2H MET 1 1.710 -14.181 -20.147 451 3H MET 1 3H MET 1 0.649 -14.332 -18.830 452 HA MET 1 HA MET 1 2.344 -13.999 -17.257 453 1HB MET 1 1HB MET 1 3.845 -15.619 -18.341 454 2HB MET 1 2HB MET 1 4.166 -14.469 -19.639 455 1HG MET 1 1HG MET 1 6.000 -14.118 -18.235 456 2HG MET 1 2HG MET 1 4.880 -12.877 -17.674 457 1HE MET 1 1HE MET 1 6.588 -12.833 -16.045 458 2HE MET 1 2HE MET 1 7.339 -14.313 -15.454 459 3HE MET 1 3HE MET 1 6.221 -13.427 -14.420 460 H LYS 2 H LYS 2 1.412 -11.889 -17.208 461 HA LYS 2 HA LYS 2 3.052 -9.744 -18.259 462 1HB LYS 2 1HB LYS 2 1.573 -10.797 -20.186 463 2HB LYS 2 2HB LYS 2 0.297 -9.824 -19.452 464 1HG LYS 2 1HG LYS 2 1.271 -7.836 -20.064 465 2HG LYS 2 2HG LYS 2 2.908 -8.471 -19.906 466 1HD LYS 2 1HD LYS 2 2.817 -8.385 -22.199 467 2HD LYS 2 2HD LYS 2 2.079 -9.972 -21.980 468 1HE LYS 2 1HE LYS 2 0.027 -7.987 -21.680 469 2HE LYS 2 2HE LYS 2 0.904 -7.673 -23.191 470 1HZ LYS 2 1HZ LYS 2 -0.656 -9.316 -23.743 471 2HZ LYS 2 2HZ LYS 2 -0.388 -10.189 -22.311 472 3HZ LYS 2 3HZ LYS 2 0.794 -10.170 -23.532 473 H GLY 3 H GLY 3 2.749 -8.039 -16.867 474 1HA GLY 3 1HA GLY 3 1.563 -6.510 -15.490 475 2HA GLY 3 2HA GLY 3 0.088 -7.433 -15.788 476 H MET 4 H MET 4 3.168 -8.722 -14.596 477 HA MET 4 HA MET 4 3.648 -9.911 -12.612 478 1HB MET 4 1HB MET 4 2.548 -7.393 -12.049 479 2HB MET 4 2HB MET 4 1.687 -8.502 -10.978 480 1HG MET 4 1HG MET 4 3.517 -8.206 -9.643 481 2HG MET 4 2HG MET 4 4.219 -9.437 -10.691 482 1HE MET 4 1HE MET 4 6.894 -7.901 -12.604 483 2HE MET 4 2HE MET 4 5.581 -9.074 -12.681 484 3HE MET 4 3HE MET 4 6.643 -9.043 -11.277 485 H SER 5 H SER 5 1.883 -10.514 -10.442 486 HA SER 5 HA SER 5 0.269 -12.640 -11.707 487 1HB SER 5 1HB SER 5 1.313 -11.922 -8.994 488 2HB SER 5 2HB SER 5 -0.072 -13.006 -9.085 489 HG SER 5 HG SER 5 2.530 -13.324 -10.135 490 H LYS 6 H LYS 6 -1.877 -12.980 -10.147 491 HA LYS 6 HA LYS 6 -3.702 -10.893 -10.935 492 1HB LYS 6 1HB LYS 6 -5.295 -12.284 -9.610 493 2HB LYS 6 2HB LYS 6 -4.307 -13.260 -10.698 494 1HG LYS 6 1HG LYS 6 -2.952 -14.066 -8.947 495 2HG LYS 6 2HG LYS 6 -3.441 -12.771 -7.852 496 1HD LYS 6 1HD LYS 6 -4.712 -14.549 -7.044 497 2HD LYS 6 2HD LYS 6 -5.842 -13.807 -8.175 498 1HE LYS 6 1HE LYS 6 -5.956 -15.783 -9.277 499 2HE LYS 6 2HE LYS 6 -4.237 -15.614 -9.683 500 1HZ LYS 6 1HZ LYS 6 -4.678 -17.626 -8.367 501 2HZ LYS 6 2HZ LYS 6 -5.281 -16.661 -7.104 502 3HZ LYS 6 3HZ LYS 6 -3.646 -16.550 -7.557 503 H MET 7 H MET 7 -5.341 -10.550 -8.691 504 HA MET 7 HA MET 7 -4.218 -8.311 -7.375 505 1HB MET 7 1HB MET 7 -6.487 -10.221 -6.887 506 2HB MET 7 2HB MET 7 -6.125 -8.989 -5.678 507 1HG MET 7 1HG MET 7 -6.297 -7.240 -7.422 508 2HG MET 7 2HG MET 7 -6.698 -8.477 -8.612 509 1HE MET 7 1HE MET 7 -8.355 -5.864 -6.270 510 2HE MET 7 2HE MET 7 -9.723 -6.077 -7.359 511 3HE MET 7 3HE MET 7 -8.094 -5.953 -8.018 512 HA PRO 8 HA PRO 8 -1.584 -10.317 -4.420 513 1HB PRO 8 1HB PRO 8 -1.112 -8.178 -2.786 514 2HB PRO 8 2HB PRO 8 -0.363 -8.351 -4.386 515 1HG PRO 8 1HG PRO 8 -2.638 -6.651 -3.535 516 2HG PRO 8 2HG PRO 8 -1.384 -6.342 -4.742 517 1HD PRO 8 1HD PRO 8 -3.971 -7.126 -5.312 518 2HD PRO 8 2HD PRO 8 -2.585 -7.315 -6.406 519 H GLN 9 H GLN 9 -1.644 -10.985 -2.150 520 HA GLN 9 HA GLN 9 -4.359 -11.149 -1.064 521 1HB GLN 9 1HB GLN 9 -1.850 -12.520 -0.914 522 2HB GLN 9 2HB GLN 9 -2.346 -12.106 0.726 523 1HG GLN 9 1HG GLN 9 -3.247 -14.309 0.015 524 2HG GLN 9 2HG GLN 9 -4.530 -13.152 0.364 525 1HE2 GLN 9 1HE2 GLN 9 -2.529 -13.193 -2.604 526 2HE2 GLN 9 2HE2 GLN 9 -3.815 -13.532 -3.658 527 H PHE 10 H PHE 10 -2.069 -8.731 -0.913 528 HA PHE 10 HA PHE 10 -2.389 -8.076 1.947 529 1HB PHE 10 1HB PHE 10 -0.239 -7.736 0.885 530 2HB PHE 10 2HB PHE 10 -0.976 -6.819 -0.427 531 HD1 PHE 10 HD1 PHE 10 -1.449 -4.480 -0.213 532 HD2 PHE 10 HD2 PHE 10 -0.240 -6.782 3.234 533 HE1 PHE 10 HE1 PHE 10 -1.171 -2.377 1.095 534 HE2 PHE 10 HE2 PHE 10 0.039 -4.678 4.540 535 HZ PHE 10 HZ PHE 10 -0.427 -2.475 3.471 536 H LEU 11 H LEU 11 -3.790 -7.233 -1.142 537 HA LEU 11 HA LEU 11 -5.164 -4.856 0.017 538 1HB LEU 11 1HB LEU 11 -4.977 -6.011 -2.785 539 2HB LEU 11 2HB LEU 11 -5.770 -4.491 -2.373 540 HG LEU 11 HG LEU 11 -2.882 -5.038 -1.672 541 1HD1 LEU 11 1HD1 LEU 11 -3.577 -3.287 -3.977 542 2HD1 LEU 11 2HD1 LEU 11 -3.692 -5.027 -4.240 543 3HD1 LEU 11 3HD1 LEU 11 -2.163 -4.311 -3.728 544 1HD2 LEU 11 1HD2 LEU 11 -4.543 -2.516 -1.970 545 2HD2 LEU 11 2HD2 LEU 11 -2.823 -2.550 -1.589 546 3HD2 LEU 11 3HD2 LEU 11 -3.991 -3.219 -0.451 547 H ASN 12 H ASN 12 -5.838 -7.733 0.707 548 HA ASN 12 HA ASN 12 -8.358 -8.357 -0.608 549 1HB ASN 12 1HB ASN 12 -6.473 -9.626 0.994 550 2HB ASN 12 2HB ASN 12 -7.880 -9.497 2.049 551 1HD2 ASN 12 1HD2 ASN 12 -6.555 -11.191 -0.674 552 2HD2 ASN 12 2HD2 ASN 12 -7.927 -12.125 -1.028 553 H ARG 13 H ARG 13 -7.402 -6.364 2.090 554 HA ARG 13 HA ARG 13 -10.130 -6.267 3.222 555 1HB ARG 13 1HB ARG 13 -7.874 -6.272 4.473 556 2HB ARG 13 2HB ARG 13 -7.732 -4.590 3.963 557 1HG ARG 13 1HG ARG 13 -9.263 -3.890 5.475 558 2HG ARG 13 2HG ARG 13 -10.360 -5.220 5.099 559 1HD ARG 13 1HD ARG 13 -7.849 -5.844 6.620 560 2HD ARG 13 2HD ARG 13 -9.210 -5.098 7.484 561 HE ARG 13 HE ARG 13 -9.642 -7.525 5.792 562 1HH1 ARG 13 1HH1 ARG 13 -8.664 -7.965 8.634 563 2HH1 ARG 13 2HH1 ARG 13 -10.160 -8.182 9.478 564 1HH2 ARG 13 1HH2 ARG 13 -12.090 -6.855 6.926 565 2HH2 ARG 13 2HH2 ARG 13 -12.100 -7.552 8.512 566 H TRP 14 H TRP 14 -8.381 -4.659 0.777 567 HA TRP 14 HA TRP 14 -9.491 -1.994 1.087 568 1HB TRP 14 1HB TRP 14 -8.090 -3.563 -1.078 569 2HB TRP 14 2HB TRP 14 -8.600 -1.898 -1.311 570 HD1 TRP 14 HD1 TRP 14 -7.233 -3.185 2.044 571 HE1 TRP 14 HE1 TRP 14 -5.021 -1.956 2.542 572 HE3 TRP 14 HE3 TRP 14 -6.674 -0.668 -2.333 573 HZ2 TRP 14 HZ2 TRP 14 -3.222 -0.118 1.227 574 HZ3 TRP 14 HZ3 TRP 14 -4.700 0.820 -2.718 575 HH2 TRP 14 HH2 TRP 14 -2.980 1.095 -0.937 576 HA PRO 15 HA PRO 15 -13.440 -2.950 -0.675 577 1HB PRO 15 1HB PRO 15 -14.220 -0.424 -1.379 578 2HB PRO 15 2HB PRO 15 -14.230 -1.010 0.294 579 1HG PRO 15 1HG PRO 15 -12.250 0.726 -1.092 580 2HG PRO 15 2HG PRO 15 -12.850 0.806 0.571 581 1HD PRO 15 1HD PRO 15 -10.430 -0.243 -0.106 582 2HD PRO 15 2HD PRO 15 -11.350 -0.737 1.331 583 H ARG 16 H ARG 16 -14.670 -2.351 -2.818 584 HA ARG 16 HA ARG 16 -12.860 -2.864 -5.035 585 1HB ARG 16 1HB ARG 16 -14.780 -4.052 -5.362 586 2HB ARG 16 2HB ARG 16 -15.710 -3.011 -4.297 587 1HG ARG 16 1HG ARG 16 -16.330 -1.583 -5.990 588 2HG ARG 16 2HG ARG 16 -14.930 -1.961 -6.986 589 1HD ARG 16 1HD ARG 16 -16.490 -3.190 -8.162 590 2HD ARG 16 2HD ARG 16 -16.110 -4.403 -6.923 591 HE ARG 16 HE ARG 16 -18.320 -2.422 -6.531 592 1HH1 ARG 16 1HH1 ARG 16 -17.230 -4.656 -4.601 593 2HH1 ARG 16 2HH1 ARG 16 -18.520 -5.799 -4.728 594 1HH2 ARG 16 1HH2 ARG 16 -19.920 -4.304 -7.528 595 2HH2 ARG 16 2HH2 ARG 16 -20.050 -5.598 -6.385 596 H GLU 17 H GLU 17 -14.490 -0.107 -3.634 597 HA GLU 17 HA GLU 17 -14.480 1.587 -5.971 598 1HB GLU 17 1HB GLU 17 -14.520 2.113 -2.981 599 2HB GLU 17 2HB GLU 17 -14.800 3.356 -4.199 600 1HG GLU 17 1HG GLU 17 -16.710 2.055 -5.077 601 2HG GLU 17 2HG GLU 17 -16.440 0.825 -3.844 602 H VAL 18 H VAL 18 -12.100 0.743 -3.542 603 HA VAL 18 HA VAL 18 -10.260 2.900 -4.418 604 HB VAL 18 HB VAL 18 -10.070 0.697 -2.335 605 1HG1 VAL 18 1HG1 VAL 18 -8.004 1.469 -1.758 606 2HG1 VAL 18 2HG1 VAL 18 -8.404 3.139 -2.159 607 3HG1 VAL 18 3HG1 VAL 18 -7.966 2.005 -3.437 608 1HG2 VAL 18 1HG2 VAL 18 -10.810 2.268 -0.763 609 2HG2 VAL 18 2HG2 VAL 18 -11.810 2.658 -2.163 610 3HG2 VAL 18 3HG2 VAL 18 -10.390 3.638 -1.789 611 H LEU 19 H LEU 19 -10.410 -0.670 -4.336 612 HA LEU 19 HA LEU 19 -7.888 -1.157 -5.577 613 1HB LEU 19 1HB LEU 19 -10.490 -2.641 -5.301 614 2HB LEU 19 2HB LEU 19 -9.137 -3.357 -6.163 615 HG LEU 19 HG LEU 19 -8.891 -2.245 -3.361 616 1HD1 LEU 19 1HD1 LEU 19 -9.865 -4.892 -4.351 617 2HD1 LEU 19 2HD1 LEU 19 -10.330 -3.994 -2.907 618 3HD1 LEU 19 3HD1 LEU 19 -8.806 -4.880 -2.940 619 1HD2 LEU 19 1HD2 LEU 19 -6.751 -3.097 -3.402 620 2HD2 LEU 19 2HD2 LEU 19 -6.942 -2.803 -5.130 621 3HD2 LEU 19 3HD2 LEU 19 -7.188 -4.423 -4.479 622 H ASP 20 H ASP 20 -11.070 -0.438 -6.907 623 HA ASP 20 HA ASP 20 -10.520 -1.174 -9.634 624 1HB ASP 20 1HB ASP 20 -12.770 -0.835 -8.708 625 2HB ASP 20 2HB ASP 20 -12.400 0.861 -8.389 626 H LEU 21 H LEU 21 -9.908 1.731 -7.737 627 HA LEU 21 HA LEU 21 -9.166 3.385 -10.032 628 1HB LEU 21 1HB LEU 21 -10.150 4.214 -7.906 629 2HB LEU 21 2HB LEU 21 -8.713 3.676 -7.043 630 HG LEU 21 HG LEU 21 -7.325 5.194 -8.405 631 1HD1 LEU 21 1HD1 LEU 21 -9.988 5.747 -9.704 632 2HD1 LEU 21 2HD1 LEU 21 -8.443 5.381 -10.472 633 3HD1 LEU 21 3HD1 LEU 21 -8.704 6.957 -9.724 634 1HD2 LEU 21 1HD2 LEU 21 -8.134 7.289 -7.428 635 2HD2 LEU 21 2HD2 LEU 21 -8.347 5.972 -6.275 636 3HD2 LEU 21 3HD2 LEU 21 -9.729 6.583 -7.184 637 H VAL 22 H VAL 22 -7.434 1.566 -7.497 638 HA VAL 22 HA VAL 22 -4.786 2.379 -8.011 639 HB VAL 22 HB VAL 22 -5.822 -0.396 -7.339 640 1HG1 VAL 22 1HG1 VAL 22 -3.344 -0.032 -7.901 641 2HG1 VAL 22 2HG1 VAL 22 -3.698 -0.782 -6.345 642 3HG1 VAL 22 3HG1 VAL 22 -3.265 0.926 -6.422 643 1HG2 VAL 22 1HG2 VAL 22 -5.041 0.961 -5.002 644 2HG2 VAL 22 2HG2 VAL 22 -6.689 0.553 -5.484 645 3HG2 VAL 22 3HG2 VAL 22 -6.006 2.125 -5.907 646 H ARG 23 H ARG 23 -6.574 -0.360 -9.463 647 HA ARG 23 HA ARG 23 -4.555 -1.256 -11.240 648 1HB ARG 23 1HB ARG 23 -7.577 -1.208 -11.550 649 2HB ARG 23 2HB ARG 23 -6.476 -2.281 -12.415 650 1HG ARG 23 1HG ARG 23 -5.995 -2.388 -9.553 651 2HG ARG 23 2HG ARG 23 -7.674 -2.776 -9.929 652 1HD ARG 23 1HD ARG 23 -5.701 -4.030 -11.743 653 2HD ARG 23 2HD ARG 23 -5.645 -4.605 -10.064 654 HE ARG 23 HE ARG 23 -8.364 -4.486 -10.684 655 1HH1 ARG 23 1HH1 ARG 23 -5.869 -6.670 -10.706 656 2HH1 ARG 23 2HH1 ARG 23 -6.569 -7.757 -11.859 657 1HH2 ARG 23 1HH2 ARG 23 -9.151 -5.606 -12.715 658 2HH2 ARG 23 2HH2 ARG 23 -8.428 -7.155 -12.996 659 H LYS 24 H LYS 24 -7.237 1.037 -11.858 660 HA LYS 24 HA LYS 24 -6.542 1.650 -14.558 661 1HB LYS 24 1HB LYS 24 -8.576 2.186 -12.858 662 2HB LYS 24 2HB LYS 24 -7.742 3.738 -12.812 663 1HG LYS 24 1HG LYS 24 -7.744 3.073 -15.514 664 2HG LYS 24 2HG LYS 24 -9.336 2.561 -14.954 665 1HD LYS 24 1HD LYS 24 -9.188 4.949 -13.712 666 2HD LYS 24 2HD LYS 24 -8.173 5.292 -15.114 667 1HE LYS 24 1HE LYS 24 -10.750 3.881 -15.626 668 2HE LYS 24 2HE LYS 24 -10.830 5.609 -15.225 669 1HZ LYS 24 1HZ LYS 24 -9.154 6.043 -16.901 670 2HZ LYS 24 2HZ LYS 24 -10.490 5.266 -17.607 671 3HZ LYS 24 3HZ LYS 24 -9.068 4.393 -17.288 672 H VAL 25 H VAL 25 -5.088 2.636 -11.559 673 HA VAL 25 HA VAL 25 -3.829 5.038 -12.720 674 HB VAL 25 HB VAL 25 -3.614 3.611 -10.052 675 1HG1 VAL 25 1HG1 VAL 25 -2.773 6.453 -10.592 676 2HG1 VAL 25 2HG1 VAL 25 -1.644 5.125 -10.847 677 3HG1 VAL 25 3HG1 VAL 25 -2.326 5.405 -9.246 678 1HG2 VAL 25 1HG2 VAL 25 -4.863 6.291 -10.369 679 2HG2 VAL 25 2HG2 VAL 25 -5.324 4.953 -9.317 680 3HG2 VAL 25 3HG2 VAL 25 -5.763 4.924 -11.026 681 H ALA 26 H ALA 26 -3.001 1.691 -12.014 682 HA ALA 26 HA ALA 26 -0.120 2.090 -12.401 683 1HB ALA 26 1HB ALA 26 -0.095 -0.339 -12.104 684 2HB ALA 26 2HB ALA 26 -1.839 -0.410 -12.357 685 3HB ALA 26 3HB ALA 26 -1.187 0.376 -10.916 686 H GLU 27 H GLU 27 -2.909 1.251 -14.351 687 HA GLU 27 HA GLU 27 -1.261 0.322 -16.615 688 1HB GLU 27 1HB GLU 27 -3.693 -0.355 -15.664 689 2HB GLU 27 2HB GLU 27 -4.181 0.863 -16.842 690 1HG GLU 27 1HG GLU 27 -2.716 -0.350 -18.529 691 2HG GLU 27 2HG GLU 27 -2.574 -1.649 -17.346 692 H GLU 28 H GLU 28 -2.610 3.302 -15.461 693 HA GLU 28 HA GLU 28 -2.704 4.506 -18.171 694 1HB GLU 28 1HB GLU 28 -3.633 6.412 -16.981 695 2HB GLU 28 2HB GLU 28 -4.394 4.947 -16.366 696 1HG GLU 28 1HG GLU 28 -2.935 4.943 -14.423 697 2HG GLU 28 2HG GLU 28 -2.021 6.310 -15.062 698 H ASN 29 H ASN 29 -0.608 4.422 -15.354 699 HA ASN 29 HA ASN 29 1.081 6.630 -16.375 700 1HB ASN 29 1HB ASN 29 0.687 5.060 -13.896 701 2HB ASN 29 2HB ASN 29 2.350 5.567 -14.202 702 1HD2 ASN 29 1HD2 ASN 29 -0.660 6.620 -12.967 703 2HD2 ASN 29 2HD2 ASN 29 -0.324 8.284 -12.919 704 H GLY 30 H GLY 30 0.934 3.164 -16.511 705 1HA GLY 30 1HA GLY 30 2.298 1.854 -18.004 706 2HA GLY 30 2HA GLY 30 3.498 3.146 -18.001 707 H ARG 31 H ARG 31 2.137 2.121 -14.970 708 HA ARG 31 HA ARG 31 4.720 0.725 -14.331 709 1HB ARG 31 1HB ARG 31 2.893 2.406 -12.579 710 2HB ARG 31 2HB ARG 31 4.415 1.675 -12.070 711 1HG ARG 31 1HG ARG 31 5.242 3.026 -14.278 712 2HG ARG 31 2HG ARG 31 3.935 4.079 -13.731 713 1HD ARG 31 1HD ARG 31 4.975 4.002 -11.411 714 2HD ARG 31 2HD ARG 31 6.376 3.205 -12.154 715 HE ARG 31 HE ARG 31 5.389 5.835 -13.182 716 1HH1 ARG 31 1HH1 ARG 31 7.345 5.877 -10.865 717 2HH1 ARG 31 2HH1 ARG 31 8.858 6.016 -11.694 718 1HH2 ARG 31 1HH2 ARG 31 7.559 5.075 -14.769 719 2HH2 ARG 31 2HH2 ARG 31 8.980 5.563 -13.907 720 H SER 32 H SER 32 3.997 -0.264 -11.854 721 HA SER 32 HA SER 32 1.859 -2.236 -12.546 722 1HB SER 32 1HB SER 32 4.193 -2.270 -10.601 723 2HB SER 32 2HB SER 32 3.037 -3.587 -10.780 724 HG SER 32 HG SER 32 3.779 -3.973 -12.792 725 H VAL 33 H VAL 33 0.569 -2.943 -10.525 726 HA VAL 33 HA VAL 33 -0.543 -0.601 -9.247 727 HB VAL 33 HB VAL 33 -0.886 -3.591 -8.897 728 1HG1 VAL 33 1HG1 VAL 33 -3.216 -2.226 -8.135 729 2HG1 VAL 33 2HG1 VAL 33 -1.895 -1.358 -7.352 730 3HG1 VAL 33 3HG1 VAL 33 -2.102 -3.086 -7.074 731 1HG2 VAL 33 1HG2 VAL 33 -2.606 -1.531 -10.313 732 2HG2 VAL 33 2HG2 VAL 33 -2.807 -3.285 -10.343 733 3HG2 VAL 33 3HG2 VAL 33 -1.413 -2.542 -11.131 734 H ASN 34 H ASN 34 1.940 -2.910 -8.412 735 HA ASN 34 HA ASN 34 1.907 -2.408 -5.532 736 1HB ASN 34 1HB ASN 34 3.768 -3.681 -7.549 737 2HB ASN 34 2HB ASN 34 4.254 -3.491 -5.865 738 1HD2 ASN 34 1HD2 ASN 34 3.755 -5.277 -4.603 739 2HD2 ASN 34 2HD2 ASN 34 2.464 -6.343 -4.880 740 H SER 35 H SER 35 3.406 -0.988 -8.374 741 HA SER 35 HA SER 35 5.249 0.690 -6.804 742 1HB SER 35 1HB SER 35 4.521 0.334 -9.715 743 2HB SER 35 2HB SER 35 5.587 1.635 -9.196 744 HG SER 35 HG SER 35 6.992 0.045 -9.488 745 H GLU 36 H GLU 36 2.072 0.920 -8.305 746 HA GLU 36 HA GLU 36 1.857 3.797 -8.281 747 1HB GLU 36 1HB GLU 36 0.508 1.631 -9.298 748 2HB GLU 36 2HB GLU 36 -0.557 2.118 -7.978 749 1HG GLU 36 1HG GLU 36 -1.221 3.316 -9.964 750 2HG GLU 36 2HG GLU 36 -0.466 4.459 -8.856 751 H ILE 37 H ILE 37 1.006 1.191 -6.017 752 HA ILE 37 HA ILE 37 -0.206 3.006 -4.062 753 HB ILE 37 HB ILE 37 0.625 0.089 -4.116 754 1HG1 ILE 37 1HG1 ILE 37 -1.329 0.914 -5.520 755 2HG1 ILE 37 2HG1 ILE 37 -1.720 -0.357 -4.364 756 1HG2 ILE 37 1HG2 ILE 37 -1.165 0.336 -2.032 757 2HG2 ILE 37 2HG2 ILE 37 -0.171 1.782 -1.848 758 3HG2 ILE 37 3HG2 ILE 37 0.586 0.188 -1.851 759 1HD1 ILE 37 1HD1 ILE 37 -2.784 1.153 -2.883 760 2HD1 ILE 37 2HD1 ILE 37 -3.315 1.674 -4.482 761 3HD1 ILE 37 3HD1 ILE 37 -2.040 2.559 -3.648 762 H TYR 38 H TYR 38 2.965 1.684 -4.745 763 HA TYR 38 HA TYR 38 4.131 2.140 -2.136 764 1HB TYR 38 1HB TYR 38 5.025 0.532 -3.720 765 2HB TYR 38 2HB TYR 38 5.220 1.784 -4.945 766 HD1 TYR 38 HD1 TYR 38 7.481 2.199 -5.312 767 HD2 TYR 38 HD2 TYR 38 6.057 1.634 -1.284 768 HE1 TYR 38 HE1 TYR 38 9.762 2.712 -4.438 769 HE2 TYR 38 HE2 TYR 38 8.334 2.146 -0.402 770 HH TYR 38 HH TYR 38 10.542 3.703 -1.803 771 H GLN 39 H GLN 39 3.924 4.031 -5.148 772 HA GLN 39 HA GLN 39 5.651 6.176 -4.232 773 1HB GLN 39 1HB GLN 39 4.209 5.351 -6.568 774 2HB GLN 39 2HB GLN 39 3.780 7.025 -6.223 775 1HG GLN 39 1HG GLN 39 5.739 7.654 -7.135 776 2HG GLN 39 2HG GLN 39 6.564 6.848 -5.800 777 1HE2 GLN 39 1HE2 GLN 39 7.842 5.060 -6.347 778 2HE2 GLN 39 2HE2 GLN 39 7.787 4.255 -7.840 779 H ARG 40 H ARG 40 2.110 5.710 -4.362 780 HA ARG 40 HA ARG 40 1.403 8.304 -3.348 781 1HB ARG 40 1HB ARG 40 0.061 5.580 -3.288 782 2HB ARG 40 2HB ARG 40 -0.753 7.079 -2.834 783 1HG ARG 40 1HG ARG 40 -0.081 7.989 -5.118 784 2HG ARG 40 2HG ARG 40 0.382 6.341 -5.539 785 1HD ARG 40 1HD ARG 40 -1.998 5.663 -4.786 786 2HD ARG 40 2HD ARG 40 -2.375 7.394 -4.875 787 HE ARG 40 HE ARG 40 -2.016 5.676 -7.152 788 1HH1 ARG 40 1HH1 ARG 40 -3.417 8.311 -7.269 789 2HH1 ARG 40 2HH1 ARG 40 -2.326 9.265 -8.218 790 1HH2 ARG 40 1HH2 ARG 40 0.356 7.109 -7.790 791 2HH2 ARG 40 2HH2 ARG 40 -0.190 8.586 -8.513 792 H VAL 41 H VAL 41 2.488 5.340 -1.845 793 HA VAL 41 HA VAL 41 1.749 6.132 0.887 794 HB VAL 41 HB VAL 41 3.330 3.908 -0.436 795 1HG1 VAL 41 1HG1 VAL 41 4.302 4.355 1.806 796 2HG1 VAL 41 2HG1 VAL 41 3.459 2.806 1.751 797 3HG1 VAL 41 3HG1 VAL 41 2.696 4.198 2.517 798 1HG2 VAL 41 1HG2 VAL 41 0.909 3.485 1.249 799 2HG2 VAL 41 2HG2 VAL 41 1.413 2.658 -0.225 800 3HG2 VAL 41 3HG2 VAL 41 0.674 4.257 -0.319 801 H MET 42 H MET 42 4.495 6.358 -1.268 802 HA MET 42 HA MET 42 6.513 6.928 0.729 803 1HB MET 42 1HB MET 42 6.245 6.514 -2.080 804 2HB MET 42 2HB MET 42 7.080 8.049 -1.854 805 1HG MET 42 1HG MET 42 7.885 5.597 -0.299 806 2HG MET 42 2HG MET 42 8.516 5.896 -1.918 807 1HE MET 42 1HE MET 42 10.193 6.956 -2.506 808 2HE MET 42 2HE MET 42 11.251 8.076 -1.651 809 3HE MET 42 3HE MET 42 9.771 8.669 -2.400 810 H GLU 43 H GLU 43 4.432 8.961 -1.342 811 HA GLU 43 HA GLU 43 5.624 11.472 -0.530 812 1HB GLU 43 1HB GLU 43 3.117 10.550 -1.926 813 2HB GLU 43 2HB GLU 43 3.336 12.256 -1.529 814 1HG GLU 43 1HG GLU 43 5.697 11.007 -2.767 815 2HG GLU 43 2HG GLU 43 4.278 11.055 -3.815 816 H SER 44 H SER 44 3.240 9.359 0.885 817 HA SER 44 HA SER 44 1.772 11.262 2.446 818 1HB SER 44 1HB SER 44 1.370 8.758 1.907 819 2HB SER 44 2HB SER 44 2.445 8.432 3.263 820 HG SER 44 HG SER 44 -0.032 8.770 3.505 821 H PHE 45 H PHE 45 4.519 9.153 3.393 822 HA PHE 45 HA PHE 45 4.860 10.231 6.011 823 1HB PHE 45 1HB PHE 45 6.726 8.899 4.030 824 2HB PHE 45 2HB PHE 45 7.140 9.175 5.722 825 HD1 PHE 45 HD1 PHE 45 6.214 6.642 3.667 826 HD2 PHE 45 HD2 PHE 45 4.792 8.594 7.247 827 HE1 PHE 45 HE1 PHE 45 5.005 4.564 4.321 828 HE2 PHE 45 HE2 PHE 45 3.582 6.516 7.899 829 HZ PHE 45 HZ PHE 45 3.693 4.501 6.440 830 H LYS 46 H LYS 46 5.954 11.371 2.862 831 HA LYS 46 HA LYS 46 8.048 13.123 3.772 832 1HB LYS 46 1HB LYS 46 6.936 12.249 1.382 833 2HB LYS 46 2HB LYS 46 6.544 13.969 1.402 834 1HG LYS 46 1HG LYS 46 8.858 14.572 1.691 835 2HG LYS 46 2HG LYS 46 9.318 12.892 1.956 836 1HD LYS 46 1HD LYS 46 8.947 12.308 -0.303 837 2HD LYS 46 2HD LYS 46 7.991 13.759 -0.609 838 1HE LYS 46 1HE LYS 46 9.958 14.544 -1.503 839 2HE LYS 46 2HE LYS 46 10.373 14.861 0.193 840 1HZ LYS 46 1HZ LYS 46 10.892 12.318 -1.260 841 2HZ LYS 46 2HZ LYS 46 11.290 12.637 0.361 842 3HZ LYS 46 3HZ LYS 46 12.063 13.488 -0.890 843 H LYS 47 H LYS 47 4.542 13.503 3.518 844 HA LYS 47 HA LYS 47 4.272 16.302 3.630 845 1HB LYS 47 1HB LYS 47 2.741 13.892 4.316 846 2HB LYS 47 2HB LYS 47 2.268 15.305 5.256 847 1HG LYS 47 1HG LYS 47 2.134 16.590 3.078 848 2HG LYS 47 2HG LYS 47 2.344 15.051 2.241 849 1HD LYS 47 1HD LYS 47 0.158 15.576 4.275 850 2HD LYS 47 2HD LYS 47 -0.066 15.730 2.531 851 1HE LYS 47 1HE LYS 47 0.781 13.315 2.348 852 2HE LYS 47 2HE LYS 47 0.573 13.224 4.108 853 1HZ LYS 47 1HZ LYS 47 -1.490 13.904 2.086 854 2HZ LYS 47 2HZ LYS 47 -1.709 14.131 3.755 855 3HZ LYS 47 3HZ LYS 47 -1.479 12.568 3.130 856 H GLU 48 H GLU 48 5.187 14.044 6.183 857 HA GLU 48 HA GLU 48 5.170 16.278 8.170 858 1HB GLU 48 1HB GLU 48 5.428 13.270 8.494 859 2HB GLU 48 2HB GLU 48 5.238 14.435 9.805 860 1HG GLU 48 1HG GLU 48 3.105 15.158 8.397 861 2HG GLU 48 2HG GLU 48 3.230 13.507 7.789 862 H GLY 49 H GLY 49 7.292 14.378 6.226 863 1HA GLY 49 1HA GLY 49 9.638 14.758 5.998 864 2HA GLY 49 2HA GLY 49 9.614 15.659 7.513 865 H ARG 50 H ARG 50 8.028 12.580 7.483 866 HA ARG 50 HA ARG 50 9.533 11.504 9.633 867 1HB ARG 50 1HB ARG 50 8.007 10.116 7.403 868 2HB ARG 50 2HB ARG 50 8.403 9.404 8.968 869 1HG ARG 50 1HG ARG 50 7.200 11.817 9.643 870 2HG ARG 50 2HG ARG 50 6.252 11.253 8.268 871 1HD ARG 50 1HD ARG 50 6.127 8.984 9.441 872 2HD ARG 50 2HD ARG 50 6.766 9.807 10.880 873 HE ARG 50 HE ARG 50 4.452 11.090 9.562 874 1HH1 ARG 50 1HH1 ARG 50 5.904 10.594 12.477 875 2HH1 ARG 50 2HH1 ARG 50 4.474 10.146 13.347 876 1HH2 ARG 50 1HH2 ARG 50 2.510 9.869 10.502 877 2HH2 ARG 50 2HH2 ARG 50 2.552 9.735 12.228 878 H ILE 51 H ILE 51 9.881 11.017 6.115 879 HA ILE 51 HA ILE 51 12.302 9.362 6.523 880 HB ILE 51 HB ILE 51 12.111 9.110 4.062 881 1HG1 ILE 51 1HG1 ILE 51 9.625 10.817 4.203 882 2HG1 ILE 51 2HG1 ILE 51 11.197 11.534 3.849 883 1HG2 ILE 51 1HG2 ILE 51 10.756 7.469 4.872 884 2HG2 ILE 51 2HG2 ILE 51 9.451 8.492 4.267 885 3HG2 ILE 51 3HG2 ILE 51 9.917 8.570 5.966 886 1HD1 ILE 51 1HD1 ILE 51 9.507 9.766 2.178 887 2HD1 ILE 51 2HD1 ILE 51 11.234 9.415 2.148 888 3HD1 ILE 51 3HD1 ILE 51 10.653 11.016 1.693 889 H GLY 52 H GLY 52 14.248 9.974 5.098 890 1HA GLY 52 1HA GLY 52 14.568 12.947 5.001 891 2HA GLY 52 2HA GLY 52 15.846 11.900 5.617 892 H ALA 53 H ALA 53 13.806 12.237 2.691 893 HA ALA 53 HA ALA 53 15.672 10.854 0.972 894 1HB ALA 53 1HB ALA 53 13.854 12.857 -0.208 895 2HB ALA 53 2HB ALA 53 13.064 11.720 0.885 896 3HB ALA 53 3HB ALA 53 13.959 11.123 -0.512 Start of MODEL 8 1 1H MET 1 1H MET 1 7.900 -21.148 20.357 2 2H MET 1 2H MET 1 6.574 -21.733 21.245 3 3H MET 1 3H MET 1 7.414 -20.356 21.776 4 HA MET 1 HA MET 1 5.385 -19.613 20.771 5 1HB MET 1 1HB MET 1 8.087 -19.140 19.751 6 2HB MET 1 2HB MET 1 6.845 -18.720 18.572 7 1HG MET 1 1HG MET 1 6.752 -16.754 19.717 8 2HG MET 1 2HG MET 1 5.770 -17.674 20.856 9 1HE MET 1 1HE MET 1 7.475 -16.435 23.828 10 2HE MET 1 2HE MET 1 6.094 -17.273 23.128 11 3HE MET 1 3HE MET 1 6.530 -15.668 22.546 12 H LYS 2 H LYS 2 3.740 -20.703 19.753 13 HA LYS 2 HA LYS 2 4.373 -22.395 17.377 14 1HB LYS 2 1HB LYS 2 1.876 -22.132 19.084 15 2HB LYS 2 2HB LYS 2 2.168 -23.370 17.865 16 1HG LYS 2 1HG LYS 2 4.318 -23.886 19.254 17 2HG LYS 2 2HG LYS 2 3.488 -23.019 20.546 18 1HD LYS 2 1HD LYS 2 1.537 -24.533 20.285 19 2HD LYS 2 2HD LYS 2 2.414 -25.425 19.043 20 1HE LYS 2 1HE LYS 2 4.041 -25.120 21.440 21 2HE LYS 2 2HE LYS 2 2.504 -25.936 21.794 22 1HZ LYS 2 1HZ LYS 2 4.359 -26.622 19.574 23 2HZ LYS 2 2HZ LYS 2 2.874 -27.382 19.890 24 3HZ LYS 2 3HZ LYS 2 4.154 -27.520 20.998 25 H GLY 3 H GLY 3 4.313 -19.460 17.151 26 1HA GLY 3 1HA GLY 3 2.463 -19.263 14.910 27 2HA GLY 3 2HA GLY 3 1.972 -18.274 16.285 28 H MET 4 H MET 4 3.659 -18.151 13.455 29 HA MET 4 HA MET 4 5.515 -16.021 14.466 30 1HB MET 4 1HB MET 4 5.614 -18.093 12.292 31 2HB MET 4 2HB MET 4 6.550 -16.609 12.099 32 1HG MET 4 1HG MET 4 7.147 -17.282 14.684 33 2HG MET 4 2HG MET 4 6.975 -18.874 13.944 34 1HE MET 4 1HE MET 4 10.693 -16.875 14.222 35 2HE MET 4 2HE MET 4 9.848 -18.171 15.065 36 3HE MET 4 3HE MET 4 9.178 -16.541 15.071 37 H SER 5 H SER 5 5.896 -14.284 12.696 38 HA SER 5 HA SER 5 3.667 -13.863 10.815 39 1HB SER 5 1HB SER 5 3.905 -12.588 13.493 40 2HB SER 5 2HB SER 5 3.441 -11.528 12.164 41 HG SER 5 HG SER 5 1.962 -13.319 13.475 42 H LYS 6 H LYS 6 4.134 -12.147 9.322 43 HA LYS 6 HA LYS 6 6.620 -10.581 9.671 44 1HB LYS 6 1HB LYS 6 6.270 -12.973 7.936 45 2HB LYS 6 2HB LYS 6 7.118 -11.606 7.214 46 1HG LYS 6 1HG LYS 6 8.446 -11.588 9.481 47 2HG LYS 6 2HG LYS 6 7.887 -13.258 9.601 48 1HD LYS 6 1HD LYS 6 9.348 -12.116 7.201 49 2HD LYS 6 2HD LYS 6 10.118 -13.053 8.482 50 1HE LYS 6 1HE LYS 6 7.767 -14.455 7.550 51 2HE LYS 6 2HE LYS 6 8.835 -14.081 6.182 52 1HZ LYS 6 1HZ LYS 6 9.542 -16.120 7.270 53 2HZ LYS 6 2HZ LYS 6 9.668 -15.310 8.759 54 3HZ LYS 6 3HZ LYS 6 10.712 -14.908 7.479 55 H MET 7 H MET 7 6.939 -9.408 7.318 56 HA MET 7 HA MET 7 4.609 -7.751 6.960 57 1HB MET 7 1HB MET 7 5.999 -6.708 5.243 58 2HB MET 7 2HB MET 7 7.012 -7.115 6.627 59 1HG MET 7 1HG MET 7 7.035 -9.416 5.020 60 2HG MET 7 2HG MET 7 7.175 -8.073 3.887 61 1HE MET 7 1HE MET 7 8.864 -6.422 3.747 62 2HE MET 7 2HE MET 7 10.288 -6.211 4.761 63 3HE MET 7 3HE MET 7 8.696 -5.794 5.392 64 HA PRO 8 HA PRO 8 2.413 -9.953 3.847 65 1HB PRO 8 1HB PRO 8 1.515 -7.944 2.220 66 2HB PRO 8 2HB PRO 8 0.853 -8.241 3.840 67 1HG PRO 8 1HG PRO 8 2.814 -6.192 2.944 68 2HG PRO 8 2HG PRO 8 1.503 -6.061 4.126 69 1HD PRO 8 1HD PRO 8 4.130 -6.361 4.807 70 2HD PRO 8 2HD PRO 8 2.779 -6.897 5.829 71 H GLN 9 H GLN 9 2.532 -10.616 1.572 72 HA GLN 9 HA GLN 9 5.207 -10.398 0.441 73 1HB GLN 9 1HB GLN 9 3.033 -12.138 0.361 74 2HB GLN 9 2HB GLN 9 3.092 -11.473 -1.271 75 1HG GLN 9 1HG GLN 9 5.543 -12.550 0.137 76 2HG GLN 9 2HG GLN 9 4.511 -13.557 -0.879 77 1HE2 GLN 9 1HE2 GLN 9 7.381 -12.485 -1.278 78 2HE2 GLN 9 2HE2 GLN 9 7.334 -11.763 -2.814 79 H PHE 10 H PHE 10 2.402 -8.451 0.200 80 HA PHE 10 HA PHE 10 2.686 -7.601 -2.565 81 1HB PHE 10 1HB PHE 10 0.573 -7.459 -1.379 82 2HB PHE 10 2HB PHE 10 1.302 -6.479 -0.108 83 HD1 PHE 10 HD1 PHE 10 1.322 -4.124 -0.272 84 HD2 PHE 10 HD2 PHE 10 0.615 -6.508 -3.801 85 HE1 PHE 10 HE1 PHE 10 0.808 -2.057 -1.564 86 HE2 PHE 10 HE2 PHE 10 0.102 -4.440 -5.094 87 HZ PHE 10 HZ PHE 10 0.197 -2.214 -3.975 88 H LEU 11 H LEU 11 4.072 -6.600 0.514 89 HA LEU 11 HA LEU 11 5.220 -4.140 -0.699 90 1HB LEU 11 1HB LEU 11 5.445 -5.263 2.112 91 2HB LEU 11 2HB LEU 11 5.790 -3.610 1.605 92 HG LEU 11 HG LEU 11 3.068 -4.922 1.365 93 1HD1 LEU 11 1HD1 LEU 11 2.442 -3.537 3.302 94 2HD1 LEU 11 2HD1 LEU 11 4.099 -2.944 3.422 95 3HD1 LEU 11 3HD1 LEU 11 3.747 -4.646 3.730 96 1HD2 LEU 11 1HD2 LEU 11 3.513 -3.082 -0.228 97 2HD2 LEU 11 2HD2 LEU 11 3.985 -2.039 1.113 98 3HD2 LEU 11 3HD2 LEU 11 2.319 -2.601 0.977 99 H ASN 12 H ASN 12 6.087 -7.037 -1.311 100 HA ASN 12 HA ASN 12 8.723 -7.375 -0.150 101 1HB ASN 12 1HB ASN 12 6.922 -8.936 -1.441 102 2HB ASN 12 2HB ASN 12 8.029 -8.592 -2.771 103 1HD2 ASN 12 1HD2 ASN 12 7.683 -10.305 0.271 104 2HD2 ASN 12 2HD2 ASN 12 9.203 -11.060 0.241 105 H ARG 13 H ARG 13 7.485 -5.470 -2.775 106 HA ARG 13 HA ARG 13 10.168 -5.224 -4.037 107 1HB ARG 13 1HB ARG 13 7.323 -4.718 -4.735 108 2HB ARG 13 2HB ARG 13 8.507 -3.641 -5.476 109 1HG ARG 13 1HG ARG 13 9.075 -6.579 -5.487 110 2HG ARG 13 2HG ARG 13 7.867 -5.961 -6.614 111 1HD ARG 13 1HD ARG 13 9.480 -4.394 -7.564 112 2HD ARG 13 2HD ARG 13 10.696 -4.874 -6.363 113 HE ARG 13 HE ARG 13 10.539 -7.198 -7.350 114 1HH1 ARG 13 1HH1 ARG 13 11.474 -4.852 -9.262 115 2HH1 ARG 13 2HH1 ARG 13 10.765 -5.408 -10.740 116 1HH2 ARG 13 1HH2 ARG 13 8.739 -7.760 -9.194 117 2HH2 ARG 13 2HH2 ARG 13 9.218 -7.055 -10.702 118 H TRP 14 H TRP 14 8.611 -3.771 -1.474 119 HA TRP 14 HA TRP 14 9.227 -0.972 -2.064 120 1HB TRP 14 1HB TRP 14 8.254 -2.586 0.290 121 2HB TRP 14 2HB TRP 14 8.563 -0.861 0.409 122 HD1 TRP 14 HD1 TRP 14 7.062 -2.490 -2.737 123 HE1 TRP 14 HE1 TRP 14 4.671 -1.566 -3.060 124 HE3 TRP 14 HE3 TRP 14 6.621 0.190 1.549 125 HZ2 TRP 14 HZ2 TRP 14 2.795 0.118 -1.650 126 HZ3 TRP 14 HZ3 TRP 14 4.528 1.447 2.073 127 HH2 TRP 14 HH2 TRP 14 2.618 1.417 0.473 128 HA PRO 15 HA PRO 15 13.385 -1.085 -0.589 129 1HB PRO 15 1HB PRO 15 13.641 1.425 0.451 130 2HB PRO 15 2HB PRO 15 13.624 1.089 -1.289 131 1HG PRO 15 1HG PRO 15 11.440 2.084 0.470 132 2HG PRO 15 2HG PRO 15 11.859 2.560 -1.181 133 1HD PRO 15 1HD PRO 15 9.797 0.883 -0.595 134 2HD PRO 15 2HD PRO 15 10.709 0.803 -2.118 135 H ARG 16 H ARG 16 14.663 -0.961 1.376 136 HA ARG 16 HA ARG 16 13.423 -2.093 3.671 137 1HB ARG 16 1HB ARG 16 15.969 -1.576 2.607 138 2HB ARG 16 2HB ARG 16 15.938 -0.710 4.138 139 1HG ARG 16 1HG ARG 16 14.997 -2.818 5.166 140 2HG ARG 16 2HG ARG 16 15.391 -3.621 3.648 141 1HD ARG 16 1HD ARG 16 17.712 -3.360 3.961 142 2HD ARG 16 2HD ARG 16 17.496 -2.032 5.119 143 HE ARG 16 HE ARG 16 16.263 -4.528 6.000 144 1HH1 ARG 16 1HH1 ARG 16 19.382 -4.542 5.331 145 2HH1 ARG 16 2HH1 ARG 16 19.995 -4.428 6.946 146 1HH2 ARG 16 1HH2 ARG 16 16.937 -3.557 8.330 147 2HH2 ARG 16 2HH2 ARG 16 18.611 -3.870 8.645 148 H GLU 17 H GLU 17 14.509 1.185 2.942 149 HA GLU 17 HA GLU 17 14.106 2.363 5.497 150 1HB GLU 17 1HB GLU 17 14.557 3.146 2.720 151 2HB GLU 17 2HB GLU 17 13.559 4.319 3.580 152 1HG GLU 17 1HG GLU 17 15.608 3.588 5.380 153 2HG GLU 17 2HG GLU 17 16.399 3.837 3.824 154 H VAL 18 H VAL 18 11.880 2.423 2.673 155 HA VAL 18 HA VAL 18 9.730 3.730 4.005 156 HB VAL 18 HB VAL 18 9.823 1.755 1.699 157 1HG1 VAL 18 1HG1 VAL 18 7.641 2.982 1.087 158 2HG1 VAL 18 2HG1 VAL 18 7.610 3.518 2.767 159 3HG1 VAL 18 3HG1 VAL 18 7.547 1.796 2.388 160 1HG2 VAL 18 1HG2 VAL 18 9.791 3.780 0.320 161 2HG2 VAL 18 2HG2 VAL 18 11.146 3.858 1.447 162 3HG2 VAL 18 3HG2 VAL 18 9.680 4.789 1.763 163 H LEU 19 H LEU 19 10.374 0.236 3.577 164 HA LEU 19 HA LEU 19 8.011 -0.721 4.849 165 1HB LEU 19 1HB LEU 19 10.808 -1.810 4.466 166 2HB LEU 19 2HB LEU 19 9.500 -2.780 5.143 167 HG LEU 19 HG LEU 19 9.422 -1.395 2.446 168 1HD1 LEU 19 1HD1 LEU 19 10.195 -3.307 1.493 169 2HD1 LEU 19 2HD1 LEU 19 9.275 -4.333 2.595 170 3HD1 LEU 19 3HD1 LEU 19 10.829 -3.668 3.099 171 1HD2 LEU 19 1HD2 LEU 19 7.201 -1.761 2.541 172 2HD2 LEU 19 2HD2 LEU 19 7.374 -2.435 4.162 173 3HD2 LEU 19 3HD2 LEU 19 7.501 -3.486 2.753 174 H ASP 20 H ASP 20 11.088 0.387 6.174 175 HA ASP 20 HA ASP 20 10.683 -0.679 8.837 176 1HB ASP 20 1HB ASP 20 12.817 0.125 7.580 177 2HB ASP 20 2HB ASP 20 12.338 1.737 8.117 178 H LEU 21 H LEU 21 9.583 2.170 7.152 179 HA LEU 21 HA LEU 21 8.879 3.621 9.620 180 1HB LEU 21 1HB LEU 21 9.703 4.536 7.348 181 2HB LEU 21 2HB LEU 21 8.065 4.226 6.774 182 HG LEU 21 HG LEU 21 7.577 5.529 9.137 183 1HD1 LEU 21 1HD1 LEU 21 9.266 6.900 9.734 184 2HD1 LEU 21 2HD1 LEU 21 9.512 7.428 8.068 185 3HD1 LEU 21 3HD1 LEU 21 10.297 5.960 8.654 186 1HD2 LEU 21 1HD2 LEU 21 6.494 5.995 6.999 187 2HD2 LEU 21 2HD2 LEU 21 7.986 6.688 6.364 188 3HD2 LEU 21 3HD2 LEU 21 7.122 7.500 7.670 189 H VAL 22 H VAL 22 7.241 1.803 7.036 190 HA VAL 22 HA VAL 22 4.548 2.377 7.675 191 HB VAL 22 HB VAL 22 5.749 -0.255 6.750 192 1HG1 VAL 22 1HG1 VAL 22 3.076 1.029 6.123 193 2HG1 VAL 22 2HG1 VAL 22 3.310 -0.206 7.361 194 3HG1 VAL 22 3HG1 VAL 22 3.610 -0.589 5.666 195 1HG2 VAL 22 1HG2 VAL 22 4.844 1.224 4.539 196 2HG2 VAL 22 2HG2 VAL 22 6.525 0.907 4.969 197 3HG2 VAL 22 3HG2 VAL 22 5.738 2.385 5.520 198 H ARG 23 H ARG 23 6.672 -0.213 8.951 199 HA ARG 23 HA ARG 23 4.704 -1.394 10.670 200 1HB ARG 23 1HB ARG 23 6.757 -2.377 11.746 201 2HB ARG 23 2HB ARG 23 6.731 -2.544 9.992 202 1HG ARG 23 1HG ARG 23 8.352 -0.871 9.681 203 2HG ARG 23 2HG ARG 23 8.075 -0.175 11.276 204 1HD ARG 23 1HD ARG 23 10.207 -1.474 11.188 205 2HD ARG 23 2HD ARG 23 9.053 -2.190 12.332 206 HE ARG 23 HE ARG 23 8.726 -3.240 9.639 207 1HH1 ARG 23 1HH1 ARG 23 8.526 -4.635 12.391 208 2HH1 ARG 23 2HH1 ARG 23 9.834 -5.764 12.263 209 1HH2 ARG 23 1HH2 ARG 23 11.281 -4.180 9.538 210 2HH2 ARG 23 2HH2 ARG 23 11.395 -5.505 10.646 211 H LYS 24 H LYS 24 6.877 1.363 11.099 212 HA LYS 24 HA LYS 24 6.386 1.548 13.989 213 1HB LYS 24 1HB LYS 24 8.379 2.296 12.313 214 2HB LYS 24 2HB LYS 24 7.482 3.812 12.402 215 1HG LYS 24 1HG LYS 24 7.594 2.827 15.044 216 2HG LYS 24 2HG LYS 24 9.213 2.611 14.381 217 1HD LYS 24 1HD LYS 24 8.207 5.177 13.559 218 2HD LYS 24 2HD LYS 24 8.027 5.023 15.307 219 1HE LYS 24 1HE LYS 24 10.612 4.341 13.870 220 2HE LYS 24 2HE LYS 24 10.279 5.945 14.550 221 1HZ LYS 24 1HZ LYS 24 11.395 4.404 16.131 222 2HZ LYS 24 2HZ LYS 24 10.018 3.411 16.077 223 3HZ LYS 24 3HZ LYS 24 9.907 4.993 16.689 224 H VAL 25 H VAL 25 4.698 2.481 11.169 225 HA VAL 25 HA VAL 25 3.381 4.803 12.489 226 HB VAL 25 HB VAL 25 3.393 3.633 9.690 227 1HG1 VAL 25 1HG1 VAL 25 2.111 5.570 8.987 228 2HG1 VAL 25 2HG1 VAL 25 2.123 6.221 10.627 229 3HG1 VAL 25 3HG1 VAL 25 1.221 4.748 10.269 230 1HG2 VAL 25 1HG2 VAL 25 4.871 5.361 9.131 231 2HG2 VAL 25 2HG2 VAL 25 5.413 4.915 10.750 232 3HG2 VAL 25 3HG2 VAL 25 4.403 6.341 10.520 233 H ALA 26 H ALA 26 2.768 1.504 11.426 234 HA ALA 26 HA ALA 26 -0.132 1.663 11.644 235 1HB ALA 26 1HB ALA 26 0.854 -0.993 11.933 236 2HB ALA 26 2HB ALA 26 1.932 -0.159 10.815 237 3HB ALA 26 3HB ALA 26 0.203 -0.241 10.477 238 H GLU 27 H GLU 27 2.546 0.856 13.791 239 HA GLU 27 HA GLU 27 0.814 -0.228 15.890 240 1HB GLU 27 1HB GLU 27 2.963 -0.336 17.112 241 2HB GLU 27 2HB GLU 27 3.132 -0.988 15.483 242 1HG GLU 27 1HG GLU 27 4.292 0.908 14.709 243 2HG GLU 27 2HG GLU 27 3.718 1.915 16.037 244 H GLU 28 H GLU 28 1.723 2.922 14.854 245 HA GLU 28 HA GLU 28 1.565 4.144 17.536 246 1HB GLU 28 1HB GLU 28 1.942 5.101 14.694 247 2HB GLU 28 2HB GLU 28 1.767 6.234 16.034 248 1HG GLU 28 1HG GLU 28 3.832 4.015 15.952 249 2HG GLU 28 2HG GLU 28 4.160 5.686 15.488 250 H ASN 29 H ASN 29 -0.300 4.450 14.480 251 HA ASN 29 HA ASN 29 -2.420 6.019 15.554 252 1HB ASN 29 1HB ASN 29 -2.066 4.135 13.226 253 2HB ASN 29 2HB ASN 29 -3.624 4.912 13.517 254 1HD2 ASN 29 1HD2 ASN 29 -1.865 5.462 11.218 255 2HD2 ASN 29 2HD2 ASN 29 -1.419 7.098 11.327 256 H GLY 30 H GLY 30 -1.749 2.601 15.819 257 1HA GLY 30 1HA GLY 30 -2.817 1.219 17.497 258 2HA GLY 30 2HA GLY 30 -4.209 2.301 17.459 259 H ARG 31 H ARG 31 -2.582 0.925 14.638 260 HA ARG 31 HA ARG 31 -4.924 -0.868 14.158 261 1HB ARG 31 1HB ARG 31 -3.757 1.067 12.131 262 2HB ARG 31 2HB ARG 31 -5.191 0.064 11.931 263 1HG ARG 31 1HG ARG 31 -6.326 1.296 13.731 264 2HG ARG 31 2HG ARG 31 -4.885 2.286 13.973 265 1HD ARG 31 1HD ARG 31 -5.133 2.844 11.428 266 2HD ARG 31 2HD ARG 31 -6.805 2.291 11.649 267 HE ARG 31 HE ARG 31 -5.647 4.715 12.801 268 1HH1 ARG 31 1HH1 ARG 31 -8.516 4.268 11.874 269 2HH1 ARG 31 2HH1 ARG 31 -9.365 4.298 13.384 270 1HH2 ARG 31 1HH2 ARG 31 -6.504 3.871 15.300 271 2HH2 ARG 31 2HH2 ARG 31 -8.225 4.074 15.324 272 H SER 32 H SER 32 -4.055 -1.469 11.481 273 HA SER 32 HA SER 32 -1.518 -2.956 12.059 274 1HB SER 32 1HB SER 32 -2.574 -4.365 10.087 275 2HB SER 32 2HB SER 32 -3.199 -4.550 11.723 276 HG SER 32 HG SER 32 -4.846 -4.200 10.141 277 H VAL 33 H VAL 33 -0.289 -3.414 9.907 278 HA VAL 33 HA VAL 33 0.296 -0.889 8.632 279 HB VAL 33 HB VAL 33 1.106 -3.772 8.171 280 1HG1 VAL 33 1HG1 VAL 33 1.701 -1.301 6.683 281 2HG1 VAL 33 2HG1 VAL 33 1.877 -2.984 6.187 282 3HG1 VAL 33 3HG1 VAL 33 3.125 -2.217 7.170 283 1HG2 VAL 33 1HG2 VAL 33 2.871 -3.329 9.619 284 2HG2 VAL 33 2HG2 VAL 33 1.610 -2.321 10.331 285 3HG2 VAL 33 3HG2 VAL 33 2.838 -1.595 9.292 286 H ASN 34 H ASN 34 -1.838 -3.558 7.887 287 HA ASN 34 HA ASN 34 -2.083 -3.065 5.034 288 1HB ASN 34 1HB ASN 34 -2.752 -5.086 6.602 289 2HB ASN 34 2HB ASN 34 -4.259 -4.189 6.787 290 1HD2 ASN 34 1HD2 ASN 34 -4.715 -6.509 5.545 291 2HD2 ASN 34 2HD2 ASN 34 -4.845 -6.340 3.861 292 H SER 35 H SER 35 -3.558 -1.742 7.941 293 HA SER 35 HA SER 35 -5.588 -0.235 6.416 294 1HB SER 35 1HB SER 35 -5.075 -1.101 9.129 295 2HB SER 35 2HB SER 35 -5.396 0.630 9.107 296 HG SER 35 HG SER 35 -7.395 0.233 8.588 297 H GLU 36 H GLU 36 -2.438 0.256 7.923 298 HA GLU 36 HA GLU 36 -2.419 3.118 7.980 299 1HB GLU 36 1HB GLU 36 -0.868 1.381 9.059 300 2HB GLU 36 2HB GLU 36 -0.091 1.246 7.482 301 1HG GLU 36 1HG GLU 36 -0.165 3.944 7.775 302 2HG GLU 36 2HG GLU 36 0.020 3.438 9.453 303 H ILE 37 H ILE 37 -0.874 0.888 5.636 304 HA ILE 37 HA ILE 37 -0.250 2.860 3.669 305 HB ILE 37 HB ILE 37 -0.853 -0.114 3.523 306 1HG1 ILE 37 1HG1 ILE 37 1.041 0.677 5.005 307 2HG1 ILE 37 2HG1 ILE 37 1.532 -0.411 3.707 308 1HG2 ILE 37 1HG2 ILE 37 -0.690 0.054 1.288 309 2HG2 ILE 37 2HG2 ILE 37 0.962 0.651 1.489 310 3HG2 ILE 37 3HG2 ILE 37 -0.387 1.788 1.405 311 1HD1 ILE 37 1HD1 ILE 37 1.559 2.501 3.089 312 2HD1 ILE 37 2HD1 ILE 37 2.663 1.229 2.572 313 3HD1 ILE 37 3HD1 ILE 37 2.801 1.913 4.193 314 H TYR 38 H TYR 38 -3.239 1.263 4.511 315 HA TYR 38 HA TYR 38 -4.626 1.687 2.005 316 1HB TYR 38 1HB TYR 38 -5.297 -0.038 3.546 317 2HB TYR 38 2HB TYR 38 -5.416 1.112 4.874 318 HD1 TYR 38 HD1 TYR 38 -7.621 1.442 5.517 319 HD2 TYR 38 HD2 TYR 38 -6.677 1.075 1.331 320 HE1 TYR 38 HE1 TYR 38 -10.010 1.871 4.946 321 HE2 TYR 38 HE2 TYR 38 -9.062 1.503 0.747 322 HH TYR 38 HH TYR 38 -11.260 2.802 2.871 323 H GLN 39 H GLN 39 -4.205 3.549 4.992 324 HA GLN 39 HA GLN 39 -6.207 5.568 4.312 325 1HB GLN 39 1HB GLN 39 -4.992 4.719 6.577 326 2HB GLN 39 2HB GLN 39 -3.970 6.108 6.208 327 1HG GLN 39 1HG GLN 39 -5.559 7.379 7.189 328 2HG GLN 39 2HG GLN 39 -6.556 7.051 5.772 329 1HE2 GLN 39 1HE2 GLN 39 -8.573 6.242 6.334 330 2HE2 GLN 39 2HE2 GLN 39 -8.894 5.261 7.682 331 H ARG 40 H ARG 40 -2.635 5.425 4.296 332 HA ARG 40 HA ARG 40 -2.150 8.055 3.299 333 1HB ARG 40 1HB ARG 40 -0.593 5.489 2.831 334 2HB ARG 40 2HB ARG 40 0.058 7.127 2.800 335 1HG ARG 40 1HG ARG 40 -1.000 7.199 5.249 336 2HG ARG 40 2HG ARG 40 -0.761 5.455 5.137 337 1HD ARG 40 1HD ARG 40 1.590 5.684 4.843 338 2HD ARG 40 2HD ARG 40 1.454 7.414 4.471 339 HE ARG 40 HE ARG 40 1.324 6.220 7.156 340 1HH1 ARG 40 1HH1 ARG 40 2.464 8.909 5.895 341 2HH1 ARG 40 2HH1 ARG 40 1.541 10.047 6.816 342 1HH2 ARG 40 1HH2 ARG 40 -0.687 7.672 8.012 343 2HH2 ARG 40 2HH2 ARG 40 -0.243 9.346 8.017 344 H VAL 41 H VAL 41 -3.169 5.098 1.739 345 HA VAL 41 HA VAL 41 -2.613 6.089 -0.986 346 HB VAL 41 HB VAL 41 -3.843 3.606 0.245 347 1HG1 VAL 41 1HG1 VAL 41 -3.891 2.620 -1.966 348 2HG1 VAL 41 2HG1 VAL 41 -3.216 4.084 -2.682 349 3HG1 VAL 41 3HG1 VAL 41 -4.845 4.102 -2.000 350 1HG2 VAL 41 1HG2 VAL 41 -1.782 2.569 -0.263 351 2HG2 VAL 41 2HG2 VAL 41 -1.318 4.159 0.344 352 3HG2 VAL 41 3HG2 VAL 41 -1.320 3.843 -1.392 353 H MET 42 H MET 42 -5.324 5.743 1.238 354 HA MET 42 HA MET 42 -7.469 6.085 -0.628 355 1HB MET 42 1HB MET 42 -7.046 5.729 2.136 356 2HB MET 42 2HB MET 42 -7.953 7.235 1.991 357 1HG MET 42 1HG MET 42 -8.795 4.839 0.392 358 2HG MET 42 2HG MET 42 -9.248 4.952 2.093 359 1HE MET 42 1HE MET 42 -10.200 7.695 2.940 360 2HE MET 42 2HE MET 42 -10.890 6.077 3.035 361 3HE MET 42 3HE MET 42 -11.870 7.411 2.433 362 H GLU 43 H GLU 43 -6.347 8.523 1.748 363 HA GLU 43 HA GLU 43 -7.582 10.756 0.538 364 1HB GLU 43 1HB GLU 43 -5.947 12.029 1.900 365 2HB GLU 43 2HB GLU 43 -6.610 10.668 2.806 366 1HG GLU 43 1HG GLU 43 -4.606 9.319 2.139 367 2HG GLU 43 2HG GLU 43 -3.927 10.769 1.398 368 H SER 44 H SER 44 -4.730 9.010 -0.444 369 HA SER 44 HA SER 44 -3.327 11.032 -1.879 370 1HB SER 44 1HB SER 44 -2.595 8.685 -1.310 371 2HB SER 44 2HB SER 44 -3.669 8.098 -2.577 372 HG SER 44 HG SER 44 -1.646 10.043 -2.992 373 H PHE 45 H PHE 45 -5.728 8.659 -3.105 374 HA PHE 45 HA PHE 45 -5.912 9.689 -5.751 375 1HB PHE 45 1HB PHE 45 -7.787 8.195 -3.904 376 2HB PHE 45 2HB PHE 45 -8.187 8.513 -5.590 377 HD1 PHE 45 HD1 PHE 45 -7.327 5.889 -3.755 378 HD2 PHE 45 HD2 PHE 45 -5.596 8.207 -6.959 379 HE1 PHE 45 HE1 PHE 45 -5.994 3.909 -4.466 380 HE2 PHE 45 HE2 PHE 45 -4.262 6.225 -7.671 381 HZ PHE 45 HZ PHE 45 -4.468 4.075 -6.427 382 H LYS 46 H LYS 46 -7.443 10.675 -2.735 383 HA LYS 46 HA LYS 46 -9.497 12.347 -3.874 384 1HB LYS 46 1HB LYS 46 -9.537 11.456 -1.594 385 2HB LYS 46 2HB LYS 46 -8.064 12.340 -1.198 386 1HG LYS 46 1HG LYS 46 -9.169 14.455 -1.423 387 2HG LYS 46 2HG LYS 46 -10.590 13.703 -2.136 388 1HD LYS 46 1HD LYS 46 -9.772 12.711 0.544 389 2HD LYS 46 2HD LYS 46 -10.450 14.338 0.479 390 1HE LYS 46 1HE LYS 46 -12.540 13.551 0.078 391 2HE LYS 46 2HE LYS 46 -11.960 12.399 -1.139 392 1HZ LYS 46 1HZ LYS 46 -12.840 11.464 1.067 393 2HZ LYS 46 2HZ LYS 46 -11.370 12.005 1.731 394 3HZ LYS 46 3HZ LYS 46 -11.370 10.858 0.477 395 H LYS 47 H LYS 47 -6.099 12.885 -3.061 396 HA LYS 47 HA LYS 47 -6.133 15.757 -3.136 397 1HB LYS 47 1HB LYS 47 -4.271 13.547 -2.934 398 2HB LYS 47 2HB LYS 47 -3.623 14.793 -4.001 399 1HG LYS 47 1HG LYS 47 -4.902 15.820 -1.544 400 2HG LYS 47 2HG LYS 47 -3.440 14.870 -1.274 401 1HD LYS 47 1HD LYS 47 -2.086 16.396 -2.325 402 2HD LYS 47 2HD LYS 47 -3.338 16.871 -3.473 403 1HE LYS 47 1HE LYS 47 -4.019 17.564 -0.701 404 2HE LYS 47 2HE LYS 47 -2.559 18.382 -1.293 405 1HZ LYS 47 1HZ LYS 47 -3.812 18.883 -3.359 406 2HZ LYS 47 2HZ LYS 47 -4.442 19.656 -1.984 407 3HZ LYS 47 3HZ LYS 47 -5.215 18.282 -2.620 408 H GLU 48 H GLU 48 -5.920 13.292 -5.649 409 HA GLU 48 HA GLU 48 -5.306 15.332 -7.720 410 1HB GLU 48 1HB GLU 48 -4.183 13.085 -7.573 411 2HB GLU 48 2HB GLU 48 -5.742 12.336 -7.924 412 1HG GLU 48 1HG GLU 48 -5.800 13.161 -10.108 413 2HG GLU 48 2HG GLU 48 -4.683 14.477 -9.745 414 H GLY 49 H GLY 49 -8.022 13.647 -6.377 415 1HA GLY 49 1HA GLY 49 -10.310 14.107 -6.854 416 2HA GLY 49 2HA GLY 49 -9.806 14.985 -8.298 417 H ARG 50 H ARG 50 -8.375 11.876 -7.889 418 HA ARG 50 HA ARG 50 -9.345 10.847 -10.355 419 1HB ARG 50 1HB ARG 50 -7.370 10.191 -8.776 420 2HB ARG 50 2HB ARG 50 -8.555 9.148 -7.992 421 1HG ARG 50 1HG ARG 50 -7.465 7.815 -9.665 422 2HG ARG 50 2HG ARG 50 -9.072 8.193 -10.288 423 1HD ARG 50 1HD ARG 50 -7.883 8.833 -12.154 424 2HD ARG 50 2HD ARG 50 -7.656 10.333 -11.230 425 HE ARG 50 HE ARG 50 -5.687 8.446 -10.388 426 1HH1 ARG 50 1HH1 ARG 50 -6.132 11.216 -12.191 427 2HH1 ARG 50 2HH1 ARG 50 -4.734 11.012 -13.195 428 1HH2 ARG 50 1HH2 ARG 50 -4.072 7.797 -12.074 429 2HH2 ARG 50 2HH2 ARG 50 -3.568 9.075 -13.127 430 H ILE 51 H ILE 51 -10.620 10.601 -7.061 431 HA ILE 51 HA ILE 51 -12.750 8.730 -7.906 432 HB ILE 51 HB ILE 51 -12.100 10.106 -5.276 433 1HG1 ILE 51 1HG1 ILE 51 -11.630 7.203 -5.910 434 2HG1 ILE 51 2HG1 ILE 51 -10.450 8.410 -6.412 435 1HG2 ILE 51 1HG2 ILE 51 -14.490 9.212 -5.708 436 2HG2 ILE 51 2HG2 ILE 51 -13.670 8.667 -4.248 437 3HG2 ILE 51 3HG2 ILE 51 -13.760 7.611 -5.658 438 1HD1 ILE 51 1HD1 ILE 51 -9.814 8.876 -4.260 439 2HD1 ILE 51 2HD1 ILE 51 -10.390 7.234 -3.981 440 3HD1 ILE 51 3HD1 ILE 51 -11.430 8.612 -3.614 441 H GLY 52 H GLY 52 -12.750 11.843 -6.119 442 1HA GLY 52 1HA GLY 52 -14.070 13.697 -7.317 443 2HA GLY 52 2HA GLY 52 -15.340 12.480 -7.476 444 H ALA 53 H ALA 53 -14.990 11.288 -4.881 445 HA ALA 53 HA ALA 53 -15.430 13.489 -2.940 446 1HB ALA 53 1HB ALA 53 -17.520 12.366 -4.394 447 2HB ALA 53 2HB ALA 53 -17.690 13.234 -2.867 448 3HB ALA 53 3HB ALA 53 -17.560 11.475 -2.872 449 1H MET 1 1H MET 1 -6.343 -20.938 -21.592 450 2H MET 1 2H MET 1 -4.970 -21.376 -22.493 451 3H MET 1 3H MET 1 -5.920 -20.053 -22.976 452 HA MET 1 HA MET 1 -3.965 -19.181 -21.930 453 1HB MET 1 1HB MET 1 -6.700 -18.982 -20.909 454 2HB MET 1 2HB MET 1 -5.502 -18.503 -19.707 455 1HG MET 1 1HG MET 1 -5.577 -16.492 -20.773 456 2HG MET 1 2HG MET 1 -4.514 -17.279 -21.940 457 1HE MET 1 1HE MET 1 -6.309 -16.081 -24.877 458 2HE MET 1 2HE MET 1 -4.862 -16.820 -24.197 459 3HE MET 1 3HE MET 1 -5.440 -15.282 -23.560 460 H LYS 2 H LYS 2 -2.234 -20.168 -20.945 461 HA LYS 2 HA LYS 2 -2.727 -21.998 -18.639 462 1HB LYS 2 1HB LYS 2 -0.254 -21.449 -20.317 463 2HB LYS 2 2HB LYS 2 -0.442 -22.756 -19.147 464 1HG LYS 2 1HG LYS 2 -2.536 -23.400 -20.571 465 2HG LYS 2 2HG LYS 2 -1.776 -22.416 -21.822 466 1HD LYS 2 1HD LYS 2 0.295 -23.767 -21.604 467 2HD LYS 2 2HD LYS 2 -0.511 -24.779 -20.405 468 1HE LYS 2 1HE LYS 2 -2.146 -24.518 -22.801 469 2HE LYS 2 2HE LYS 2 -0.545 -25.186 -23.177 470 1HZ LYS 2 1HZ LYS 2 -2.342 -26.114 -20.998 471 2HZ LYS 2 2HZ LYS 2 -0.796 -26.732 -21.333 472 3HZ LYS 2 3HZ LYS 2 -2.056 -26.935 -22.454 473 H GLY 3 H GLY 3 -2.925 -19.076 -18.299 474 1HA GLY 3 1HA GLY 3 -1.106 -18.807 -16.038 475 2HA GLY 3 2HA GLY 3 -0.695 -17.728 -17.371 476 H MET 4 H MET 4 -2.400 -17.861 -14.552 477 HA MET 4 HA MET 4 -4.428 -15.858 -15.492 478 1HB MET 4 1HB MET 4 -4.349 -18.014 -13.402 479 2HB MET 4 2HB MET 4 -5.410 -16.627 -13.153 480 1HG MET 4 1HG MET 4 -5.942 -17.246 -15.767 481 2HG MET 4 2HG MET 4 -5.633 -18.845 -15.089 482 1HE MET 4 1HE MET 4 -9.509 -17.169 -15.317 483 2HE MET 4 2HE MET 4 -8.548 -18.348 -16.205 484 3HE MET 4 3HE MET 4 -8.026 -16.668 -16.139 485 H SER 5 H SER 5 -4.958 -14.228 -13.659 486 HA SER 5 HA SER 5 -2.782 -13.693 -11.749 487 1HB SER 5 1HB SER 5 -3.119 -12.341 -14.377 488 2HB SER 5 2HB SER 5 -2.753 -11.296 -13.006 489 HG SER 5 HG SER 5 -1.119 -12.897 -14.374 490 H LYS 6 H LYS 6 -3.400 -12.077 -10.198 491 HA LYS 6 HA LYS 6 -6.011 -10.724 -10.499 492 1HB LYS 6 1HB LYS 6 -5.459 -13.143 -8.859 493 2HB LYS 6 2HB LYS 6 -6.424 -11.885 -8.085 494 1HG LYS 6 1HG LYS 6 -7.744 -11.893 -10.360 495 2HG LYS 6 2HG LYS 6 -7.042 -13.502 -10.540 496 1HD LYS 6 1HD LYS 6 -8.600 -12.585 -8.107 497 2HD LYS 6 2HD LYS 6 -9.285 -13.535 -9.427 498 1HE LYS 6 1HE LYS 6 -6.824 -14.764 -8.537 499 2HE LYS 6 2HE LYS 6 -7.923 -14.536 -7.161 500 1HZ LYS 6 1HZ LYS 6 -8.448 -16.584 -8.333 501 2HZ LYS 6 2HZ LYS 6 -8.643 -15.730 -9.788 502 3HZ LYS 6 3HZ LYS 6 -9.717 -15.471 -8.498 503 H MET 7 H MET 7 -6.436 -9.676 -8.105 504 HA MET 7 HA MET 7 -4.257 -7.840 -7.666 505 1HB MET 7 1HB MET 7 -5.739 -6.988 -5.922 506 2HB MET 7 2HB MET 7 -6.707 -7.429 -7.328 507 1HG MET 7 1HG MET 7 -6.539 -9.783 -5.810 508 2HG MET 7 2HG MET 7 -6.798 -8.502 -4.627 509 1HE MET 7 1HE MET 7 -8.617 -7.004 -4.441 510 2HE MET 7 2HE MET 7 -10.050 -6.881 -5.448 511 3HE MET 7 3HE MET 7 -8.510 -6.303 -6.062 512 HA PRO 8 HA PRO 8 -1.890 -9.964 -4.625 513 1HB PRO 8 1HB PRO 8 -1.176 -7.949 -2.917 514 2HB PRO 8 2HB PRO 8 -0.486 -8.126 -4.543 515 1HG PRO 8 1HG PRO 8 -2.618 -6.289 -3.584 516 2HG PRO 8 2HG PRO 8 -1.319 -6.001 -4.751 517 1HD PRO 8 1HD PRO 8 -3.909 -6.500 -5.458 518 2HD PRO 8 2HD PRO 8 -2.514 -6.877 -6.491 519 H GLN 9 H GLN 9 -1.958 -10.722 -2.382 520 HA GLN 9 HA GLN 9 -4.644 -10.779 -1.259 521 1HB GLN 9 1HB GLN 9 -2.326 -12.324 -1.230 522 2HB GLN 9 2HB GLN 9 -2.452 -11.731 0.427 523 1HG GLN 9 1HG GLN 9 -4.793 -12.958 -1.045 524 2HG GLN 9 2HG GLN 9 -3.683 -13.914 -0.060 525 1HE2 GLN 9 1HE2 GLN 9 -6.634 -13.106 0.362 526 2HE2 GLN 9 2HE2 GLN 9 -6.653 -12.443 1.925 527 H PHE 10 H PHE 10 -2.019 -8.607 -0.927 528 HA PHE 10 HA PHE 10 -2.384 -7.894 1.866 529 1HB PHE 10 1HB PHE 10 -0.289 -7.524 0.701 530 2HB PHE 10 2HB PHE 10 -1.094 -6.562 -0.538 531 HD1 PHE 10 HD1 PHE 10 -1.319 -4.227 -0.283 532 HD2 PHE 10 HD2 PHE 10 -0.421 -6.675 3.156 533 HE1 PHE 10 HE1 PHE 10 -0.990 -2.175 1.090 534 HE2 PHE 10 HE2 PHE 10 -0.092 -4.622 4.531 535 HZ PHE 10 HZ PHE 10 -0.377 -2.371 3.498 536 H LEU 11 H LEU 11 -3.841 -6.895 -1.181 537 HA LEU 11 HA LEU 11 -5.202 -4.591 0.117 538 1HB LEU 11 1HB LEU 11 -5.318 -5.623 -2.736 539 2HB LEU 11 2HB LEU 11 -5.808 -4.027 -2.170 540 HG LEU 11 HG LEU 11 -2.983 -5.107 -1.959 541 1HD1 LEU 11 1HD1 LEU 11 -2.472 -3.597 -3.837 542 2HD1 LEU 11 2HD1 LEU 11 -4.175 -3.147 -3.946 543 3HD1 LEU 11 3HD1 LEU 11 -3.673 -4.798 -4.317 544 1HD2 LEU 11 1HD2 LEU 11 -3.591 -3.376 -0.299 545 2HD2 LEU 11 2HD2 LEU 11 -4.146 -2.324 -1.602 546 3HD2 LEU 11 3HD2 LEU 11 -2.438 -2.745 -1.476 547 H ASN 12 H ASN 12 -5.820 -7.577 0.610 548 HA ASN 12 HA ASN 12 -8.415 -8.094 -0.577 549 1HB ASN 12 1HB ASN 12 -6.488 -9.541 0.663 550 2HB ASN 12 2HB ASN 12 -7.624 -9.348 1.998 551 1HD2 ASN 12 1HD2 ASN 12 -7.119 -10.906 -1.106 552 2HD2 ASN 12 2HD2 ASN 12 -8.567 -11.791 -1.113 553 H ARG 13 H ARG 13 -7.352 -6.194 2.129 554 HA ARG 13 HA ARG 13 -10.040 -6.229 3.383 555 1HB ARG 13 1HB ARG 13 -7.259 -5.512 4.116 556 2HB ARG 13 2HB ARG 13 -8.531 -4.568 4.891 557 1HG ARG 13 1HG ARG 13 -8.847 -7.540 4.786 558 2HG ARG 13 2HG ARG 13 -7.701 -6.865 5.945 559 1HD ARG 13 1HD ARG 13 -9.448 -5.477 6.941 560 2HD ARG 13 2HD ARG 13 -10.610 -6.014 5.712 561 HE ARG 13 HE ARG 13 -10.260 -8.351 6.614 562 1HH1 ARG 13 1HH1 ARG 13 -11.390 -6.169 8.611 563 2HH1 ARG 13 2HH1 ARG 13 -10.640 -6.719 10.070 564 1HH2 ARG 13 1HH2 ARG 13 -8.423 -8.826 8.444 565 2HH2 ARG 13 2HH2 ARG 13 -8.962 -8.225 9.976 566 H TRP 14 H TRP 14 -8.615 -4.553 0.888 567 HA TRP 14 HA TRP 14 -9.467 -1.841 1.580 568 1HB TRP 14 1HB TRP 14 -8.356 -3.277 -0.828 569 2HB TRP 14 2HB TRP 14 -8.814 -1.581 -0.885 570 HD1 TRP 14 HD1 TRP 14 -7.184 -3.187 2.206 571 HE1 TRP 14 HE1 TRP 14 -4.885 -2.071 2.577 572 HE3 TRP 14 HE3 TRP 14 -6.965 -0.325 -1.978 573 HZ2 TRP 14 HZ2 TRP 14 -3.157 -0.181 1.240 574 HZ3 TRP 14 HZ3 TRP 14 -4.986 1.128 -2.441 575 HH2 TRP 14 HH2 TRP 14 -3.089 1.205 -0.831 576 HA PRO 15 HA PRO 15 -13.590 -2.241 0.080 577 1HB PRO 15 1HB PRO 15 -14.050 0.283 -0.857 578 2HB PRO 15 2HB PRO 15 -14.010 -0.125 0.868 579 1HG PRO 15 1HG PRO 15 -11.920 1.123 -0.832 580 2HG PRO 15 2HG PRO 15 -12.370 1.487 0.838 581 1HD PRO 15 1HD PRO 15 -10.180 0.014 0.177 582 2HD PRO 15 2HD PRO 15 -11.080 -0.205 1.697 583 H ARG 16 H ARG 16 -14.870 -2.156 -1.888 584 HA ARG 16 HA ARG 16 -13.530 -3.091 -4.215 585 1HB ARG 16 1HB ARG 16 -16.110 -2.847 -3.148 586 2HB ARG 16 2HB ARG 16 -16.160 -1.909 -4.636 587 1HG ARG 16 1HG ARG 16 -15.040 -3.873 -5.762 588 2HG ARG 16 2HG ARG 16 -15.350 -4.781 -4.286 589 1HD ARG 16 1HD ARG 16 -17.690 -4.706 -4.588 590 2HD ARG 16 2HD ARG 16 -17.590 -3.320 -5.693 591 HE ARG 16 HE ARG 16 -16.150 -5.668 -6.661 592 1HH1 ARG 16 1HH1 ARG 16 -19.250 -5.975 -6.013 593 2HH1 ARG 16 2HH1 ARG 16 -19.870 -5.851 -7.627 594 1HH2 ARG 16 1HH2 ARG 16 -16.890 -4.665 -8.956 595 2HH2 ARG 16 2HH2 ARG 16 -18.530 -5.111 -9.293 596 H GLU 17 H GLU 17 -14.890 0.052 -3.370 597 HA GLU 17 HA GLU 17 -14.590 1.353 -5.879 598 1HB GLU 17 1HB GLU 17 -15.120 1.987 -3.081 599 2HB GLU 17 2HB GLU 17 -14.220 3.274 -3.884 600 1HG GLU 17 1HG GLU 17 -16.190 2.442 -5.730 601 2HG GLU 17 2HG GLU 17 -17.010 2.562 -4.172 602 H VAL 18 H VAL 18 -12.390 1.502 -3.039 603 HA VAL 18 HA VAL 18 -10.360 3.036 -4.308 604 HB VAL 18 HB VAL 18 -10.280 0.976 -2.079 605 1HG1 VAL 18 1HG1 VAL 18 -8.222 2.357 -1.408 606 2HG1 VAL 18 2HG1 VAL 18 -8.232 2.962 -3.064 607 3HG1 VAL 18 3HG1 VAL 18 -8.023 1.238 -2.755 608 1HG2 VAL 18 1HG2 VAL 18 -10.430 2.943 -0.629 609 2HG2 VAL 18 2HG2 VAL 18 -11.780 2.949 -1.763 610 3HG2 VAL 18 3HG2 VAL 18 -10.400 4.011 -2.032 611 H LEU 19 H LEU 19 -10.690 -0.515 -4.019 612 HA LEU 19 HA LEU 19 -8.260 -1.215 -5.313 613 1HB LEU 19 1HB LEU 19 -10.950 -2.551 -4.988 614 2HB LEU 19 2HB LEU 19 -9.566 -3.380 -5.693 615 HG LEU 19 HG LEU 19 -9.616 -2.098 -2.945 616 1HD1 LEU 19 1HD1 LEU 19 -10.220 -4.105 -2.075 617 2HD1 LEU 19 2HD1 LEU 19 -9.217 -5.004 -3.206 618 3HD1 LEU 19 3HD1 LEU 19 -10.810 -4.455 -3.698 619 1HD2 LEU 19 1HD2 LEU 19 -7.372 -2.267 -3.041 620 2HD2 LEU 19 2HD2 LEU 19 -7.479 -2.891 -4.688 621 3HD2 LEU 19 3HD2 LEU 19 -7.521 -4.003 -3.318 622 H ASP 20 H ASP 20 -11.410 -0.322 -6.614 623 HA ASP 20 HA ASP 20 -10.910 -1.251 -9.313 624 1HB ASP 20 1HB ASP 20 -13.110 -0.685 -8.040 625 2HB ASP 20 2HB ASP 20 -12.770 0.982 -8.510 626 H LEU 21 H LEU 21 -10.060 1.615 -7.514 627 HA LEU 21 HA LEU 21 -9.483 3.216 -9.919 628 1HB LEU 21 1HB LEU 21 -10.390 3.968 -7.621 629 2HB LEU 21 2HB LEU 21 -8.739 3.779 -7.045 630 HG LEU 21 HG LEU 21 -8.356 5.209 -9.355 631 1HD1 LEU 21 1HD1 LEU 21 -10.150 6.453 -9.907 632 2HD1 LEU 21 2HD1 LEU 21 -10.440 6.895 -8.223 633 3HD1 LEU 21 3HD1 LEU 21 -11.100 5.390 -8.867 634 1HD2 LEU 21 1HD2 LEU 21 -7.331 5.663 -7.180 635 2HD2 LEU 21 2HD2 LEU 21 -8.875 6.233 -6.548 636 3HD2 LEU 21 3HD2 LEU 21 -8.051 7.142 -7.816 637 H VAL 22 H VAL 22 -7.703 1.450 -7.393 638 HA VAL 22 HA VAL 22 -5.069 2.278 -7.994 639 HB VAL 22 HB VAL 22 -6.039 -0.481 -7.178 640 1HG1 VAL 22 1HG1 VAL 22 -3.490 1.004 -6.486 641 2HG1 VAL 22 2HG1 VAL 22 -3.613 -0.198 -7.771 642 3HG1 VAL 22 3HG1 VAL 22 -3.883 -0.670 -6.094 643 1HG2 VAL 22 1HG2 VAL 22 -5.273 0.982 -4.905 644 2HG2 VAL 22 2HG2 VAL 22 -6.921 0.541 -5.359 645 3HG2 VAL 22 3HG2 VAL 22 -6.257 2.102 -5.849 646 H ARG 23 H ARG 23 -6.956 -0.432 -9.383 647 HA ARG 23 HA ARG 23 -4.886 -1.373 -11.132 648 1HB ARG 23 1HB ARG 23 -6.841 -2.491 -12.256 649 2HB ARG 23 2HB ARG 23 -6.808 -2.721 -10.509 650 1HG ARG 23 1HG ARG 23 -8.569 -1.206 -10.149 651 2HG ARG 23 2HG ARG 23 -8.346 -0.428 -11.715 652 1HD ARG 23 1HD ARG 23 -10.360 -1.907 -11.689 653 2HD ARG 23 2HD ARG 23 -9.147 -2.476 -12.852 654 HE ARG 23 HE ARG 23 -8.738 -3.598 -10.200 655 1HH1 ARG 23 1HH1 ARG 23 -8.413 -4.865 -13.003 656 2HH1 ARG 23 2HH1 ARG 23 -9.620 -6.105 -12.925 657 1HH2 ARG 23 1HH2 ARG 23 -11.200 -4.758 -10.151 658 2HH2 ARG 23 2HH2 ARG 23 -11.200 -6.044 -11.313 659 H LYS 24 H LYS 24 -7.286 1.201 -11.466 660 HA LYS 24 HA LYS 24 -6.808 1.539 -14.346 661 1HB LYS 24 1HB LYS 24 -8.862 2.050 -12.655 662 2HB LYS 24 2HB LYS 24 -8.097 3.639 -12.681 663 1HG LYS 24 1HG LYS 24 -8.113 2.752 -15.358 664 2HG LYS 24 2HG LYS 24 -9.711 2.368 -14.717 665 1HD LYS 24 1HD LYS 24 -8.936 4.978 -13.790 666 2HD LYS 24 2HD LYS 24 -8.739 4.908 -15.540 667 1HE LYS 24 1HE LYS 24 -11.250 3.944 -14.151 668 2HE LYS 24 2HE LYS 24 -11.060 5.598 -14.765 669 1HZ LYS 24 1HZ LYS 24 -12.030 4.033 -16.415 670 2HZ LYS 24 2HZ LYS 24 -10.570 3.156 -16.386 671 3HZ LYS 24 3HZ LYS 24 -10.590 4.764 -16.935 672 H VAL 25 H VAL 25 -5.216 2.503 -11.482 673 HA VAL 25 HA VAL 25 -4.100 4.977 -12.703 674 HB VAL 25 HB VAL 25 -4.018 3.704 -9.950 675 1HG1 VAL 25 1HG1 VAL 25 -2.902 5.703 -9.166 676 2HG1 VAL 25 2HG1 VAL 25 -2.978 6.427 -10.773 677 3HG1 VAL 25 3HG1 VAL 25 -1.949 5.024 -10.486 678 1HG2 VAL 25 1HG2 VAL 25 -5.642 5.274 -9.334 679 2HG2 VAL 25 2HG2 VAL 25 -6.138 4.848 -10.971 680 3HG2 VAL 25 3HG2 VAL 25 -5.254 6.347 -10.680 681 H ALA 26 H ALA 26 -3.210 1.704 -11.765 682 HA ALA 26 HA ALA 26 -0.333 2.124 -11.958 683 1HB ALA 26 1HB ALA 26 -1.083 -0.596 -12.353 684 2HB ALA 26 2HB ALA 26 -2.233 0.099 -11.211 685 3HB ALA 26 3HB ALA 26 -0.504 0.154 -10.866 686 H GLU 27 H GLU 27 -2.922 1.172 -14.153 687 HA GLU 27 HA GLU 27 -1.097 0.324 -16.280 688 1HB GLU 27 1HB GLU 27 -3.225 0.075 -17.517 689 2HB GLU 27 2HB GLU 27 -3.343 -0.647 -15.913 690 1HG GLU 27 1HG GLU 27 -4.661 1.115 -15.079 691 2HG GLU 27 2HG GLU 27 -4.173 2.215 -16.368 692 H GLU 28 H GLU 28 -2.276 3.341 -15.130 693 HA GLU 28 HA GLU 28 -2.221 4.676 -17.761 694 1HB GLU 28 1HB GLU 28 -2.686 5.483 -14.886 695 2HB GLU 28 2HB GLU 28 -2.605 6.680 -16.180 696 1HG GLU 28 1HG GLU 28 -4.469 4.289 -16.200 697 2HG GLU 28 2HG GLU 28 -4.943 5.906 -15.675 698 H ASN 29 H ASN 29 -0.397 5.021 -14.685 699 HA ASN 29 HA ASN 29 1.582 6.808 -15.686 700 1HB ASN 29 1HB ASN 29 1.387 4.815 -13.433 701 2HB ASN 29 2HB ASN 29 2.871 5.734 -13.685 702 1HD2 ASN 29 1HD2 ASN 29 1.069 6.039 -11.376 703 2HD2 ASN 29 2HD2 ASN 29 0.481 7.631 -11.422 704 H GLY 30 H GLY 30 1.210 3.357 -16.085 705 1HA GLY 30 1HA GLY 30 2.401 2.138 -17.806 706 2HA GLY 30 2HA GLY 30 3.694 3.335 -17.717 707 H ARG 31 H ARG 31 2.184 1.714 -14.961 708 HA ARG 31 HA ARG 31 4.671 0.113 -14.534 709 1HB ARG 31 1HB ARG 31 3.330 1.860 -12.447 710 2HB ARG 31 2HB ARG 31 4.846 0.978 -12.272 711 1HG ARG 31 1HG ARG 31 5.877 2.370 -14.017 712 2HG ARG 31 2HG ARG 31 4.357 3.241 -14.229 713 1HD ARG 31 1HD ARG 31 4.548 3.719 -11.663 714 2HD ARG 31 2HD ARG 31 6.261 3.320 -11.895 715 HE ARG 31 HE ARG 31 4.904 5.679 -12.961 716 1HH1 ARG 31 1HH1 ARG 31 7.799 5.442 -12.033 717 2HH1 ARG 31 2HH1 ARG 31 8.646 5.604 -13.535 718 1HH2 ARG 31 1HH2 ARG 31 5.841 5.009 -15.483 719 2HH2 ARG 31 2HH2 ARG 31 7.536 5.359 -15.488 720 H SER 32 H SER 32 3.848 -0.664 -11.890 721 HA SER 32 HA SER 32 1.451 -2.337 -12.541 722 1HB SER 32 1HB SER 32 2.614 -3.731 -10.619 723 2HB SER 32 2HB SER 32 3.260 -3.794 -12.255 724 HG SER 32 HG SER 32 4.868 -3.372 -10.653 725 H VAL 33 H VAL 33 0.261 -2.984 -10.414 726 HA VAL 33 HA VAL 33 -0.548 -0.568 -9.052 727 HB VAL 33 HB VAL 33 -1.106 -3.527 -8.706 728 1HG1 VAL 33 1HG1 VAL 33 -1.919 -1.181 -7.122 729 2HG1 VAL 33 2HG1 VAL 33 -1.954 -2.892 -6.700 730 3HG1 VAL 33 3HG1 VAL 33 -3.258 -2.192 -7.660 731 1HG2 VAL 33 1HG2 VAL 33 -2.903 -3.184 -10.143 732 2HG2 VAL 33 2HG2 VAL 33 -1.732 -2.045 -10.811 733 3HG2 VAL 33 3HG2 VAL 33 -3.020 -1.468 -9.752 734 H ASN 34 H ASN 34 1.803 -3.072 -8.391 735 HA ASN 34 HA ASN 34 1.997 -2.671 -5.519 736 1HB ASN 34 1HB ASN 34 2.844 -4.565 -7.161 737 2HB ASN 34 2HB ASN 34 4.270 -3.536 -7.301 738 1HD2 ASN 34 1HD2 ASN 34 4.919 -5.855 -6.146 739 2HD2 ASN 34 2HD2 ASN 34 5.028 -5.741 -4.455 740 H SER 35 H SER 35 3.360 -1.113 -8.363 741 HA SER 35 HA SER 35 5.250 0.504 -6.771 742 1HB SER 35 1HB SER 35 4.817 -0.298 -9.519 743 2HB SER 35 2HB SER 35 4.991 1.452 -9.427 744 HG SER 35 HG SER 35 7.015 1.204 -8.908 745 H GLU 36 H GLU 36 2.073 0.779 -8.279 746 HA GLU 36 HA GLU 36 1.808 3.629 -8.227 747 1HB GLU 36 1HB GLU 36 0.413 1.813 -9.382 748 2HB GLU 36 2HB GLU 36 -0.350 1.542 -7.814 749 1HG GLU 36 1HG GLU 36 -0.515 4.249 -7.995 750 2HG GLU 36 2HG GLU 36 -0.655 3.798 -9.693 751 H ILE 37 H ILE 37 0.453 1.183 -5.982 752 HA ILE 37 HA ILE 37 -0.345 3.014 -3.945 753 HB ILE 37 HB ILE 37 0.513 0.100 -3.910 754 1HG1 ILE 37 1HG1 ILE 37 -1.441 0.780 -5.370 755 2HG1 ILE 37 2HG1 ILE 37 -1.838 -0.395 -4.117 756 1HG2 ILE 37 1HG2 ILE 37 0.332 0.169 -1.670 757 2HG2 ILE 37 2HG2 ILE 37 -1.365 0.626 -1.858 758 3HG2 ILE 37 3HG2 ILE 37 -0.123 1.873 -1.725 759 1HD1 ILE 37 1HD1 ILE 37 -2.115 2.481 -3.391 760 2HD1 ILE 37 2HD1 ILE 37 -3.103 1.101 -2.920 761 3HD1 ILE 37 3HD1 ILE 37 -3.305 1.827 -4.516 762 H TYR 38 H TYR 38 2.773 1.715 -4.827 763 HA TYR 38 HA TYR 38 4.107 2.158 -2.297 764 1HB TYR 38 1HB TYR 38 4.933 0.557 -3.893 765 2HB TYR 38 2HB TYR 38 4.951 1.759 -5.181 766 HD1 TYR 38 HD1 TYR 38 7.114 2.311 -5.806 767 HD2 TYR 38 HD2 TYR 38 6.210 1.701 -1.637 768 HE1 TYR 38 HE1 TYR 38 9.459 2.930 -5.213 769 HE2 TYR 38 HE2 TYR 38 8.551 2.318 -1.032 770 HH TYR 38 HH TYR 38 10.621 3.893 -3.093 771 H GLN 39 H GLN 39 3.540 4.092 -5.216 772 HA GLN 39 HA GLN 39 5.360 6.244 -4.445 773 1HB GLN 39 1HB GLN 39 4.231 5.385 -6.748 774 2HB GLN 39 2HB GLN 39 3.091 6.666 -6.333 775 1HG GLN 39 1HG GLN 39 4.569 8.106 -7.251 776 2HG GLN 39 2HG GLN 39 5.586 7.808 -5.841 777 1HE2 GLN 39 1HE2 GLN 39 7.668 7.202 -6.424 778 2HE2 GLN 39 2HE2 GLN 39 8.076 6.305 -7.805 779 H ARG 40 H ARG 40 1.815 5.800 -4.456 780 HA ARG 40 HA ARG 40 1.103 8.336 -3.359 781 1HB ARG 40 1HB ARG 40 -0.232 5.628 -3.001 782 2HB ARG 40 2HB ARG 40 -1.019 7.202 -2.910 783 1HG ARG 40 1HG ARG 40 0.033 7.464 -5.348 784 2HG ARG 40 2HG ARG 40 -0.052 5.702 -5.306 785 1HD ARG 40 1HD ARG 40 -2.414 5.712 -5.018 786 2HD ARG 40 2HD ARG 40 -2.430 7.432 -4.577 787 HE ARG 40 HE ARG 40 -2.187 6.360 -7.306 788 1HH1 ARG 40 1HH1 ARG 40 -3.560 8.888 -5.951 789 2HH1 ARG 40 2HH1 ARG 40 -2.738 10.136 -6.825 790 1HH2 ARG 40 1HH2 ARG 40 -0.307 8.011 -8.093 791 2HH2 ARG 40 2HH2 ARG 40 -0.894 9.640 -8.038 792 H VAL 41 H VAL 41 2.368 5.419 -1.906 793 HA VAL 41 HA VAL 41 1.720 6.250 0.852 794 HB VAL 41 HB VAL 41 3.157 3.935 -0.477 795 1HG1 VAL 41 1HG1 VAL 41 3.307 2.862 1.683 796 2HG1 VAL 41 2HG1 VAL 41 2.491 4.215 2.466 797 3HG1 VAL 41 3HG1 VAL 41 4.110 4.428 1.797 798 1HG2 VAL 41 1HG2 VAL 41 1.192 2.706 -0.013 799 2HG2 VAL 41 2HG2 VAL 41 0.597 4.273 -0.562 800 3HG2 VAL 41 3HG2 VAL 41 0.624 3.893 1.160 801 H MET 42 H MET 42 4.457 6.229 -1.367 802 HA MET 42 HA MET 42 6.559 6.681 0.524 803 1HB MET 42 1HB MET 42 6.175 6.396 -2.252 804 2HB MET 42 2HB MET 42 6.947 7.968 -2.048 805 1HG MET 42 1HG MET 42 7.991 5.595 -0.537 806 2HG MET 42 2HG MET 42 8.437 5.814 -2.229 807 1HE MET 42 1HE MET 42 9.164 8.668 -2.960 808 2HE MET 42 2HE MET 42 9.971 7.109 -3.117 809 3HE MET 42 3HE MET 42 10.850 8.487 -2.459 810 H GLU 43 H GLU 43 5.233 9.101 -1.763 811 HA GLU 43 HA GLU 43 6.271 11.385 -0.463 812 1HB GLU 43 1HB GLU 43 4.537 12.564 -1.786 813 2HB GLU 43 2HB GLU 43 5.318 11.301 -2.738 814 1HG GLU 43 1HG GLU 43 3.436 9.758 -2.139 815 2HG GLU 43 2HG GLU 43 2.633 11.114 -1.345 816 H SER 44 H SER 44 3.576 9.365 0.431 817 HA SER 44 HA SER 44 2.002 11.199 1.938 818 1HB SER 44 1HB SER 44 1.478 8.821 1.271 819 2HB SER 44 2HB SER 44 2.591 8.279 2.523 820 HG SER 44 HG SER 44 0.409 10.028 2.998 821 H PHE 45 H PHE 45 4.595 8.994 3.087 822 HA PHE 45 HA PHE 45 4.683 9.933 5.771 823 1HB PHE 45 1HB PHE 45 6.691 8.687 3.878 824 2HB PHE 45 2HB PHE 45 7.052 8.969 5.580 825 HD1 PHE 45 HD1 PHE 45 6.430 6.359 3.626 826 HD2 PHE 45 HD2 PHE 45 4.500 8.376 6.919 827 HE1 PHE 45 HE1 PHE 45 5.272 4.244 4.243 828 HE2 PHE 45 HE2 PHE 45 3.343 6.258 7.536 829 HZ PHE 45 HZ PHE 45 3.735 4.190 6.200 830 H LYS 46 H LYS 46 6.136 11.167 2.804 831 HA LYS 46 HA LYS 46 8.029 12.967 4.020 832 1HB LYS 46 1HB LYS 46 8.150 12.170 1.707 833 2HB LYS 46 2HB LYS 46 6.608 12.941 1.338 834 1HG LYS 46 1HG LYS 46 7.529 15.132 1.648 835 2HG LYS 46 2HG LYS 46 9.014 14.477 2.340 836 1HD LYS 46 1HD LYS 46 8.284 13.517 -0.379 837 2HD LYS 46 2HD LYS 46 8.820 15.193 -0.254 838 1HE LYS 46 1HE LYS 46 10.974 14.575 0.135 839 2HE LYS 46 2HE LYS 46 10.486 13.332 1.303 840 1HZ LYS 46 1HZ LYS 46 11.454 12.561 -0.930 841 2HZ LYS 46 2HZ LYS 46 9.948 12.998 -1.582 842 3HZ LYS 46 3HZ LYS 46 10.041 11.808 -0.372 843 H LYS 47 H LYS 47 4.600 13.236 3.206 844 HA LYS 47 HA LYS 47 4.383 16.099 3.389 845 1HB LYS 47 1HB LYS 47 2.723 13.744 3.087 846 2HB LYS 47 2HB LYS 47 1.964 14.885 4.198 847 1HG LYS 47 1HG LYS 47 3.156 16.116 1.793 848 2HG LYS 47 2HG LYS 47 1.783 15.055 1.475 849 1HD LYS 47 1HD LYS 47 0.299 16.416 2.576 850 2HD LYS 47 2HD LYS 47 1.502 16.952 3.751 851 1HE LYS 47 1HE LYS 47 2.132 17.809 1.010 852 2HE LYS 47 2HE LYS 47 0.605 18.475 1.623 853 1HZ LYS 47 1HZ LYS 47 1.803 18.999 3.717 854 2HZ LYS 47 2HZ LYS 47 2.367 19.878 2.377 855 3HZ LYS 47 3HZ LYS 47 3.254 18.553 2.962 856 H GLU 48 H GLU 48 4.376 13.529 5.808 857 HA GLU 48 HA GLU 48 3.586 15.427 7.952 858 1HB GLU 48 1HB GLU 48 2.659 13.099 7.714 859 2HB GLU 48 2HB GLU 48 4.276 12.473 8.041 860 1HG GLU 48 1HG GLU 48 4.258 13.208 10.258 861 2HG GLU 48 2HG GLU 48 3.036 14.441 9.942 862 H GLY 49 H GLY 49 6.441 14.033 6.561 863 1HA GLY 49 1HA GLY 49 8.680 14.668 7.067 864 2HA GLY 49 2HA GLY 49 8.099 15.446 8.541 865 H ARG 50 H ARG 50 6.941 12.241 8.004 866 HA ARG 50 HA ARG 50 7.988 11.205 10.437 867 1HB ARG 50 1HB ARG 50 6.081 10.445 8.820 868 2HB ARG 50 2HB ARG 50 7.355 9.538 8.006 869 1HG ARG 50 1HG ARG 50 6.377 8.052 9.620 870 2HG ARG 50 2HG ARG 50 7.943 8.542 10.264 871 1HD ARG 50 1HD ARG 50 6.700 9.006 12.147 872 2HD ARG 50 2HD ARG 50 6.346 10.514 11.281 873 HE ARG 50 HE ARG 50 4.550 8.503 10.352 874 1HH1 ARG 50 1HH1 ARG 50 4.746 11.226 12.265 875 2HH1 ARG 50 2HH1 ARG 50 3.370 10.861 13.252 876 1HH2 ARG 50 1HH2 ARG 50 2.995 7.648 12.005 877 2HH2 ARG 50 2HH2 ARG 50 2.379 8.836 13.103 878 H ILE 51 H ILE 51 9.290 11.202 7.144 879 HA ILE 51 HA ILE 51 11.574 9.489 7.930 880 HB ILE 51 HB ILE 51 10.817 10.904 5.351 881 1HG1 ILE 51 1HG1 ILE 51 10.598 7.949 5.869 882 2HG1 ILE 51 2HG1 ILE 51 9.311 9.027 6.410 883 1HG2 ILE 51 1HG2 ILE 51 13.276 10.205 5.760 884 2HG2 ILE 51 2HG2 ILE 51 12.503 9.636 4.280 885 3HG2 ILE 51 3HG2 ILE 51 12.680 8.548 5.656 886 1HD1 ILE 51 1HD1 ILE 51 8.642 9.522 4.274 887 2HD1 ILE 51 2HD1 ILE 51 9.362 7.947 3.936 888 3HD1 ILE 51 3HD1 ILE 51 10.281 9.421 3.626 889 H GLY 52 H GLY 52 11.311 12.659 6.265 890 1HA GLY 52 1HA GLY 52 12.467 14.571 7.539 891 2HA GLY 52 2HA GLY 52 13.832 13.460 7.658 892 H ALA 53 H ALA 53 13.594 12.341 5.017 893 HA ALA 53 HA ALA 53 13.851 14.647 3.165 894 1HB ALA 53 1HB ALA 53 16.023 13.655 4.588 895 2HB ALA 53 2HB ALA 53 16.122 14.588 3.095 896 3HB ALA 53 3HB ALA 53 16.147 12.826 3.038 Start of MODEL 9 1 1H MET 1 1H MET 1 1.663 -19.054 7.743 2 2H MET 1 2H MET 1 2.720 -19.146 6.415 3 3H MET 1 3H MET 1 2.389 -20.534 7.339 4 HA MET 1 HA MET 1 1.192 -20.349 5.115 5 1HB MET 1 1HB MET 1 0.266 -21.000 7.857 6 2HB MET 1 2HB MET 1 -1.000 -20.917 6.632 7 1HG MET 1 1HG MET 1 1.550 -22.489 6.220 8 2HG MET 1 2HG MET 1 0.106 -23.200 6.940 9 1HE MET 1 1HE MET 1 1.148 -24.581 5.134 10 2HE MET 1 2HE MET 1 1.323 -24.089 3.451 11 3HE MET 1 3HE MET 1 -0.109 -24.984 3.955 12 H LYS 2 H LYS 2 -0.799 -18.876 7.682 13 HA LYS 2 HA LYS 2 -1.841 -16.934 5.670 14 1HB LYS 2 1HB LYS 2 -2.778 -18.216 8.213 15 2HB LYS 2 2HB LYS 2 -3.473 -16.659 7.760 16 1HG LYS 2 1HG LYS 2 -4.027 -17.609 5.516 17 2HG LYS 2 2HG LYS 2 -3.446 -19.178 6.075 18 1HD LYS 2 1HD LYS 2 -5.630 -19.472 6.678 19 2HD LYS 2 2HD LYS 2 -5.144 -18.545 8.097 20 1HE LYS 2 1HE LYS 2 -6.926 -17.225 7.448 21 2HE LYS 2 2HE LYS 2 -5.702 -16.509 6.380 22 1HZ LYS 2 1HZ LYS 2 -7.500 -18.780 5.713 23 2HZ LYS 2 2HZ LYS 2 -6.265 -18.189 4.708 24 3HZ LYS 2 3HZ LYS 2 -7.601 -17.209 5.082 25 H GLY 3 H GLY 3 0.740 -16.314 6.594 26 1HA GLY 3 1HA GLY 3 1.828 -14.351 7.342 27 2HA GLY 3 2HA GLY 3 0.258 -13.720 7.846 28 H MET 4 H MET 4 3.175 -14.716 9.040 29 HA MET 4 HA MET 4 1.947 -15.460 11.676 30 1HB MET 4 1HB MET 4 3.010 -17.358 10.502 31 2HB MET 4 2HB MET 4 4.512 -16.440 10.379 32 1HG MET 4 1HG MET 4 4.947 -16.584 12.666 33 2HG MET 4 2HG MET 4 3.250 -16.842 13.073 34 1HE MET 4 1HE MET 4 1.932 -18.544 12.530 35 2HE MET 4 2HE MET 4 2.546 -19.582 13.816 36 3HE MET 4 3HE MET 4 2.334 -20.232 12.192 37 H SER 5 H SER 5 5.111 -14.410 10.327 38 HA SER 5 HA SER 5 5.139 -12.134 12.232 39 1HB SER 5 1HB SER 5 6.199 -14.548 12.928 40 2HB SER 5 2HB SER 5 7.589 -13.784 12.167 41 HG SER 5 HG SER 5 6.811 -13.411 14.587 42 H LYS 6 H LYS 6 5.203 -12.708 9.242 43 HA LYS 6 HA LYS 6 7.693 -11.153 8.614 44 1HB LYS 6 1HB LYS 6 6.249 -13.348 7.099 45 2HB LYS 6 2HB LYS 6 7.577 -12.406 6.421 46 1HG LYS 6 1HG LYS 6 9.152 -13.452 7.702 47 2HG LYS 6 2HG LYS 6 8.076 -13.586 9.095 48 1HD LYS 6 1HD LYS 6 7.548 -15.701 8.546 49 2HD LYS 6 2HD LYS 6 7.062 -15.197 6.928 50 1HE LYS 6 1HE LYS 6 9.890 -15.078 6.945 51 2HE LYS 6 2HE LYS 6 9.450 -16.617 7.714 52 1HZ LYS 6 1HZ LYS 6 8.586 -15.583 5.076 53 2HZ LYS 6 2HZ LYS 6 7.766 -16.844 5.865 54 3HZ LYS 6 3HZ LYS 6 9.391 -17.037 5.413 55 H MET 7 H MET 7 7.456 -9.837 6.575 56 HA MET 7 HA MET 7 5.027 -8.244 6.637 57 1HB MET 7 1HB MET 7 6.219 -7.005 4.865 58 2HB MET 7 2HB MET 7 7.322 -7.400 6.181 59 1HG MET 7 1HG MET 7 7.541 -9.620 4.572 60 2HG MET 7 2HG MET 7 7.324 -8.332 3.389 61 1HE MET 7 1HE MET 7 9.745 -7.971 2.283 62 2HE MET 7 2HE MET 7 10.406 -6.553 3.095 63 3HE MET 7 3HE MET 7 8.671 -6.665 2.802 64 HA PRO 8 HA PRO 8 2.665 -10.265 3.523 65 1HB PRO 8 1HB PRO 8 1.642 -8.180 2.074 66 2HB PRO 8 2HB PRO 8 1.078 -8.593 3.704 67 1HG PRO 8 1HG PRO 8 2.980 -6.471 2.842 68 2HG PRO 8 2HG PRO 8 1.704 -6.409 4.068 69 1HD PRO 8 1HD PRO 8 4.327 -6.705 4.686 70 2HD PRO 8 2HD PRO 8 3.019 -7.389 5.677 71 H GLN 9 H GLN 9 2.908 -11.049 1.398 72 HA GLN 9 HA GLN 9 5.406 -10.634 0.062 73 1HB GLN 9 1HB GLN 9 2.750 -11.831 -0.783 74 2HB GLN 9 2HB GLN 9 4.237 -11.993 -1.719 75 1HG GLN 9 1HG GLN 9 5.181 -12.784 0.662 76 2HG GLN 9 2HG GLN 9 3.492 -13.239 0.886 77 1HE2 GLN 9 1HE2 GLN 9 6.393 -13.883 -1.048 78 2HE2 GLN 9 2HE2 GLN 9 5.804 -15.298 -1.779 79 H PHE 10 H PHE 10 2.490 -8.789 -0.004 80 HA PHE 10 HA PHE 10 2.674 -7.776 -2.710 81 1HB PHE 10 1HB PHE 10 0.616 -7.747 -1.388 82 2HB PHE 10 2HB PHE 10 1.384 -6.732 -0.167 83 HD1 PHE 10 HD1 PHE 10 1.389 -4.373 -0.375 84 HD2 PHE 10 HD2 PHE 10 0.447 -6.829 -3.798 85 HE1 PHE 10 HE1 PHE 10 0.760 -2.335 -1.664 86 HE2 PHE 10 HE2 PHE 10 -0.182 -4.791 -5.086 87 HZ PHE 10 HZ PHE 10 -0.026 -2.543 -4.020 88 H LEU 11 H LEU 11 4.138 -6.874 0.366 89 HA LEU 11 HA LEU 11 5.192 -4.339 -0.762 90 1HB LEU 11 1HB LEU 11 5.372 -5.690 1.951 91 2HB LEU 11 2HB LEU 11 6.012 -4.086 1.594 92 HG LEU 11 HG LEU 11 3.120 -4.816 1.101 93 1HD1 LEU 11 1HD1 LEU 11 4.115 -4.928 3.579 94 2HD1 LEU 11 2HD1 LEU 11 2.532 -4.223 3.251 95 3HD1 LEU 11 3HD1 LEU 11 3.936 -3.177 3.460 96 1HD2 LEU 11 1HD2 LEU 11 4.285 -2.794 0.006 97 2HD2 LEU 11 2HD2 LEU 11 4.364 -2.115 1.631 98 3HD2 LEU 11 3HD2 LEU 11 2.799 -2.468 0.901 99 H ASN 12 H ASN 12 6.095 -7.018 -1.777 100 HA ASN 12 HA ASN 12 8.743 -7.564 -0.741 101 1HB ASN 12 1HB ASN 12 6.945 -8.876 -2.252 102 2HB ASN 12 2HB ASN 12 7.959 -8.229 -3.543 103 1HD2 ASN 12 1HD2 ASN 12 7.797 -10.607 -0.996 104 2HD2 ASN 12 2HD2 ASN 12 9.345 -11.264 -1.237 105 H ARG 13 H ARG 13 7.449 -5.309 -3.083 106 HA ARG 13 HA ARG 13 10.090 -4.763 -4.282 107 1HB ARG 13 1HB ARG 13 7.435 -4.625 -5.086 108 2HB ARG 13 2HB ARG 13 7.876 -2.933 -4.853 109 1HG ARG 13 1HG ARG 13 9.863 -3.257 -6.288 110 2HG ARG 13 2HG ARG 13 9.400 -4.940 -6.538 111 1HD ARG 13 1HD ARG 13 7.759 -4.389 -8.036 112 2HD ARG 13 2HD ARG 13 7.268 -2.957 -7.108 113 HE ARG 13 HE ARG 13 9.486 -1.941 -7.973 114 1HH1 ARG 13 1HH1 ARG 13 7.000 -3.247 -9.774 115 2HH1 ARG 13 2HH1 ARG 13 7.868 -3.310 -11.271 116 1HH2 ARG 13 1HH2 ARG 13 10.922 -2.504 -9.840 117 2HH2 ARG 13 2HH2 ARG 13 10.090 -2.891 -11.307 118 H TRP 14 H TRP 14 8.109 -3.556 -1.710 119 HA TRP 14 HA TRP 14 9.089 -0.852 -1.608 120 1HB TRP 14 1HB TRP 14 7.837 -2.776 0.358 121 2HB TRP 14 2HB TRP 14 8.190 -1.103 0.758 122 HD1 TRP 14 HD1 TRP 14 6.874 -2.213 -2.690 123 HE1 TRP 14 HE1 TRP 14 4.558 -1.148 -3.048 124 HE3 TRP 14 HE3 TRP 14 6.214 -0.095 1.881 125 HZ2 TRP 14 HZ2 TRP 14 2.646 0.419 -1.568 126 HZ3 TRP 14 HZ3 TRP 14 4.133 1.188 2.412 127 HH2 TRP 14 HH2 TRP 14 2.353 1.449 0.684 128 HA PRO 15 HA PRO 15 13.145 -1.934 -0.124 129 1HB PRO 15 1HB PRO 15 13.934 0.562 0.678 130 2HB PRO 15 2HB PRO 15 13.919 0.037 -1.016 131 1HG PRO 15 1HG PRO 15 11.937 1.691 0.471 132 2HG PRO 15 2HG PRO 15 12.538 1.874 -1.184 133 1HD PRO 15 1HD PRO 15 10.122 0.778 -0.614 134 2HD PRO 15 2HD PRO 15 11.088 0.300 -2.028 135 H ARG 16 H ARG 16 14.384 -1.739 1.955 136 HA ARG 16 HA ARG 16 12.764 -2.361 4.214 137 1HB ARG 16 1HB ARG 16 14.957 -2.529 5.240 138 2HB ARG 16 2HB ARG 16 15.048 -3.179 3.623 139 1HG ARG 16 1HG ARG 16 15.956 -1.016 2.827 140 2HG ARG 16 2HG ARG 16 15.898 -0.396 4.476 141 1HD ARG 16 1HD ARG 16 17.263 -2.941 4.467 142 2HD ARG 16 2HD ARG 16 18.016 -1.850 3.286 143 HE ARG 16 HE ARG 16 17.434 -0.382 5.673 144 1HH1 ARG 16 1HH1 ARG 16 19.927 -1.626 3.861 145 2HH1 ARG 16 2HH1 ARG 16 21.047 -1.800 5.172 146 1HH2 ARG 16 1HH2 ARG 16 18.689 -1.127 7.625 147 2HH2 ARG 16 2HH2 ARG 16 20.345 -1.518 7.304 148 H GLU 17 H GLU 17 14.168 0.636 3.027 149 HA GLU 17 HA GLU 17 14.142 2.124 5.477 150 1HB GLU 17 1HB GLU 17 14.405 2.558 2.572 151 2HB GLU 17 2HB GLU 17 13.770 3.948 3.453 152 1HG GLU 17 1HG GLU 17 15.684 4.123 4.809 153 2HG GLU 17 2HG GLU 17 16.190 2.468 4.466 154 H VAL 18 H VAL 18 11.778 2.057 2.779 155 HA VAL 18 HA VAL 18 9.849 3.740 4.098 156 HB VAL 18 HB VAL 18 9.543 1.644 1.916 157 1HG1 VAL 18 1HG1 VAL 18 7.530 2.785 1.307 158 2HG1 VAL 18 2HG1 VAL 18 7.874 4.122 2.406 159 3HG1 VAL 18 3HG1 VAL 18 7.435 2.540 3.051 160 1HG2 VAL 18 1HG2 VAL 18 11.268 3.296 1.365 161 2HG2 VAL 18 2HG2 VAL 18 10.180 4.613 1.804 162 3HG2 VAL 18 3HG2 VAL 18 9.825 3.607 0.400 163 H LEU 19 H LEU 19 10.228 0.204 3.896 164 HA LEU 19 HA LEU 19 7.775 -0.483 5.205 165 1HB LEU 19 1HB LEU 19 10.408 -1.764 4.580 166 2HB LEU 19 2HB LEU 19 9.320 -2.595 5.694 167 HG LEU 19 HG LEU 19 8.444 -1.574 2.982 168 1HD1 LEU 19 1HD1 LEU 19 10.040 -3.235 2.445 169 2HD1 LEU 19 2HD1 LEU 19 8.506 -4.107 2.452 170 3HD1 LEU 19 3HD1 LEU 19 9.599 -4.231 3.833 171 1HD2 LEU 19 1HD2 LEU 19 7.227 -3.158 5.215 172 2HD2 LEU 19 2HD2 LEU 19 6.745 -3.538 3.562 173 3HD2 LEU 19 3HD2 LEU 19 6.499 -1.913 4.202 174 H ASP 20 H ASP 20 10.952 0.443 6.446 175 HA ASP 20 HA ASP 20 10.581 -0.467 9.153 176 1HB ASP 20 1HB ASP 20 12.584 0.649 7.646 177 2HB ASP 20 2HB ASP 20 12.140 2.003 8.681 178 H LEU 21 H LEU 21 9.495 2.349 7.378 179 HA LEU 21 HA LEU 21 8.673 3.838 9.780 180 1HB LEU 21 1HB LEU 21 9.520 4.946 7.757 181 2HB LEU 21 2HB LEU 21 8.244 4.205 6.796 182 HG LEU 21 HG LEU 21 6.537 5.423 8.052 183 1HD1 LEU 21 1HD1 LEU 21 8.904 6.151 9.741 184 2HD1 LEU 21 2HD1 LEU 21 7.274 5.694 10.236 185 3HD1 LEU 21 3HD1 LEU 21 7.581 7.309 9.594 186 1HD2 LEU 21 1HD2 LEU 21 7.442 6.584 6.135 187 2HD2 LEU 21 2HD2 LEU 21 8.842 7.121 7.061 188 3HD2 LEU 21 3HD2 LEU 21 7.244 7.767 7.429 189 H VAL 22 H VAL 22 7.141 1.968 7.172 190 HA VAL 22 HA VAL 22 4.415 2.461 7.802 191 HB VAL 22 HB VAL 22 5.735 -0.056 6.736 192 1HG1 VAL 22 1HG1 VAL 22 3.263 -0.096 7.373 193 2HG1 VAL 22 2HG1 VAL 22 3.633 -0.520 5.702 194 3HG1 VAL 22 3HG1 VAL 22 3.009 1.084 6.087 195 1HG2 VAL 22 1HG2 VAL 22 6.407 1.202 4.991 196 2HG2 VAL 22 2HG2 VAL 22 5.646 2.633 5.685 197 3HG2 VAL 22 3HG2 VAL 22 4.715 1.559 4.645 198 H ARG 23 H ARG 23 6.571 -0.180 8.902 199 HA ARG 23 HA ARG 23 4.661 -1.545 10.511 200 1HB ARG 23 1HB ARG 23 6.658 -2.589 11.485 201 2HB ARG 23 2HB ARG 23 6.869 -2.398 9.746 202 1HG ARG 23 1HG ARG 23 8.306 -0.512 10.028 203 2HG ARG 23 2HG ARG 23 7.875 -0.350 11.730 204 1HD ARG 23 1HD ARG 23 10.015 -1.417 11.737 205 2HD ARG 23 2HD ARG 23 8.855 -2.733 12.011 206 HE ARG 23 HE ARG 23 9.087 -2.493 9.223 207 1HH1 ARG 23 1HH1 ARG 23 11.893 -1.937 10.708 208 2HH1 ARG 23 2HH1 ARG 23 12.655 -3.452 10.363 209 1HH2 ARG 23 1HH2 ARG 23 9.733 -4.982 9.290 210 2HH2 ARG 23 2HH2 ARG 23 11.433 -5.177 9.558 211 H LYS 24 H LYS 24 6.607 1.320 11.178 212 HA LYS 24 HA LYS 24 6.009 1.259 14.062 213 1HB LYS 24 1HB LYS 24 7.790 2.584 12.192 214 2HB LYS 24 2HB LYS 24 7.037 3.762 13.267 215 1HG LYS 24 1HG LYS 24 7.749 1.528 14.869 216 2HG LYS 24 2HG LYS 24 9.144 1.894 13.856 217 1HD LYS 24 1HD LYS 24 9.483 3.944 14.822 218 2HD LYS 24 2HD LYS 24 7.762 4.219 15.088 219 1HE LYS 24 1HE LYS 24 7.735 2.854 17.046 220 2HE LYS 24 2HE LYS 24 9.323 2.157 16.668 221 1HZ LYS 24 1HZ LYS 24 9.685 3.873 18.249 222 2HZ LYS 24 2HZ LYS 24 8.713 4.971 17.390 223 3HZ LYS 24 3HZ LYS 24 10.208 4.476 16.753 224 H VAL 25 H VAL 25 4.625 2.577 11.160 225 HA VAL 25 HA VAL 25 3.061 4.647 12.563 226 HB VAL 25 HB VAL 25 3.130 3.587 9.718 227 1HG1 VAL 25 1HG1 VAL 25 0.970 4.746 10.523 228 2HG1 VAL 25 2HG1 VAL 25 1.746 5.401 9.083 229 3HG1 VAL 25 3HG1 VAL 25 1.947 6.210 10.637 230 1HG2 VAL 25 1HG2 VAL 25 4.085 6.303 10.468 231 2HG2 VAL 25 2HG2 VAL 25 4.732 5.171 9.281 232 3HG2 VAL 25 3HG2 VAL 25 5.083 4.947 10.994 233 H ALA 26 H ALA 26 2.686 1.333 11.508 234 HA ALA 26 HA ALA 26 -0.214 1.283 11.492 235 1HB ALA 26 1HB ALA 26 0.914 -1.269 12.063 236 2HB ALA 26 2HB ALA 26 2.039 -0.435 10.993 237 3HB ALA 26 3HB ALA 26 0.362 -0.666 10.501 238 H GLU 27 H GLU 27 2.305 0.698 13.906 239 HA GLU 27 HA GLU 27 0.420 -0.251 15.938 240 1HB GLU 27 1HB GLU 27 2.953 -0.776 15.508 241 2HB GLU 27 2HB GLU 27 3.232 0.715 16.407 242 1HG GLU 27 1HG GLU 27 1.351 -0.583 17.959 243 2HG GLU 27 2HG GLU 27 2.358 -1.909 17.378 244 H GLU 28 H GLU 28 1.341 2.818 14.740 245 HA GLU 28 HA GLU 28 1.068 4.246 17.303 246 1HB GLU 28 1HB GLU 28 1.837 4.770 14.492 247 2HB GLU 28 2HB GLU 28 1.062 6.123 15.317 248 1HG GLU 28 1HG GLU 28 3.248 4.600 16.704 249 2HG GLU 28 2HG GLU 28 3.665 5.822 15.503 250 H ASN 29 H ASN 29 -0.654 4.453 14.157 251 HA ASN 29 HA ASN 29 -2.874 5.950 15.094 252 1HB ASN 29 1HB ASN 29 -2.396 3.998 12.841 253 2HB ASN 29 2HB ASN 29 -3.952 4.808 13.031 254 1HD2 ASN 29 1HD2 ASN 29 -3.272 5.819 10.852 255 2HD2 ASN 29 2HD2 ASN 29 -2.303 7.212 10.905 256 H GLY 30 H GLY 30 -2.216 2.483 15.234 257 1HA GLY 30 1HA GLY 30 -3.283 1.145 16.996 258 2HA GLY 30 2HA GLY 30 -4.712 2.169 16.842 259 H ARG 31 H ARG 31 -2.921 0.898 14.091 260 HA ARG 31 HA ARG 31 -5.144 -1.039 13.556 261 1HB ARG 31 1HB ARG 31 -3.903 0.868 11.545 262 2HB ARG 31 2HB ARG 31 -5.292 -0.186 11.285 263 1HG ARG 31 1HG ARG 31 -6.445 1.085 13.170 264 2HG ARG 31 2HG ARG 31 -5.124 2.249 13.068 265 1HD ARG 31 1HD ARG 31 -5.649 2.508 10.605 266 2HD ARG 31 2HD ARG 31 -7.107 1.536 10.886 267 HE ARG 31 HE ARG 31 -6.569 4.210 12.082 268 1HH1 ARG 31 1HH1 ARG 31 -8.065 2.359 13.933 269 2HH1 ARG 31 2HH1 ARG 31 -9.710 2.710 13.528 270 1HH2 ARG 31 1HH2 ARG 31 -8.919 4.279 10.540 271 2HH2 ARG 31 2HH2 ARG 31 -10.190 3.795 11.605 272 H SER 32 H SER 32 -4.232 -1.964 11.117 273 HA SER 32 HA SER 32 -1.689 -3.309 11.871 274 1HB SER 32 1HB SER 32 -4.049 -4.266 10.963 275 2HB SER 32 2HB SER 32 -3.244 -3.993 9.421 276 HG SER 32 HG SER 32 -2.600 -5.733 11.517 277 H VAL 33 H VAL 33 -0.519 -3.864 9.520 278 HA VAL 33 HA VAL 33 0.390 -1.242 8.588 279 HB VAL 33 HB VAL 33 1.111 -4.127 8.016 280 1HG1 VAL 33 1HG1 VAL 33 1.928 -1.609 6.731 281 2HG1 VAL 33 2HG1 VAL 33 2.089 -3.269 6.158 282 3HG1 VAL 33 3HG1 VAL 33 3.272 -2.606 7.287 283 1HG2 VAL 33 1HG2 VAL 33 1.563 -3.303 10.294 284 2HG2 VAL 33 2HG2 VAL 33 2.428 -1.917 9.628 285 3HG2 VAL 33 3HG2 VAL 33 3.074 -3.547 9.414 286 H ASN 34 H ASN 34 -1.953 -3.579 7.609 287 HA ASN 34 HA ASN 34 -1.908 -2.883 4.748 288 1HB ASN 34 1HB ASN 34 -2.609 -5.101 5.783 289 2HB ASN 34 2HB ASN 34 -4.038 -4.276 6.406 290 1HD2 ASN 34 1HD2 ASN 34 -5.382 -5.690 4.987 291 2HD2 ASN 34 2HD2 ASN 34 -5.499 -5.353 3.328 292 H SER 35 H SER 35 -3.639 -1.971 7.684 293 HA SER 35 HA SER 35 -5.615 -0.307 6.319 294 1HB SER 35 1HB SER 35 -5.320 -1.475 8.797 295 2HB SER 35 2HB SER 35 -4.945 0.209 9.153 296 HG SER 35 HG SER 35 -7.240 -0.486 9.215 297 H GLU 36 H GLU 36 -2.522 0.206 8.030 298 HA GLU 36 HA GLU 36 -2.473 3.047 7.978 299 1HB GLU 36 1HB GLU 36 -0.971 1.384 9.177 300 2HB GLU 36 2HB GLU 36 -0.165 1.110 7.632 301 1HG GLU 36 1HG GLU 36 -0.285 3.894 7.894 302 2HG GLU 36 2HG GLU 36 0.149 3.305 9.498 303 H ILE 37 H ILE 37 -1.100 0.677 5.676 304 HA ILE 37 HA ILE 37 -0.220 2.586 3.725 305 HB ILE 37 HB ILE 37 -1.057 -0.329 3.575 306 1HG1 ILE 37 1HG1 ILE 37 0.822 0.224 5.123 307 2HG1 ILE 37 2HG1 ILE 37 1.340 -0.773 3.763 308 1HG2 ILE 37 1HG2 ILE 37 0.786 0.033 1.587 309 2HG2 ILE 37 2HG2 ILE 37 -0.096 1.560 1.516 310 3HG2 ILE 37 3HG2 ILE 37 -0.961 0.033 1.330 311 1HD1 ILE 37 1HD1 ILE 37 2.969 0.982 4.022 312 2HD1 ILE 37 2HD1 ILE 37 1.712 2.216 4.088 313 3HD1 ILE 37 3HD1 ILE 37 2.025 1.355 2.581 314 H TYR 38 H TYR 38 -3.352 1.198 4.452 315 HA TYR 38 HA TYR 38 -4.607 1.759 1.902 316 1HB TYR 38 1HB TYR 38 -5.391 0.049 3.460 317 2HB TYR 38 2HB TYR 38 -5.636 1.266 4.712 318 HD1 TYR 38 HD1 TYR 38 -7.875 1.746 5.077 319 HD2 TYR 38 HD2 TYR 38 -6.502 0.997 1.065 320 HE1 TYR 38 HE1 TYR 38 -10.170 2.176 4.214 321 HE2 TYR 38 HE2 TYR 38 -8.798 1.422 0.191 322 HH TYR 38 HH TYR 38 -11.300 2.770 2.186 323 H GLN 39 H GLN 39 -4.117 3.565 4.900 324 HA GLN 39 HA GLN 39 -6.020 5.680 4.227 325 1HB GLN 39 1HB GLN 39 -3.785 5.346 6.250 326 2HB GLN 39 2HB GLN 39 -4.831 6.764 6.198 327 1HG GLN 39 1HG GLN 39 -5.977 3.977 6.332 328 2HG GLN 39 2HG GLN 39 -5.514 4.852 7.792 329 1HE2 GLN 39 1HE2 GLN 39 -8.052 4.412 5.545 330 2HE2 GLN 39 2HE2 GLN 39 -8.994 5.754 5.988 331 H ARG 40 H ARG 40 -2.451 5.376 4.201 332 HA ARG 40 HA ARG 40 -1.867 7.997 3.239 333 1HB ARG 40 1HB ARG 40 -0.534 5.291 3.142 334 2HB ARG 40 2HB ARG 40 0.226 6.690 2.385 335 1HG ARG 40 1HG ARG 40 1.125 6.962 4.475 336 2HG ARG 40 2HG ARG 40 -0.414 7.767 4.782 337 1HD ARG 40 1HD ARG 40 -1.353 5.760 5.757 338 2HD ARG 40 2HD ARG 40 0.061 4.806 5.268 339 HE ARG 40 HE ARG 40 1.355 5.910 6.966 340 1HH1 ARG 40 1HH1 ARG 40 -1.561 5.653 8.147 341 2HH1 ARG 40 2HH1 ARG 40 -1.660 7.171 8.975 342 1HH2 ARG 40 1HH2 ARG 40 1.115 8.516 7.390 343 2HH2 ARG 40 2HH2 ARG 40 -0.146 8.792 8.546 344 H VAL 41 H VAL 41 -3.000 5.102 1.628 345 HA VAL 41 HA VAL 41 -2.433 6.117 -1.080 346 HB VAL 41 HB VAL 41 -3.712 3.685 0.182 347 1HG1 VAL 41 1HG1 VAL 41 -5.019 4.219 -1.861 348 2HG1 VAL 41 2HG1 VAL 41 -4.069 2.746 -2.053 349 3HG1 VAL 41 3HG1 VAL 41 -3.522 4.251 -2.793 350 1HG2 VAL 41 1HG2 VAL 41 -1.108 4.438 -0.744 351 2HG2 VAL 41 2HG2 VAL 41 -1.696 3.123 -1.757 352 3HG2 VAL 41 3HG2 VAL 41 -1.606 2.916 -0.010 353 H MET 42 H MET 42 -5.125 5.908 1.180 354 HA MET 42 HA MET 42 -7.225 6.567 -0.695 355 1HB MET 42 1HB MET 42 -6.854 5.908 2.062 356 2HB MET 42 2HB MET 42 -7.804 7.389 1.988 357 1HG MET 42 1HG MET 42 -9.353 6.305 0.391 358 2HG MET 42 2HG MET 42 -8.410 4.820 0.501 359 1HE MET 42 1HE MET 42 -11.100 6.771 3.626 360 2HE MET 42 2HE MET 42 -11.440 6.698 1.898 361 3HE MET 42 3HE MET 42 -10.030 7.592 2.479 362 H GLU 43 H GLU 43 -4.817 8.448 0.977 363 HA GLU 43 HA GLU 43 -6.297 10.983 0.777 364 1HB GLU 43 1HB GLU 43 -3.741 9.933 1.868 365 2HB GLU 43 2HB GLU 43 -3.738 11.635 1.403 366 1HG GLU 43 1HG GLU 43 -6.063 10.627 2.987 367 2HG GLU 43 2HG GLU 43 -4.532 10.866 3.831 368 H SER 44 H SER 44 -3.913 9.203 -1.095 369 HA SER 44 HA SER 44 -2.860 11.339 -2.674 370 1HB SER 44 1HB SER 44 -3.107 8.382 -2.777 371 2HB SER 44 2HB SER 44 -2.798 9.176 -4.318 372 HG SER 44 HG SER 44 -1.091 10.332 -3.090 373 H PHE 45 H PHE 45 -5.411 8.979 -3.585 374 HA PHE 45 HA PHE 45 -6.239 10.208 -5.982 375 1HB PHE 45 1HB PHE 45 -7.764 8.664 -3.862 376 2HB PHE 45 2HB PHE 45 -8.367 8.961 -5.492 377 HD1 PHE 45 HD1 PHE 45 -7.116 6.418 -3.659 378 HD2 PHE 45 HD2 PHE 45 -6.112 8.602 -7.245 379 HE1 PHE 45 HE1 PHE 45 -5.850 4.447 -4.506 380 HE2 PHE 45 HE2 PHE 45 -4.842 6.630 -8.090 381 HZ PHE 45 HZ PHE 45 -4.715 4.550 -6.722 382 H LYS 46 H LYS 46 -7.375 10.791 -2.645 383 HA LYS 46 HA LYS 46 -9.511 12.547 -3.119 384 1HB LYS 46 1HB LYS 46 -7.578 11.922 -0.999 385 2HB LYS 46 2HB LYS 46 -8.202 13.568 -0.897 386 1HG LYS 46 1HG LYS 46 -10.530 12.496 -1.233 387 2HG LYS 46 2HG LYS 46 -9.739 10.974 -0.828 388 1HD LYS 46 1HD LYS 46 -8.847 12.818 1.103 389 2HD LYS 46 2HD LYS 46 -10.570 13.113 0.936 390 1HE LYS 46 1HE LYS 46 -10.690 10.450 1.009 391 2HE LYS 46 2HE LYS 46 -9.165 10.651 1.887 392 1HZ LYS 46 1HZ LYS 46 -11.740 11.984 2.497 393 2HZ LYS 46 2HZ LYS 46 -10.270 12.356 3.258 394 3HZ LYS 46 3HZ LYS 46 -10.960 10.815 3.444 395 H LYS 47 H LYS 47 -6.029 13.232 -3.171 396 HA LYS 47 HA LYS 47 -6.041 16.045 -3.207 397 1HB LYS 47 1HB LYS 47 -4.122 14.349 -3.185 398 2HB LYS 47 2HB LYS 47 -4.301 14.274 -4.938 399 1HG LYS 47 1HG LYS 47 -3.638 16.498 -5.235 400 2HG LYS 47 2HG LYS 47 -4.035 16.940 -3.574 401 1HD LYS 47 1HD LYS 47 -2.023 16.239 -2.771 402 2HD LYS 47 2HD LYS 47 -1.974 14.838 -3.842 403 1HE LYS 47 1HE LYS 47 -1.351 16.304 -5.740 404 2HE LYS 47 2HE LYS 47 -1.382 17.709 -4.656 405 1HZ LYS 47 1HZ LYS 47 0.304 15.284 -4.323 406 2HZ LYS 47 2HZ LYS 47 0.233 16.583 -3.232 407 3HZ LYS 47 3HZ LYS 47 0.854 16.815 -4.796 408 H GLU 48 H GLU 48 -5.879 13.987 -6.149 409 HA GLU 48 HA GLU 48 -6.429 16.085 -7.997 410 1HB GLU 48 1HB GLU 48 -6.603 13.085 -7.954 411 2HB GLU 48 2HB GLU 48 -7.207 13.961 -9.361 412 1HG GLU 48 1HG GLU 48 -4.526 14.742 -8.314 413 2HG GLU 48 2HG GLU 48 -4.645 13.202 -9.167 414 H GLY 49 H GLY 49 -8.672 13.498 -6.922 415 1HA GLY 49 1HA GLY 49 -10.890 14.475 -6.032 416 2HA GLY 49 2HA GLY 49 -10.920 15.352 -7.561 417 H ARG 50 H ARG 50 -9.827 12.002 -7.162 418 HA ARG 50 HA ARG 50 -11.720 11.139 -9.240 419 1HB ARG 50 1HB ARG 50 -9.726 9.605 -7.538 420 2HB ARG 50 2HB ARG 50 -10.470 9.038 -9.033 421 1HG ARG 50 1HG ARG 50 -9.443 11.377 -9.909 422 2HG ARG 50 2HG ARG 50 -8.279 11.004 -8.639 423 1HD ARG 50 1HD ARG 50 -7.444 9.176 -9.759 424 2HD ARG 50 2HD ARG 50 -9.025 8.754 -10.447 425 HE ARG 50 HE ARG 50 -7.094 10.618 -11.621 426 1HH1 ARG 50 1HH1 ARG 50 -9.001 8.675 -13.033 427 2HH1 ARG 50 2HH1 ARG 50 -10.090 9.785 -13.792 428 1HH2 ARG 50 1HH2 ARG 50 -9.099 12.490 -11.863 429 2HH2 ARG 50 2HH2 ARG 50 -10.140 11.946 -13.128 430 H ILE 51 H ILE 51 -11.220 10.726 -5.759 431 HA ILE 51 HA ILE 51 -13.940 9.470 -5.579 432 HB ILE 51 HB ILE 51 -12.950 8.134 -3.703 433 1HG1 ILE 51 1HG1 ILE 51 -10.240 9.013 -4.657 434 2HG1 ILE 51 2HG1 ILE 51 -11.090 9.971 -3.443 435 1HG2 ILE 51 1HG2 ILE 51 -12.610 6.599 -5.312 436 2HG2 ILE 51 2HG2 ILE 51 -11.030 7.302 -5.640 437 3HG2 ILE 51 3HG2 ILE 51 -12.450 7.880 -6.512 438 1HD1 ILE 51 1HD1 ILE 51 -10.900 7.003 -3.068 439 2HD1 ILE 51 2HD1 ILE 51 -11.010 8.277 -1.853 440 3HD1 ILE 51 3HD1 ILE 51 -9.496 7.996 -2.702 441 H GLY 52 H GLY 52 -14.260 9.505 -2.856 442 1HA GLY 52 1HA GLY 52 -13.370 11.738 -1.397 443 2HA GLY 52 2HA GLY 52 -14.790 12.278 -2.297 444 H ALA 53 H ALA 53 -16.230 9.806 -2.219 445 HA ALA 53 HA ALA 53 -16.700 9.445 0.719 446 1HB ALA 53 1HB ALA 53 -19.030 9.826 0.387 447 2HB ALA 53 2HB ALA 53 -18.880 9.662 -1.363 448 3HB ALA 53 3HB ALA 53 -18.230 11.087 -0.554 449 1H MET 1 1H MET 1 -0.352 -18.804 -8.781 450 2H MET 1 2H MET 1 -1.415 -19.058 -7.480 451 3H MET 1 3H MET 1 -0.941 -20.363 -8.461 452 HA MET 1 HA MET 1 0.199 -20.157 -6.202 453 1HB MET 1 1HB MET 1 1.213 -20.633 -8.950 454 2HB MET 1 2HB MET 1 2.450 -20.490 -7.701 455 1HG MET 1 1HG MET 1 0.034 -22.277 -7.381 456 2HG MET 1 2HG MET 1 1.537 -22.845 -8.107 457 1HE MET 1 1HE MET 1 0.600 -24.370 -6.362 458 2HE MET 1 2HE MET 1 0.364 -23.950 -4.667 459 3HE MET 1 3HE MET 1 1.871 -24.707 -5.179 460 H LYS 2 H LYS 2 2.089 -18.432 -8.686 461 HA LYS 2 HA LYS 2 2.939 -16.483 -6.594 462 1HB LYS 2 1HB LYS 2 4.011 -17.591 -9.163 463 2HB LYS 2 2HB LYS 2 4.566 -15.998 -8.647 464 1HG LYS 2 1HG LYS 2 5.170 -16.978 -6.428 465 2HG LYS 2 2HG LYS 2 4.732 -18.569 -7.050 466 1HD LYS 2 1HD LYS 2 6.940 -18.657 -7.628 467 2HD LYS 2 2HD LYS 2 6.397 -17.724 -9.023 468 1HE LYS 2 1HE LYS 2 8.053 -16.284 -8.300 469 2HE LYS 2 2HE LYS 2 6.758 -15.713 -7.229 470 1HZ LYS 2 1HZ LYS 2 8.734 -17.844 -6.612 471 2HZ LYS 2 2HZ LYS 2 7.440 -17.397 -5.606 472 3HZ LYS 2 3HZ LYS 2 8.693 -16.294 -5.925 473 H GLY 3 H GLY 3 0.327 -16.050 -7.532 474 1HA GLY 3 1HA GLY 3 -0.918 -14.166 -8.229 475 2HA GLY 3 2HA GLY 3 0.595 -13.382 -8.685 476 H MET 4 H MET 4 -2.206 -14.569 -9.962 477 HA MET 4 HA MET 4 -0.885 -15.119 -12.600 478 1HB MET 4 1HB MET 4 -1.798 -17.139 -11.507 479 2HB MET 4 2HB MET 4 -3.372 -16.356 -11.375 480 1HG MET 4 1HG MET 4 -3.765 -16.456 -13.672 481 2HG MET 4 2HG MET 4 -2.048 -16.556 -14.063 482 1HE MET 4 1HE MET 4 -0.598 -18.161 -13.562 483 2HE MET 4 2HE MET 4 -1.107 -19.200 -14.889 484 3HE MET 4 3HE MET 4 -0.861 -19.889 -13.287 485 H SER 5 H SER 5 -4.140 -14.385 -11.261 486 HA SER 5 HA SER 5 -4.340 -12.054 -13.087 487 1HB SER 5 1HB SER 5 -5.176 -14.520 -13.889 488 2HB SER 5 2HB SER 5 -6.639 -13.909 -13.123 489 HG SER 5 HG SER 5 -5.859 -13.381 -15.516 490 H LYS 6 H LYS 6 -4.396 -12.739 -10.124 491 HA LYS 6 HA LYS 6 -7.017 -11.427 -9.479 492 1HB LYS 6 1HB LYS 6 -5.406 -13.543 -8.020 493 2HB LYS 6 2HB LYS 6 -6.815 -12.739 -7.327 494 1HG LYS 6 1HG LYS 6 -8.284 -13.871 -8.661 495 2HG LYS 6 2HG LYS 6 -7.191 -13.860 -10.045 496 1HD LYS 6 1HD LYS 6 -6.481 -15.941 -9.566 497 2HD LYS 6 2HD LYS 6 -6.062 -15.459 -7.921 498 1HE LYS 6 1HE LYS 6 -8.892 -15.586 -7.989 499 2HE LYS 6 2HE LYS 6 -8.304 -17.052 -8.798 500 1HZ LYS 6 1HZ LYS 6 -7.566 -16.036 -6.114 501 2HZ LYS 6 2HZ LYS 6 -6.644 -17.208 -6.927 502 3HZ LYS 6 3HZ LYS 6 -8.257 -17.534 -6.505 503 H MET 7 H MET 7 -6.914 -10.173 -7.387 504 HA MET 7 HA MET 7 -4.629 -8.376 -7.366 505 1HB MET 7 1HB MET 7 -5.943 -7.309 -5.567 506 2HB MET 7 2HB MET 7 -6.991 -7.745 -6.915 507 1HG MET 7 1HG MET 7 -7.050 -10.034 -5.394 508 2HG MET 7 2HG MET 7 -6.951 -8.780 -4.159 509 1HE MET 7 1HE MET 7 -9.477 -8.663 -3.090 510 2HE MET 7 2HE MET 7 -10.130 -7.220 -3.858 511 3HE MET 7 3HE MET 7 -8.412 -7.310 -3.496 512 HA PRO 8 HA PRO 8 -2.140 -10.302 -4.291 513 1HB PRO 8 1HB PRO 8 -1.303 -8.189 -2.763 514 2HB PRO 8 2HB PRO 8 -0.695 -8.501 -4.401 515 1HG PRO 8 1HG PRO 8 -2.768 -6.570 -3.487 516 2HG PRO 8 2HG PRO 8 -1.497 -6.365 -4.701 517 1HD PRO 8 1HD PRO 8 -4.086 -6.853 -5.344 518 2HD PRO 8 2HD PRO 8 -2.722 -7.385 -6.352 519 H GLN 9 H GLN 9 -2.356 -11.188 -2.206 520 HA GLN 9 HA GLN 9 -4.888 -11.018 -0.888 521 1HB GLN 9 1HB GLN 9 -2.153 -12.019 -0.038 522 2HB GLN 9 2HB GLN 9 -3.636 -12.336 0.864 523 1HG GLN 9 1HG GLN 9 -4.475 -13.122 -1.557 524 2HG GLN 9 2HG GLN 9 -2.749 -13.422 -1.769 525 1HE2 GLN 9 1HE2 GLN 9 -5.609 -14.379 0.097 526 2HE2 GLN 9 2HE2 GLN 9 -4.910 -15.762 0.789 527 H PHE 10 H PHE 10 -2.137 -8.938 -0.710 528 HA PHE 10 HA PHE 10 -2.440 -8.043 2.027 529 1HB PHE 10 1HB PHE 10 -0.376 -7.798 0.741 530 2HB PHE 10 2HB PHE 10 -1.207 -6.805 -0.456 531 HD1 PHE 10 HD1 PHE 10 -1.422 -4.463 -0.160 532 HD2 PHE 10 HD2 PHE 10 -0.298 -6.957 3.178 533 HE1 PHE 10 HE1 PHE 10 -0.970 -2.428 1.206 534 HE2 PHE 10 HE2 PHE 10 0.151 -4.922 4.546 535 HZ PHE 10 HZ PHE 10 -0.184 -2.658 3.560 536 H LEU 11 H LEU 11 -3.942 -7.166 -1.035 537 HA LEU 11 HA LEU 11 -5.217 -4.766 0.160 538 1HB LEU 11 1HB LEU 11 -5.244 -6.029 -2.601 539 2HB LEU 11 2HB LEU 11 -6.020 -4.496 -2.198 540 HG LEU 11 HG LEU 11 -3.086 -5.002 -1.678 541 1HD1 LEU 11 1HD1 LEU 11 -4.026 -5.114 -4.175 542 2HD1 LEU 11 2HD1 LEU 11 -2.515 -4.284 -3.797 543 3HD1 LEU 11 3HD1 LEU 11 -4.004 -3.359 -3.997 544 1HD2 LEU 11 1HD2 LEU 11 -4.443 -3.121 -0.546 545 2HD2 LEU 11 2HD2 LEU 11 -4.529 -2.394 -2.150 546 3HD2 LEU 11 3HD2 LEU 11 -2.963 -2.649 -1.382 547 H ASN 12 H ASN 12 -5.903 -7.542 1.071 548 HA ASN 12 HA ASN 12 -8.485 -8.273 -0.027 549 1HB ASN 12 1HB ASN 12 -6.601 -9.483 1.469 550 2HB ASN 12 2HB ASN 12 -7.683 -8.969 2.763 551 1HD2 ASN 12 1HD2 ASN 12 -7.286 -11.234 0.140 552 2HD2 ASN 12 2HD2 ASN 12 -8.773 -12.029 0.333 553 H ARG 13 H ARG 13 -7.413 -6.006 2.414 554 HA ARG 13 HA ARG 13 -10.100 -5.725 3.593 555 1HB ARG 13 1HB ARG 13 -7.480 -5.396 4.438 556 2HB ARG 13 2HB ARG 13 -8.056 -3.738 4.257 557 1HG ARG 13 1HG ARG 13 -10.020 -4.277 5.651 558 2HG ARG 13 2HG ARG 13 -9.427 -5.923 5.853 559 1HD ARG 13 1HD ARG 13 -7.859 -5.288 7.392 560 2HD ARG 13 2HD ARG 13 -7.476 -3.790 6.520 561 HE ARG 13 HE ARG 13 -9.781 -2.990 7.385 562 1HH1 ARG 13 1HH1 ARG 13 -7.219 -4.147 9.178 563 2HH1 ARG 13 2HH1 ARG 13 -8.099 -4.339 10.658 564 1HH2 ARG 13 1HH2 ARG 13 -11.190 -3.741 9.207 565 2HH2 ARG 13 2HH2 ARG 13 -10.340 -4.106 10.675 566 H TRP 14 H TRP 14 -8.204 -4.272 1.091 567 HA TRP 14 HA TRP 14 -9.398 -1.656 1.066 568 1HB TRP 14 1HB TRP 14 -7.965 -3.405 -0.940 569 2HB TRP 14 2HB TRP 14 -8.452 -1.756 -1.295 570 HD1 TRP 14 HD1 TRP 14 -7.099 -2.856 2.142 571 HE1 TRP 14 HE1 TRP 14 -4.886 -1.611 2.571 572 HE3 TRP 14 HE3 TRP 14 -6.551 -0.555 -2.355 573 HZ2 TRP 14 HZ2 TRP 14 -3.091 0.160 1.167 574 HZ3 TRP 14 HZ3 TRP 14 -4.581 0.914 -2.813 575 HH2 TRP 14 HH2 TRP 14 -2.855 1.274 -1.049 576 HA PRO 15 HA PRO 15 -13.330 -3.014 -0.517 577 1HB PRO 15 1HB PRO 15 -14.310 -0.562 -1.245 578 2HB PRO 15 2HB PRO 15 -14.270 -1.145 0.427 579 1HG PRO 15 1HG PRO 15 -12.410 0.715 -0.969 580 2HG PRO 15 2HG PRO 15 -13.050 0.793 0.680 581 1HD PRO 15 1HD PRO 15 -10.550 -0.082 0.120 582 2HD PRO 15 2HD PRO 15 -11.490 -0.690 1.498 583 H ARG 16 H ARG 16 -14.550 -2.845 -2.607 584 HA ARG 16 HA ARG 16 -12.860 -3.250 -4.863 585 1HB ARG 16 1HB ARG 16 -15.020 -3.562 -5.926 586 2HB ARG 16 2HB ARG 16 -15.070 -4.280 -4.336 587 1HG ARG 16 1HG ARG 16 -16.170 -2.238 -3.468 588 2HG ARG 16 2HG ARG 16 -16.150 -1.547 -5.091 589 1HD ARG 16 1HD ARG 16 -17.290 -4.201 -5.199 590 2HD ARG 16 2HD ARG 16 -18.150 -3.222 -3.996 591 HE ARG 16 HE ARG 16 -17.660 -1.622 -6.320 592 1HH1 ARG 16 1HH1 ARG 16 -20.060 -3.134 -4.592 593 2HH1 ARG 16 2HH1 ARG 16 -21.140 -3.357 -5.923 594 1HH2 ARG 16 1HH2 ARG 16 -18.820 -2.399 -8.317 595 2HH2 ARG 16 2HH2 ARG 16 -20.440 -2.938 -8.033 596 H GLU 17 H GLU 17 -14.520 -0.427 -3.590 597 HA GLU 17 HA GLU 17 -14.590 1.144 -5.987 598 1HB GLU 17 1HB GLU 17 -14.930 1.445 -3.073 599 2HB GLU 17 2HB GLU 17 -14.400 2.916 -3.891 600 1HG GLU 17 1HG GLU 17 -16.310 2.980 -5.272 601 2HG GLU 17 2HG GLU 17 -16.680 1.277 -4.995 602 H VAL 18 H VAL 18 -12.270 1.178 -3.256 603 HA VAL 18 HA VAL 18 -10.470 3.066 -4.481 604 HB VAL 18 HB VAL 18 -10.020 0.921 -2.371 605 1HG1 VAL 18 1HG1 VAL 18 -8.126 2.199 -1.682 606 2HG1 VAL 18 2HG1 VAL 18 -8.556 3.542 -2.741 607 3HG1 VAL 18 3HG1 VAL 18 -7.980 2.024 -3.430 608 1HG2 VAL 18 1HG2 VAL 18 -11.890 2.405 -1.792 609 2HG2 VAL 18 2HG2 VAL 18 -10.900 3.821 -2.168 610 3HG2 VAL 18 3HG2 VAL 18 -10.490 2.801 -0.793 611 H LEU 19 H LEU 19 -10.560 -0.492 -4.413 612 HA LEU 19 HA LEU 19 -8.043 -0.930 -5.703 613 1HB LEU 19 1HB LEU 19 -10.560 -2.440 -5.153 614 2HB LEU 19 2HB LEU 19 -9.409 -3.143 -6.285 615 HG LEU 19 HG LEU 19 -8.641 -2.150 -3.529 616 1HD1 LEU 19 1HD1 LEU 19 -10.090 -3.960 -3.071 617 2HD1 LEU 19 2HD1 LEU 19 -8.491 -4.694 -3.088 618 3HD1 LEU 19 3HD1 LEU 19 -9.553 -4.863 -4.486 619 1HD2 LEU 19 1HD2 LEU 19 -7.275 -3.540 -5.803 620 2HD2 LEU 19 2HD2 LEU 19 -6.774 -3.938 -4.160 621 3HD2 LEU 19 3HD2 LEU 19 -6.665 -2.274 -4.737 622 H ASP 20 H ASP 20 -11.260 -0.223 -6.963 623 HA ASP 20 HA ASP 20 -10.780 -1.015 -9.690 624 1HB ASP 20 1HB ASP 20 -12.890 -0.124 -8.183 625 2HB ASP 20 2HB ASP 20 -12.550 1.302 -9.157 626 H LEU 21 H LEU 21 -9.971 1.820 -7.813 627 HA LEU 21 HA LEU 21 -9.243 3.457 -10.146 628 1HB LEU 21 1HB LEU 21 -10.210 4.402 -8.092 629 2HB LEU 21 2HB LEU 21 -8.881 3.747 -7.145 630 HG LEU 21 HG LEU 21 -7.286 5.171 -8.315 631 1HD1 LEU 21 1HD1 LEU 21 -9.679 5.737 -10.035 632 2HD1 LEU 21 2HD1 LEU 21 -8.010 5.427 -10.514 633 3HD1 LEU 21 3HD1 LEU 21 -8.455 6.991 -9.833 634 1HD2 LEU 21 1HD2 LEU 21 -8.338 6.180 -6.396 635 2HD2 LEU 21 2HD2 LEU 21 -9.773 6.592 -7.330 636 3HD2 LEU 21 3HD2 LEU 21 -8.248 7.416 -7.651 637 H VAL 22 H VAL 22 -7.593 1.618 -7.586 638 HA VAL 22 HA VAL 22 -4.911 2.378 -8.153 639 HB VAL 22 HB VAL 22 -6.012 -0.281 -7.183 640 1HG1 VAL 22 1HG1 VAL 22 -3.537 -0.073 -7.783 641 2HG1 VAL 22 2HG1 VAL 22 -3.890 -0.588 -6.134 642 3HG1 VAL 22 3HG1 VAL 22 -3.409 1.079 -6.453 643 1HG2 VAL 22 1HG2 VAL 22 -6.817 0.859 -5.412 644 2HG2 VAL 22 2HG2 VAL 22 -6.171 2.374 -6.047 645 3HG2 VAL 22 3HG2 VAL 22 -5.167 1.345 -5.027 646 H ARG 23 H ARG 23 -6.826 -0.389 -9.384 647 HA ARG 23 HA ARG 23 -4.778 -1.534 -11.004 648 1HB ARG 23 1HB ARG 23 -6.668 -2.706 -12.050 649 2HB ARG 23 2HB ARG 23 -6.912 -2.605 -10.306 650 1HG ARG 23 1HG ARG 23 -8.500 -0.834 -10.535 651 2HG ARG 23 2HG ARG 23 -8.069 -0.571 -12.223 652 1HD ARG 23 1HD ARG 23 -10.100 -1.817 -12.304 653 2HD ARG 23 2HD ARG 23 -8.837 -3.021 -12.601 654 HE ARG 23 HE ARG 23 -9.126 -2.895 -9.812 655 1HH1 ARG 23 1HH1 ARG 23 -11.940 -2.524 -11.324 656 2HH1 ARG 23 2HH1 ARG 23 -12.580 -4.109 -11.040 657 1HH2 ARG 23 1HH2 ARG 23 -9.558 -5.426 -9.974 658 2HH2 ARG 23 2HH2 ARG 23 -11.230 -5.753 -10.278 659 H LYS 24 H LYS 24 -6.950 1.179 -11.596 660 HA LYS 24 HA LYS 24 -6.316 1.274 -14.472 661 1HB LYS 24 1HB LYS 24 -8.225 2.380 -12.586 662 2HB LYS 24 2HB LYS 24 -7.561 3.652 -13.609 663 1HG LYS 24 1HG LYS 24 -8.065 1.423 -15.296 664 2HG LYS 24 2HG LYS 24 -9.497 1.637 -14.290 665 1HD LYS 24 1HD LYS 24 -9.996 3.682 -15.195 666 2HD LYS 24 2HD LYS 24 -8.300 4.111 -15.423 667 1HE LYS 24 1HE LYS 24 -8.134 2.821 -17.425 668 2HE LYS 24 2HE LYS 24 -9.662 1.979 -17.096 669 1HZ LYS 24 1HZ LYS 24 -10.140 3.715 -18.623 670 2HZ LYS 24 2HZ LYS 24 -9.282 4.859 -17.712 671 3HZ LYS 24 3HZ LYS 24 -10.730 4.219 -17.115 672 H VAL 25 H VAL 25 -5.087 2.600 -11.505 673 HA VAL 25 HA VAL 25 -3.684 4.840 -12.811 674 HB VAL 25 HB VAL 25 -3.700 3.681 -10.005 675 1HG1 VAL 25 1HG1 VAL 25 -1.635 5.045 -10.749 676 2HG1 VAL 25 2HG1 VAL 25 -2.469 5.569 -9.287 677 3HG1 VAL 25 3HG1 VAL 25 -2.730 6.424 -10.807 678 1HG2 VAL 25 1HG2 VAL 25 -4.863 6.336 -10.679 679 2HG2 VAL 25 2HG2 VAL 25 -5.429 5.118 -9.537 680 3HG2 VAL 25 3HG2 VAL 25 -5.743 4.922 -11.263 681 H ALA 26 H ALA 26 -3.043 1.533 -11.869 682 HA ALA 26 HA ALA 26 -0.148 1.732 -11.807 683 1HB ALA 26 1HB ALA 26 -1.036 -0.888 -12.482 684 2HB ALA 26 2HB ALA 26 -2.253 -0.194 -11.411 685 3HB ALA 26 3HB ALA 26 -0.572 -0.292 -10.889 686 H GLU 27 H GLU 27 -2.575 1.024 -14.280 687 HA GLU 27 HA GLU 27 -0.591 0.303 -16.313 688 1HB GLU 27 1HB GLU 27 -3.075 -0.446 -15.938 689 2HB GLU 27 2HB GLU 27 -3.470 1.047 -16.788 690 1HG GLU 27 1HG GLU 27 -1.472 -0.038 -18.361 691 2HG GLU 27 2HG GLU 27 -2.374 -1.461 -17.837 692 H GLU 28 H GLU 28 -1.785 3.239 -15.027 693 HA GLU 28 HA GLU 28 -1.603 4.777 -17.534 694 1HB GLU 28 1HB GLU 28 -2.451 5.130 -14.720 695 2HB GLU 28 2HB GLU 28 -1.783 6.574 -15.481 696 1HG GLU 28 1HG GLU 28 -3.816 4.925 -16.958 697 2HG GLU 28 2HG GLU 28 -4.349 6.062 -15.720 698 H ASN 29 H ASN 29 0.055 5.015 -14.357 699 HA ASN 29 HA ASN 29 2.150 6.728 -15.209 700 1HB ASN 29 1HB ASN 29 1.816 4.666 -13.028 701 2HB ASN 29 2HB ASN 29 3.298 5.612 -13.169 702 1HD2 ASN 29 1HD2 ASN 29 2.507 6.481 -10.965 703 2HD2 ASN 29 2HD2 ASN 29 1.424 7.788 -10.985 704 H GLY 30 H GLY 30 1.787 3.228 -15.478 705 1HA GLY 30 1HA GLY 30 2.984 2.047 -17.268 706 2HA GLY 30 2HA GLY 30 4.321 3.179 -17.057 707 H ARG 31 H ARG 31 2.612 1.666 -14.375 708 HA ARG 31 HA ARG 31 4.985 -0.096 -13.880 709 1HB ARG 31 1HB ARG 31 3.564 1.621 -11.816 710 2HB ARG 31 2HB ARG 31 5.035 0.680 -11.577 711 1HG ARG 31 1HG ARG 31 6.099 2.113 -13.397 712 2HG ARG 31 2HG ARG 31 4.681 3.156 -13.277 713 1HD ARG 31 1HD ARG 31 5.150 3.370 -10.795 714 2HD ARG 31 2HD ARG 31 6.689 2.536 -11.087 715 HE ARG 31 HE ARG 31 5.941 5.195 -12.201 716 1HH1 ARG 31 1HH1 ARG 31 7.610 3.545 -14.090 717 2HH1 ARG 31 2HH1 ARG 31 9.217 4.015 -13.645 718 1HH2 ARG 31 1HH2 ARG 31 8.257 5.407 -10.618 719 2HH2 ARG 31 2HH2 ARG 31 9.584 5.071 -11.681 720 H SER 32 H SER 32 4.122 -1.179 -11.481 721 HA SER 32 HA SER 32 1.713 -2.706 -12.325 722 1HB SER 32 1HB SER 32 4.133 -3.499 -11.416 723 2HB SER 32 2HB SER 32 3.291 -3.351 -9.878 724 HG SER 32 HG SER 32 2.823 -5.062 -12.042 725 H VAL 33 H VAL 33 0.563 -3.443 -10.015 726 HA VAL 33 HA VAL 33 -0.573 -0.943 -9.005 727 HB VAL 33 HB VAL 33 -1.057 -3.896 -8.542 728 1HG1 VAL 33 1HG1 VAL 33 -2.099 -1.501 -7.186 729 2HG1 VAL 33 2HG1 VAL 33 -2.126 -3.185 -6.670 730 3HG1 VAL 33 3HG1 VAL 33 -3.346 -2.588 -7.793 731 1HG2 VAL 33 1HG2 VAL 33 -1.548 -3.031 -10.797 732 2HG2 VAL 33 2HG2 VAL 33 -2.534 -1.747 -10.098 733 3HG2 VAL 33 3HG2 VAL 33 -3.043 -3.432 -9.950 734 H ASN 34 H ASN 34 1.945 -3.107 -8.065 735 HA ASN 34 HA ASN 34 1.802 -2.516 -5.181 736 1HB ASN 34 1HB ASN 34 2.706 -4.631 -6.279 737 2HB ASN 34 2HB ASN 34 4.067 -3.664 -6.851 738 1HD2 ASN 34 1HD2 ASN 34 5.507 -5.012 -5.459 739 2HD2 ASN 34 2HD2 ASN 34 5.573 -4.726 -3.788 740 H SER 35 H SER 35 3.483 -1.359 -8.060 741 HA SER 35 HA SER 35 5.296 0.417 -6.615 742 1HB SER 35 1HB SER 35 5.125 -0.688 -9.132 743 2HB SER 35 2HB SER 35 4.615 0.968 -9.440 744 HG SER 35 HG SER 35 6.963 0.468 -9.490 745 H GLU 36 H GLU 36 2.192 0.733 -8.358 746 HA GLU 36 HA GLU 36 1.902 3.556 -8.203 747 1HB GLU 36 1HB GLU 36 0.555 1.817 -9.479 748 2HB GLU 36 2HB GLU 36 -0.237 1.417 -7.955 749 1HG GLU 36 1HG GLU 36 -0.360 4.206 -8.109 750 2HG GLU 36 2HG GLU 36 -0.720 3.649 -9.741 751 H ILE 37 H ILE 37 0.699 0.999 -6.006 752 HA ILE 37 HA ILE 37 -0.352 2.748 -3.997 753 HB ILE 37 HB ILE 37 0.734 -0.088 -3.937 754 1HG1 ILE 37 1HG1 ILE 37 -1.159 0.353 -5.500 755 2HG1 ILE 37 2HG1 ILE 37 -1.612 -0.729 -4.183 756 1HG2 ILE 37 1HG2 ILE 37 -1.175 0.054 -1.977 757 2HG2 ILE 37 2HG2 ILE 37 -0.409 1.637 -1.833 758 3HG2 ILE 37 3HG2 ILE 37 0.562 0.171 -1.683 759 1HD1 ILE 37 1HD1 ILE 37 -3.382 0.890 -4.417 760 2HD1 ILE 37 2HD1 ILE 37 -2.231 2.227 -4.422 761 3HD1 ILE 37 3HD1 ILE 37 -2.494 1.296 -2.947 762 H TYR 38 H TYR 38 2.896 1.657 -4.730 763 HA TYR 38 HA TYR 38 4.063 2.237 -2.141 764 1HB TYR 38 1HB TYR 38 5.005 0.646 -3.737 765 2HB TYR 38 2HB TYR 38 5.171 1.916 -4.948 766 HD1 TYR 38 HD1 TYR 38 7.356 2.623 -5.253 767 HD2 TYR 38 HD2 TYR 38 6.012 1.561 -1.301 768 HE1 TYR 38 HE1 TYR 38 9.603 3.209 -4.337 769 HE2 TYR 38 HE2 TYR 38 8.254 2.142 -0.375 770 HH TYR 38 HH TYR 38 10.655 3.795 -2.275 771 H GLN 39 H GLN 39 3.452 4.102 -5.080 772 HA GLN 39 HA GLN 39 5.173 6.339 -4.307 773 1HB GLN 39 1HB GLN 39 2.996 5.898 -6.374 774 2HB GLN 39 2HB GLN 39 3.922 7.395 -6.256 775 1HG GLN 39 1HG GLN 39 5.294 4.716 -6.470 776 2HG GLN 39 2HG GLN 39 4.780 5.604 -7.906 777 1HE2 GLN 39 1HE2 GLN 39 7.316 5.293 -5.634 778 2HE2 GLN 39 2HE2 GLN 39 8.152 6.717 -6.019 779 H ARG 40 H ARG 40 1.645 5.741 -4.352 780 HA ARG 40 HA ARG 40 0.821 8.259 -3.302 781 1HB ARG 40 1HB ARG 40 -0.264 5.442 -3.317 782 2HB ARG 40 2HB ARG 40 -1.154 6.741 -2.522 783 1HG ARG 40 1HG ARG 40 -2.055 7.000 -4.615 784 2HG ARG 40 2HG ARG 40 -0.596 7.956 -4.872 785 1HD ARG 40 1HD ARG 40 0.538 6.076 -5.900 786 2HD ARG 40 2HD ARG 40 -0.791 4.982 -5.472 787 HE ARG 40 HE ARG 40 -2.155 6.035 -7.147 788 1HH1 ARG 40 1HH1 ARG 40 0.788 6.070 -8.288 789 2HH1 ARG 40 2HH1 ARG 40 0.769 7.621 -9.058 790 1HH2 ARG 40 1HH2 ARG 40 -2.132 8.667 -7.470 791 2HH2 ARG 40 2HH2 ARG 40 -0.887 9.092 -8.595 792 H VAL 41 H VAL 41 2.167 5.405 -1.782 793 HA VAL 41 HA VAL 41 1.503 6.267 0.955 794 HB VAL 41 HB VAL 41 2.983 4.000 -0.391 795 1HG1 VAL 41 1HG1 VAL 41 4.222 4.575 1.698 796 2HG1 VAL 41 2HG1 VAL 41 3.432 3.001 1.791 797 3HG1 VAL 41 3HG1 VAL 41 2.721 4.396 2.606 798 1HG2 VAL 41 1HG2 VAL 41 0.324 4.504 0.532 799 2HG2 VAL 41 2HG2 VAL 41 1.007 3.210 1.512 800 3HG2 VAL 41 3HG2 VAL 41 0.950 3.051 -0.240 801 H MET 42 H MET 42 4.223 6.384 -1.279 802 HA MET 42 HA MET 42 6.235 7.145 0.661 803 1HB MET 42 1HB MET 42 5.967 6.545 -2.120 804 2HB MET 42 2HB MET 42 6.788 8.100 -1.985 805 1HG MET 42 1HG MET 42 8.395 7.099 -0.389 806 2HG MET 42 2HG MET 42 7.584 5.543 -0.566 807 1HE MET 42 1HE MET 42 10.139 7.822 -3.586 808 2HE MET 42 2HE MET 42 10.463 7.727 -1.856 809 3HE MET 42 3HE MET 42 8.990 8.507 -2.429 810 H GLU 43 H GLU 43 3.694 8.872 -0.973 811 HA GLU 43 HA GLU 43 4.961 11.513 -0.675 812 1HB GLU 43 1HB GLU 43 2.510 10.296 -1.834 813 2HB GLU 43 2HB GLU 43 2.361 11.973 -1.310 814 1HG GLU 43 1HG GLU 43 4.777 11.219 -2.902 815 2HG GLU 43 2HG GLU 43 3.238 11.364 -3.753 816 H SER 44 H SER 44 2.710 9.474 1.092 817 HA SER 44 HA SER 44 1.463 11.446 2.737 818 1HB SER 44 1HB SER 44 1.967 8.520 2.735 819 2HB SER 44 2HB SER 44 1.575 9.225 4.301 820 HG SER 44 HG SER 44 -0.214 10.274 3.092 821 H PHE 45 H PHE 45 4.201 9.285 3.601 822 HA PHE 45 HA PHE 45 4.889 10.496 6.053 823 1HB PHE 45 1HB PHE 45 6.574 9.164 3.909 824 2HB PHE 45 2HB PHE 45 7.125 9.458 5.559 825 HD1 PHE 45 HD1 PHE 45 6.097 6.891 3.606 826 HD2 PHE 45 HD2 PHE 45 4.921 8.832 7.278 827 HE1 PHE 45 HE1 PHE 45 4.994 4.790 4.364 828 HE2 PHE 45 HE2 PHE 45 3.815 6.730 8.034 829 HZ PHE 45 HZ PHE 45 3.858 4.708 6.579 830 H LYS 46 H LYS 46 6.002 11.294 2.757 831 HA LYS 46 HA LYS 46 7.979 13.205 3.322 832 1HB LYS 46 1HB LYS 46 6.131 12.495 1.154 833 2HB LYS 46 2HB LYS 46 6.616 14.190 1.120 834 1HG LYS 46 1HG LYS 46 9.024 13.307 1.456 835 2HG LYS 46 2HG LYS 46 8.368 11.739 0.986 836 1HD LYS 46 1HD LYS 46 7.347 13.569 -0.895 837 2HD LYS 46 2HD LYS 46 9.045 14.003 -0.690 838 1HE LYS 46 1HE LYS 46 9.388 11.364 -0.853 839 2HE LYS 46 2HE LYS 46 7.857 11.464 -1.745 840 1HZ LYS 46 1HZ LYS 46 10.327 13.031 -2.274 841 2HZ LYS 46 2HZ LYS 46 8.836 13.305 -3.042 842 3HZ LYS 46 3HZ LYS 46 9.657 11.835 -3.272 843 H LYS 47 H LYS 47 4.451 13.596 3.339 844 HA LYS 47 HA LYS 47 4.225 16.395 3.480 845 1HB LYS 47 1HB LYS 47 2.455 14.547 3.368 846 2HB LYS 47 2HB LYS 47 2.621 14.421 5.119 847 1HG LYS 47 1HG LYS 47 1.771 16.572 5.487 848 2HG LYS 47 2HG LYS 47 2.147 17.104 3.848 849 1HD LYS 47 1HD LYS 47 0.211 16.263 2.991 850 2HD LYS 47 2HD LYS 47 0.269 14.828 4.015 851 1HE LYS 47 1HE LYS 47 -0.504 16.166 5.950 852 2HE LYS 47 2HE LYS 47 -0.577 17.606 4.915 853 1HZ LYS 47 1HZ LYS 47 -2.045 15.060 4.471 854 2HZ LYS 47 2HZ LYS 47 -2.067 16.398 3.424 855 3HZ LYS 47 3HZ LYS 47 -2.730 16.524 4.983 856 H GLU 48 H GLU 48 4.199 14.225 6.344 857 HA GLU 48 HA GLU 48 4.549 16.296 8.270 858 1HB GLU 48 1HB GLU 48 4.969 13.324 8.131 859 2HB GLU 48 2HB GLU 48 5.481 14.198 9.575 860 1HG GLU 48 1HG GLU 48 2.760 14.797 8.512 861 2HG GLU 48 2HG GLU 48 2.990 13.241 9.311 862 H GLY 49 H GLY 49 7.017 13.945 7.144 863 1HA GLY 49 1HA GLY 49 9.161 15.144 6.328 864 2HA GLY 49 2HA GLY 49 9.092 15.959 7.889 865 H ARG 50 H ARG 50 8.289 12.542 7.359 866 HA ARG 50 HA ARG 50 10.235 11.771 9.427 867 1HB ARG 50 1HB ARG 50 8.407 10.121 7.647 868 2HB ARG 50 2HB ARG 50 9.173 9.580 9.141 869 1HG ARG 50 1HG ARG 50 7.921 11.787 10.063 870 2HG ARG 50 2HG ARG 50 6.820 11.354 8.756 871 1HD ARG 50 1HD ARG 50 6.123 9.431 9.806 872 2HD ARG 50 2HD ARG 50 7.723 9.116 10.505 873 HE ARG 50 HE ARG 50 5.629 10.771 11.711 874 1HH1 ARG 50 1HH1 ARG 50 7.677 8.948 13.088 875 2HH1 ARG 50 2HH1 ARG 50 8.660 10.121 13.901 876 1HH2 ARG 50 1HH2 ARG 50 7.463 12.798 12.049 877 2HH2 ARG 50 2HH2 ARG 50 8.538 12.299 13.313 878 H ILE 51 H ILE 51 9.809 11.443 5.927 879 HA ILE 51 HA ILE 51 12.628 10.430 5.742 880 HB ILE 51 HB ILE 51 11.779 9.085 3.806 881 1HG1 ILE 51 1HG1 ILE 51 8.990 9.700 4.753 882 2HG1 ILE 51 2HG1 ILE 51 9.767 10.766 3.582 883 1HG2 ILE 51 1HG2 ILE 51 11.560 7.475 5.362 884 2HG2 ILE 51 2HG2 ILE 51 9.914 8.020 5.681 885 3HG2 ILE 51 3HG2 ILE 51 11.260 8.694 6.600 886 1HD1 ILE 51 1HD1 ILE 51 9.829 7.806 3.109 887 2HD1 ILE 51 2HD1 ILE 51 9.855 9.124 1.939 888 3HD1 ILE 51 3HD1 ILE 51 8.349 8.698 2.753 889 H GLY 52 H GLY 52 12.979 10.588 3.029 890 1HA GLY 52 1HA GLY 52 11.918 12.791 1.635 891 2HA GLY 52 2HA GLY 52 13.276 13.412 2.571 892 H ALA 53 H ALA 53 14.923 11.077 2.435 893 HA ALA 53 HA ALA 53 15.455 10.855 -0.507 894 1HB ALA 53 1HB ALA 53 17.737 11.416 -0.125 895 2HB ALA 53 2HB ALA 53 17.585 11.178 1.616 896 3HB ALA 53 3HB ALA 53 16.829 12.574 0.846 Start of MODEL 10 1 1H MET 1 1H MET 1 1.017 -18.132 19.801 2 2H MET 1 2H MET 1 2.210 -18.360 18.614 3 3H MET 1 3H MET 1 1.215 -19.655 19.082 4 HA MET 1 HA MET 1 0.303 -18.971 17.049 5 1HB MET 1 1HB MET 1 -0.953 -18.333 19.620 6 2HB MET 1 2HB MET 1 -1.663 -17.432 18.279 7 1HG MET 1 1HG MET 1 -1.137 -20.333 17.836 8 2HG MET 1 2HG MET 1 -2.474 -19.911 18.907 9 1HE MET 1 1HE MET 1 -2.139 -20.722 14.992 10 2HE MET 1 2HE MET 1 -3.761 -21.104 15.564 11 3HE MET 1 3HE MET 1 -2.366 -21.509 16.560 12 H LYS 2 H LYS 2 1.218 -16.250 19.121 13 HA LYS 2 HA LYS 2 0.976 -14.420 16.756 14 1HB LYS 2 1HB LYS 2 -0.244 -14.199 19.121 15 2HB LYS 2 2HB LYS 2 1.299 -13.478 19.580 16 1HG LYS 2 1HG LYS 2 0.827 -11.575 18.469 17 2HG LYS 2 2HG LYS 2 0.398 -12.466 17.009 18 1HD LYS 2 1HD LYS 2 -1.650 -11.500 17.541 19 2HD LYS 2 2HD LYS 2 -1.787 -13.046 18.378 20 1HE LYS 2 1HE LYS 2 -1.401 -12.085 20.490 21 2HE LYS 2 2HE LYS 2 -0.615 -10.653 19.796 22 1HZ LYS 2 1HZ LYS 2 -2.795 -10.199 18.667 23 2HZ LYS 2 2HZ LYS 2 -2.801 -9.994 20.353 24 3HZ LYS 2 3HZ LYS 2 -3.486 -11.386 19.661 25 H GLY 3 H GLY 3 2.680 -12.553 16.964 26 1HA GLY 3 1HA GLY 3 4.921 -11.846 17.342 27 2HA GLY 3 2HA GLY 3 5.216 -13.343 18.226 28 H MET 4 H MET 4 3.865 -13.082 14.961 29 HA MET 4 HA MET 4 6.149 -14.736 13.977 30 1HB MET 4 1HB MET 4 3.345 -14.843 13.743 31 2HB MET 4 2HB MET 4 3.922 -14.339 12.154 32 1HG MET 4 1HG MET 4 4.948 -16.337 11.750 33 2HG MET 4 2HG MET 4 5.471 -16.519 13.425 34 1HE MET 4 1HE MET 4 2.337 -18.698 11.303 35 2HE MET 4 2HE MET 4 4.071 -18.965 11.467 36 3HE MET 4 3HE MET 4 3.480 -17.492 10.702 37 H SER 5 H SER 5 5.907 -14.143 11.246 38 HA SER 5 HA SER 5 7.273 -11.547 11.113 39 1HB SER 5 1HB SER 5 6.617 -13.826 9.261 40 2HB SER 5 2HB SER 5 7.223 -12.310 8.600 41 HG SER 5 HG SER 5 8.681 -14.194 9.489 42 H LYS 6 H LYS 6 6.411 -9.654 10.228 43 HA LYS 6 HA LYS 6 3.514 -9.752 9.466 44 1HB LYS 6 1HB LYS 6 5.243 -7.542 10.623 45 2HB LYS 6 2HB LYS 6 3.526 -7.390 10.257 46 1HG LYS 6 1HG LYS 6 3.583 -9.683 11.777 47 2HG LYS 6 2HG LYS 6 4.843 -8.708 12.535 48 1HD LYS 6 1HD LYS 6 2.470 -7.135 11.880 49 2HD LYS 6 2HD LYS 6 2.108 -8.461 12.982 50 1HE LYS 6 1HE LYS 6 4.504 -6.688 13.472 51 2HE LYS 6 2HE LYS 6 2.888 -6.213 14.034 52 1HZ LYS 6 1HZ LYS 6 3.898 -7.522 15.739 53 2HZ LYS 6 2HZ LYS 6 4.318 -8.745 14.637 54 3HZ LYS 6 3HZ LYS 6 2.686 -8.465 15.019 55 H MET 7 H MET 7 5.621 -10.297 7.558 56 HA MET 7 HA MET 7 5.618 -7.809 5.892 57 1HB MET 7 1HB MET 7 7.443 -10.135 6.316 58 2HB MET 7 2HB MET 7 7.432 -9.389 4.718 59 1HG MET 7 1HG MET 7 7.619 -7.143 6.044 60 2HG MET 7 2HG MET 7 8.179 -8.172 7.363 61 1HE MET 7 1HE MET 7 9.778 -6.356 3.960 62 2HE MET 7 2HE MET 7 8.229 -7.197 3.926 63 3HE MET 7 3HE MET 7 9.635 -7.920 3.149 64 HA PRO 8 HA PRO 8 2.634 -10.373 3.630 65 1HB PRO 8 1HB PRO 8 1.646 -8.326 2.104 66 2HB PRO 8 2HB PRO 8 1.109 -8.638 3.766 67 1HG PRO 8 1HG PRO 8 3.045 -6.619 2.752 68 2HG PRO 8 2HG PRO 8 1.815 -6.467 4.017 69 1HD PRO 8 1HD PRO 8 4.460 -6.823 4.545 70 2HD PRO 8 2HD PRO 8 3.165 -7.387 5.625 71 H GLN 9 H GLN 9 2.631 -11.104 1.415 72 HA GLN 9 HA GLN 9 5.159 -10.972 0.050 73 1HB GLN 9 1HB GLN 9 2.413 -12.071 -0.403 74 2HB GLN 9 2HB GLN 9 3.510 -12.002 -1.784 75 1HG GLN 9 1HG GLN 9 3.791 -14.156 -0.707 76 2HG GLN 9 2HG GLN 9 5.232 -13.189 -0.387 77 1HE2 GLN 9 1HE2 GLN 9 5.552 -12.383 1.804 78 2HE2 GLN 9 2HE2 GLN 9 4.638 -12.969 3.109 79 H PHE 10 H PHE 10 2.369 -8.910 -0.010 80 HA PHE 10 HA PHE 10 2.734 -7.861 -2.701 81 1HB PHE 10 1HB PHE 10 0.589 -7.837 -1.528 82 2HB PHE 10 2HB PHE 10 1.286 -6.871 -0.226 83 HD1 PHE 10 HD1 PHE 10 1.541 -4.495 -0.423 84 HD2 PHE 10 HD2 PHE 10 0.389 -6.855 -3.849 85 HE1 PHE 10 HE1 PHE 10 1.015 -2.410 -1.682 86 HE2 PHE 10 HE2 PHE 10 -0.138 -4.769 -5.107 87 HZ PHE 10 HZ PHE 10 0.174 -2.547 -4.023 88 H LEU 11 H LEU 11 3.983 -7.074 0.499 89 HA LEU 11 HA LEU 11 5.118 -4.505 -0.439 90 1HB LEU 11 1HB LEU 11 5.085 -6.024 2.184 91 2HB LEU 11 2HB LEU 11 5.878 -4.460 1.981 92 HG LEU 11 HG LEU 11 2.946 -5.014 1.437 93 1HD1 LEU 11 1HD1 LEU 11 4.367 -4.460 3.870 94 2HD1 LEU 11 2HD1 LEU 11 2.630 -4.664 3.634 95 3HD1 LEU 11 3HD1 LEU 11 3.360 -3.066 3.466 96 1HD2 LEU 11 1HD2 LEU 11 4.774 -2.790 0.829 97 2HD2 LEU 11 2HD2 LEU 11 3.307 -2.291 1.674 98 3HD2 LEU 11 3HD2 LEU 11 3.193 -3.161 0.144 99 H ASN 12 H ASN 12 6.030 -7.339 -1.339 100 HA ASN 12 HA ASN 12 8.708 -7.705 -0.296 101 1HB ASN 12 1HB ASN 12 6.827 -8.974 -2.029 102 2HB ASN 12 2HB ASN 12 8.335 -8.796 -2.924 103 1HD2 ASN 12 1HD2 ASN 12 7.035 -11.252 -1.607 104 2HD2 ASN 12 2HD2 ASN 12 8.263 -11.892 -0.624 105 H ARG 13 H ARG 13 7.298 -5.702 -2.783 106 HA ARG 13 HA ARG 13 9.869 -5.206 -4.138 107 1HB ARG 13 1HB ARG 13 7.031 -4.190 -4.414 108 2HB ARG 13 2HB ARG 13 8.349 -3.621 -5.438 109 1HG ARG 13 1HG ARG 13 8.534 -6.438 -5.435 110 2HG ARG 13 2HG ARG 13 6.823 -6.066 -5.646 111 1HD ARG 13 1HD ARG 13 7.155 -5.207 -7.735 112 2HD ARG 13 2HD ARG 13 8.643 -4.370 -7.248 113 HE ARG 13 HE ARG 13 8.882 -7.292 -7.325 114 1HH1 ARG 13 1HH1 ARG 13 10.609 -4.637 -8.017 115 2HH1 ARG 13 2HH1 ARG 13 11.089 -5.083 -9.620 116 1HH2 ARG 13 1HH2 ARG 13 8.871 -7.740 -9.831 117 2HH2 ARG 13 2HH2 ARG 13 10.105 -6.838 -10.647 118 H TRP 14 H TRP 14 8.195 -3.947 -1.426 119 HA TRP 14 HA TRP 14 9.111 -1.187 -1.638 120 1HB TRP 14 1HB TRP 14 7.852 -2.942 0.470 121 2HB TRP 14 2HB TRP 14 8.264 -1.261 0.772 122 HD1 TRP 14 HD1 TRP 14 6.902 -2.468 -2.616 123 HE1 TRP 14 HE1 TRP 14 4.608 -1.361 -3.005 124 HE3 TRP 14 HE3 TRP 14 6.288 -0.208 1.893 125 HZ2 TRP 14 HZ2 TRP 14 2.729 0.287 -1.566 126 HZ3 TRP 14 HZ3 TRP 14 4.232 1.128 2.390 127 HH2 TRP 14 HH2 TRP 14 2.460 1.375 0.660 128 HA PRO 15 HA PRO 15 13.141 -2.046 0.001 129 1HB PRO 15 1HB PRO 15 13.830 0.483 0.777 130 2HB PRO 15 2HB PRO 15 13.829 -0.046 -0.915 131 1HG PRO 15 1HG PRO 15 11.827 1.576 0.562 132 2HG PRO 15 2HG PRO 15 12.374 1.712 -1.115 133 1HD PRO 15 1HD PRO 15 10.006 0.555 -0.364 134 2HD PRO 15 2HD PRO 15 10.876 0.160 -1.862 135 H ARG 16 H ARG 16 14.400 -1.414 2.143 136 HA ARG 16 HA ARG 16 12.656 -2.094 4.373 137 1HB ARG 16 1HB ARG 16 14.637 -3.230 4.537 138 2HB ARG 16 2HB ARG 16 15.510 -2.034 3.597 139 1HG ARG 16 1HG ARG 16 16.101 -0.812 5.426 140 2HG ARG 16 2HG ARG 16 14.644 -1.228 6.325 141 1HD ARG 16 1HD ARG 16 15.665 -2.993 7.333 142 2HD ARG 16 2HD ARG 16 16.317 -3.575 5.789 143 HE ARG 16 HE ARG 16 17.586 -1.164 6.956 144 1HH1 ARG 16 1HH1 ARG 16 18.295 -3.582 4.922 145 2HH1 ARG 16 2HH1 ARG 16 19.696 -4.179 5.745 146 1HH2 ARG 16 1HH2 ARG 16 19.111 -2.347 8.628 147 2HH2 ARG 16 2HH2 ARG 16 20.157 -3.483 7.844 148 H GLU 17 H GLU 17 14.109 0.767 3.006 149 HA GLU 17 HA GLU 17 14.127 2.409 5.373 150 1HB GLU 17 1HB GLU 17 14.045 2.926 2.391 151 2HB GLU 17 2HB GLU 17 14.167 4.232 3.569 152 1HG GLU 17 1HG GLU 17 16.163 2.858 4.533 153 2HG GLU 17 2HG GLU 17 16.151 2.049 2.965 154 H VAL 18 H VAL 18 11.662 1.508 3.036 155 HA VAL 18 HA VAL 18 9.761 3.525 4.105 156 HB VAL 18 HB VAL 18 9.660 1.464 1.872 157 1HG1 VAL 18 1HG1 VAL 18 7.441 1.807 1.716 158 2HG1 VAL 18 2HG1 VAL 18 7.678 3.556 1.679 159 3HG1 VAL 18 3HG1 VAL 18 7.509 2.720 3.224 160 1HG2 VAL 18 1HG2 VAL 18 10.580 3.078 0.587 161 2HG2 VAL 18 2HG2 VAL 18 10.866 4.008 2.056 162 3HG2 VAL 18 3HG2 VAL 18 9.388 4.257 1.130 163 H LEU 19 H LEU 19 10.168 -0.012 3.890 164 HA LEU 19 HA LEU 19 7.699 -0.719 5.160 165 1HB LEU 19 1HB LEU 19 10.395 -2.074 4.874 166 2HB LEU 19 2HB LEU 19 8.968 -2.890 5.515 167 HG LEU 19 HG LEU 19 9.118 -1.562 2.793 168 1HD1 LEU 19 1HD1 LEU 19 9.088 -3.891 1.932 169 2HD1 LEU 19 2HD1 LEU 19 9.209 -4.489 3.586 170 3HD1 LEU 19 3HD1 LEU 19 10.536 -3.564 2.885 171 1HD2 LEU 19 1HD2 LEU 19 7.007 -3.196 4.224 172 2HD2 LEU 19 2HD2 LEU 19 6.981 -2.914 2.484 173 3HD2 LEU 19 3HD2 LEU 19 6.856 -1.554 3.601 174 H ASP 20 H ASP 20 10.832 0.237 6.420 175 HA ASP 20 HA ASP 20 10.382 -0.669 9.143 176 1HB ASP 20 1HB ASP 20 12.595 -0.232 8.058 177 2HB ASP 20 2HB ASP 20 12.204 1.488 8.026 178 H LEU 21 H LEU 21 9.447 2.129 7.293 179 HA LEU 21 HA LEU 21 8.803 3.754 9.677 180 1HB LEU 21 1HB LEU 21 9.765 4.804 7.712 181 2HB LEU 21 2HB LEU 21 8.530 4.093 6.675 182 HG LEU 21 HG LEU 21 6.794 5.400 7.837 183 1HD1 LEU 21 1HD1 LEU 21 7.826 5.569 10.042 184 2HD1 LEU 21 2HD1 LEU 21 7.527 7.191 9.416 185 3HD1 LEU 21 3HD1 LEU 21 9.157 6.517 9.377 186 1HD2 LEU 21 1HD2 LEU 21 9.183 6.908 6.758 187 2HD2 LEU 21 2HD2 LEU 21 7.645 7.691 7.115 188 3HD2 LEU 21 3HD2 LEU 21 7.729 6.427 5.887 189 H VAL 22 H VAL 22 7.166 1.845 7.191 190 HA VAL 22 HA VAL 22 4.474 2.670 7.754 191 HB VAL 22 HB VAL 22 5.521 0.019 6.708 192 1HG1 VAL 22 1HG1 VAL 22 3.405 -0.241 5.696 193 2HG1 VAL 22 2HG1 VAL 22 2.998 1.463 5.909 194 3HG1 VAL 22 3HG1 VAL 22 3.031 0.383 7.303 195 1HG2 VAL 22 1HG2 VAL 22 4.716 1.873 4.653 196 2HG2 VAL 22 2HG2 VAL 22 6.282 1.088 4.874 197 3HG2 VAL 22 3HG2 VAL 22 5.944 2.627 5.670 198 H ARG 23 H ARG 23 6.324 -0.218 8.786 199 HA ARG 23 HA ARG 23 4.323 -1.380 10.428 200 1HB ARG 23 1HB ARG 23 6.307 -2.506 11.477 201 2HB ARG 23 2HB ARG 23 6.341 -2.536 9.714 202 1HG ARG 23 1HG ARG 23 8.400 -1.622 9.854 203 2HG ARG 23 2HG ARG 23 7.606 -0.136 10.376 204 1HD ARG 23 1HD ARG 23 8.187 -0.447 12.581 205 2HD ARG 23 2HD ARG 23 8.030 -2.213 12.474 206 HE ARG 23 HE ARG 23 10.167 -1.742 10.836 207 1HH1 ARG 23 1HH1 ARG 23 10.815 0.783 12.172 208 2HH1 ARG 23 2HH1 ARG 23 11.805 0.289 13.505 209 1HH2 ARG 23 1HH2 ARG 23 10.812 -3.028 13.354 210 2HH2 ARG 23 2HH2 ARG 23 11.802 -1.867 14.174 211 H LYS 24 H LYS 24 6.508 1.306 11.065 212 HA LYS 24 HA LYS 24 6.032 1.286 13.963 213 1HB LYS 24 1HB LYS 24 7.792 2.481 12.030 214 2HB LYS 24 2HB LYS 24 7.077 3.762 13.009 215 1HG LYS 24 1HG LYS 24 7.932 1.393 14.542 216 2HG LYS 24 2HG LYS 24 9.249 2.277 13.768 217 1HD LYS 24 1HD LYS 24 7.602 4.274 14.824 218 2HD LYS 24 2HD LYS 24 7.638 3.027 16.071 219 1HE LYS 24 1HE LYS 24 10.048 3.077 16.170 220 2HE LYS 24 2HE LYS 24 10.138 4.112 14.731 221 1HZ LYS 24 1HZ LYS 24 8.664 5.696 16.002 222 2HZ LYS 24 2HZ LYS 24 10.267 5.572 16.556 223 3HZ LYS 24 3HZ LYS 24 9.013 4.784 17.389 224 H VAL 25 H VAL 25 4.619 2.737 11.127 225 HA VAL 25 HA VAL 25 3.193 4.875 12.520 226 HB VAL 25 HB VAL 25 2.981 3.576 9.785 227 1HG1 VAL 25 1HG1 VAL 25 0.886 4.760 10.504 228 2HG1 VAL 25 2HG1 VAL 25 1.669 5.491 9.102 229 3HG1 VAL 25 3HG1 VAL 25 1.841 6.231 10.696 230 1HG2 VAL 25 1HG2 VAL 25 3.989 6.321 10.033 231 2HG2 VAL 25 2HG2 VAL 25 4.654 4.956 9.137 232 3HG2 VAL 25 3HG2 VAL 25 4.993 5.129 10.859 233 H ALA 26 H ALA 26 2.380 1.625 11.305 234 HA ALA 26 HA ALA 26 -0.426 1.738 11.838 235 1HB ALA 26 1HB ALA 26 0.828 -0.869 12.219 236 2HB ALA 26 2HB ALA 26 1.481 -0.034 10.810 237 3HB ALA 26 3HB ALA 26 -0.252 -0.332 10.935 238 H GLU 27 H GLU 27 2.350 0.725 13.830 239 HA GLU 27 HA GLU 27 0.800 -0.158 16.094 240 1HB GLU 27 1HB GLU 27 3.621 0.528 15.418 241 2HB GLU 27 2HB GLU 27 3.204 0.494 17.131 242 1HG GLU 27 1HG GLU 27 2.302 -1.784 16.878 243 2HG GLU 27 2HG GLU 27 2.701 -1.755 15.160 244 H GLU 28 H GLU 28 1.570 2.998 14.889 245 HA GLU 28 HA GLU 28 1.399 4.354 17.488 246 1HB GLU 28 1HB GLU 28 1.643 5.103 14.582 247 2HB GLU 28 2HB GLU 28 1.293 6.346 15.785 248 1HG GLU 28 1HG GLU 28 3.524 4.436 16.348 249 2HG GLU 28 2HG GLU 28 3.803 5.711 15.160 250 H ASN 29 H ASN 29 -0.599 4.539 14.507 251 HA ASN 29 HA ASN 29 -2.790 5.914 15.682 252 1HB ASN 29 1HB ASN 29 -2.246 4.239 13.279 253 2HB ASN 29 2HB ASN 29 -3.941 4.518 13.680 254 1HD2 ASN 29 1HD2 ASN 29 -0.861 6.322 13.191 255 2HD2 ASN 29 2HD2 ASN 29 -1.608 7.732 12.608 256 H GLY 30 H GLY 30 -1.956 2.491 15.726 257 1HA GLY 30 1HA GLY 30 -2.822 1.013 17.450 258 2HA GLY 30 2HA GLY 30 -4.254 2.036 17.561 259 H ARG 31 H ARG 31 -2.736 0.727 14.635 260 HA ARG 31 HA ARG 31 -5.098 -1.052 14.211 261 1HB ARG 31 1HB ARG 31 -3.991 0.925 12.189 262 2HB ARG 31 2HB ARG 31 -5.422 -0.088 11.997 263 1HG ARG 31 1HG ARG 31 -6.403 1.094 14.013 264 2HG ARG 31 2HG ARG 31 -5.044 2.217 13.923 265 1HD ARG 31 1HD ARG 31 -5.736 2.533 11.435 266 2HD ARG 31 2HD ARG 31 -7.280 1.816 11.932 267 HE ARG 31 HE ARG 31 -6.420 4.475 12.592 268 1HH1 ARG 31 1HH1 ARG 31 -8.656 2.029 13.271 269 2HH1 ARG 31 2HH1 ARG 31 -9.227 2.736 14.744 270 1HH2 ARG 31 1HH2 ARG 31 -6.832 5.240 14.791 271 2HH2 ARG 31 2HH2 ARG 31 -8.197 4.549 15.604 272 H SER 32 H SER 32 -4.300 -1.596 11.486 273 HA SER 32 HA SER 32 -1.810 -3.172 11.994 274 1HB SER 32 1HB SER 32 -4.012 -4.314 11.484 275 2HB SER 32 2HB SER 32 -3.975 -3.547 9.899 276 HG SER 32 HG SER 32 -2.565 -5.687 10.870 277 H VAL 33 H VAL 33 -0.632 -3.577 9.762 278 HA VAL 33 HA VAL 33 0.117 -0.966 8.718 279 HB VAL 33 HB VAL 33 0.880 -3.824 8.050 280 1HG1 VAL 33 1HG1 VAL 33 2.825 -1.710 7.529 281 2HG1 VAL 33 2HG1 VAL 33 1.366 -1.537 6.553 282 3HG1 VAL 33 3HG1 VAL 33 2.299 -3.031 6.486 283 1HG2 VAL 33 1HG2 VAL 33 1.654 -1.840 10.113 284 2HG2 VAL 33 2HG2 VAL 33 2.992 -2.690 9.339 285 3HG2 VAL 33 3HG2 VAL 33 1.728 -3.602 10.164 286 H ASN 34 H ASN 34 -2.091 -3.490 7.778 287 HA ASN 34 HA ASN 34 -2.193 -2.877 4.937 288 1HB ASN 34 1HB ASN 34 -3.874 -4.334 6.975 289 2HB ASN 34 2HB ASN 34 -4.504 -4.072 5.347 290 1HD2 ASN 34 1HD2 ASN 34 -3.960 -5.685 3.875 291 2HD2 ASN 34 2HD2 ASN 34 -2.617 -6.716 4.008 292 H SER 35 H SER 35 -3.642 -1.549 7.841 293 HA SER 35 HA SER 35 -5.647 0.021 6.357 294 1HB SER 35 1HB SER 35 -5.604 -1.044 8.811 295 2HB SER 35 2HB SER 35 -4.887 0.515 9.213 296 HG SER 35 HG SER 35 -6.700 1.527 8.557 297 H GLU 36 H GLU 36 -2.441 0.455 7.789 298 HA GLU 36 HA GLU 36 -2.380 3.327 7.730 299 1HB GLU 36 1HB GLU 36 -0.880 1.576 8.903 300 2HB GLU 36 2HB GLU 36 -0.048 1.441 7.352 301 1HG GLU 36 1HG GLU 36 -0.503 4.207 8.253 302 2HG GLU 36 2HG GLU 36 0.578 3.269 9.282 303 H ILE 37 H ILE 37 -1.173 0.845 5.452 304 HA ILE 37 HA ILE 37 -0.255 2.698 3.450 305 HB ILE 37 HB ILE 37 -1.195 -0.190 3.288 306 1HG1 ILE 37 1HG1 ILE 37 0.605 0.225 4.957 307 2HG1 ILE 37 2HG1 ILE 37 1.177 -0.741 3.597 308 1HG2 ILE 37 1HG2 ILE 37 -0.058 1.680 1.319 309 2HG2 ILE 37 2HG2 ILE 37 -0.906 0.154 1.062 310 3HG2 ILE 37 3HG2 ILE 37 0.818 0.153 1.440 311 1HD1 ILE 37 1HD1 ILE 37 2.006 1.399 2.540 312 2HD1 ILE 37 2HD1 ILE 37 2.841 0.953 4.027 313 3HD1 ILE 37 3HD1 ILE 37 1.617 2.223 4.050 314 H TYR 38 H TYR 38 -3.377 1.208 4.143 315 HA TYR 38 HA TYR 38 -4.677 1.806 1.655 316 1HB TYR 38 1HB TYR 38 -5.449 0.152 3.295 317 2HB TYR 38 2HB TYR 38 -5.687 1.426 4.493 318 HD1 TYR 38 HD1 TYR 38 -7.930 1.935 4.826 319 HD2 TYR 38 HD2 TYR 38 -6.536 1.005 0.857 320 HE1 TYR 38 HE1 TYR 38 -10.220 2.355 3.929 321 HE2 TYR 38 HE2 TYR 38 -8.826 1.421 -0.051 322 HH TYR 38 HH TYR 38 -11.330 2.864 1.889 323 H GLN 39 H GLN 39 -4.384 3.600 4.724 324 HA GLN 39 HA GLN 39 -6.157 5.758 3.950 325 1HB GLN 39 1HB GLN 39 -4.358 4.975 6.142 326 2HB GLN 39 2HB GLN 39 -4.418 6.719 5.884 327 1HG GLN 39 1HG GLN 39 -6.342 6.709 7.064 328 2HG GLN 39 2HG GLN 39 -7.081 5.915 5.673 329 1HE2 GLN 39 1HE2 GLN 39 -7.902 3.841 6.037 330 2HE2 GLN 39 2HE2 GLN 39 -7.526 2.875 7.382 331 H ARG 40 H ARG 40 -2.605 5.383 4.004 332 HA ARG 40 HA ARG 40 -1.928 7.975 3.015 333 1HB ARG 40 1HB ARG 40 -0.520 5.328 2.520 334 2HB ARG 40 2HB ARG 40 0.223 6.925 2.564 335 1HG ARG 40 1HG ARG 40 -1.252 6.470 5.006 336 2HG ARG 40 2HG ARG 40 -0.125 5.142 4.731 337 1HD ARG 40 1HD ARG 40 1.713 6.795 4.400 338 2HD ARG 40 2HD ARG 40 0.571 8.101 4.779 339 HE ARG 40 HE ARG 40 1.405 5.959 6.690 340 1HH1 ARG 40 1HH1 ARG 40 -1.273 7.841 6.387 341 2HH1 ARG 40 2HH1 ARG 40 -1.040 8.773 7.828 342 1HH2 ARG 40 1HH2 ARG 40 2.189 7.631 8.366 343 2HH2 ARG 40 2HH2 ARG 40 0.919 8.655 8.946 344 H VAL 41 H VAL 41 -3.166 5.114 1.465 345 HA VAL 41 HA VAL 41 -2.530 6.025 -1.274 346 HB VAL 41 HB VAL 41 -3.897 3.657 0.031 347 1HG1 VAL 41 1HG1 VAL 41 -3.364 4.093 -2.924 348 2HG1 VAL 41 2HG1 VAL 41 -4.957 4.056 -2.164 349 3HG1 VAL 41 3HG1 VAL 41 -3.959 2.602 -2.191 350 1HG2 VAL 41 1HG2 VAL 41 -1.495 3.435 -1.705 351 2HG2 VAL 41 2HG2 VAL 41 -1.880 2.594 -0.204 352 3HG2 VAL 41 3HG2 VAL 41 -1.279 4.248 -0.158 353 H MET 42 H MET 42 -5.166 6.077 1.003 354 HA MET 42 HA MET 42 -7.300 6.503 -0.929 355 1HB MET 42 1HB MET 42 -6.900 6.045 1.874 356 2HB MET 42 2HB MET 42 -7.938 7.455 1.682 357 1HG MET 42 1HG MET 42 -8.384 4.802 0.288 358 2HG MET 42 2HG MET 42 -9.215 5.305 1.760 359 1HE MET 42 1HE MET 42 -11.140 4.547 0.335 360 2HE MET 42 2HE MET 42 -12.180 5.757 -0.405 361 3HE MET 42 3HE MET 42 -11.740 5.904 1.294 362 H GLU 43 H GLU 43 -5.826 8.677 1.524 363 HA GLU 43 HA GLU 43 -7.075 11.072 0.820 364 1HB GLU 43 1HB GLU 43 -5.084 12.112 1.848 365 2HB GLU 43 2HB GLU 43 -5.582 10.683 2.751 366 1HG GLU 43 1HG GLU 43 -3.901 9.358 1.403 367 2HG GLU 43 2HG GLU 43 -3.309 10.891 0.761 368 H SER 44 H SER 44 -4.333 9.503 -0.803 369 HA SER 44 HA SER 44 -3.486 11.679 -2.430 370 1HB SER 44 1HB SER 44 -3.492 8.672 -2.751 371 2HB SER 44 2HB SER 44 -2.702 9.736 -3.910 372 HG SER 44 HG SER 44 -1.407 8.896 -2.075 373 H PHE 45 H PHE 45 -5.796 9.048 -3.222 374 HA PHE 45 HA PHE 45 -6.510 9.964 -5.811 375 1HB PHE 45 1HB PHE 45 -7.868 8.355 -3.648 376 2HB PHE 45 2HB PHE 45 -8.638 8.620 -5.212 377 HD1 PHE 45 HD1 PHE 45 -7.118 6.127 -3.599 378 HD2 PHE 45 HD2 PHE 45 -6.425 8.528 -7.119 379 HE1 PHE 45 HE1 PHE 45 -5.755 4.287 -4.586 380 HE2 PHE 45 HE2 PHE 45 -5.064 6.689 -8.104 381 HZ PHE 45 HZ PHE 45 -4.733 4.568 -6.841 382 H LYS 46 H LYS 46 -7.635 10.989 -2.620 383 HA LYS 46 HA LYS 46 -9.950 12.452 -3.610 384 1HB LYS 46 1HB LYS 46 -8.368 12.416 -1.026 385 2HB LYS 46 2HB LYS 46 -9.841 13.364 -1.237 386 1HG LYS 46 1HG LYS 46 -10.730 10.997 -2.144 387 2HG LYS 46 2HG LYS 46 -9.504 10.414 -1.026 388 1HD LYS 46 1HD LYS 46 -10.750 10.963 0.769 389 2HD LYS 46 2HD LYS 46 -11.060 12.580 0.137 390 1HE LYS 46 1HE LYS 46 -13.200 11.911 -0.239 391 2HE LYS 46 2HE LYS 46 -12.560 10.838 -1.501 392 1HZ LYS 46 1HZ LYS 46 -12.200 9.126 0.089 393 2HZ LYS 46 2HZ LYS 46 -13.790 9.663 0.302 394 3HZ LYS 46 3HZ LYS 46 -12.580 10.150 1.387 395 H LYS 47 H LYS 47 -6.557 13.234 -3.018 396 HA LYS 47 HA LYS 47 -6.656 16.051 -2.903 397 1HB LYS 47 1HB LYS 47 -4.696 14.461 -2.630 398 2HB LYS 47 2HB LYS 47 -4.623 14.365 -4.390 399 1HG LYS 47 1HG LYS 47 -4.787 17.128 -3.627 400 2HG LYS 47 2HG LYS 47 -3.490 16.362 -2.710 401 1HD LYS 47 1HD LYS 47 -2.627 15.399 -4.869 402 2HD LYS 47 2HD LYS 47 -3.833 16.362 -5.721 403 1HE LYS 47 1HE LYS 47 -2.864 18.432 -4.741 404 2HE LYS 47 2HE LYS 47 -1.621 17.449 -3.939 405 1HZ LYS 47 1HZ LYS 47 -2.103 17.770 -6.845 406 2HZ LYS 47 2HZ LYS 47 -1.191 16.480 -6.220 407 3HZ LYS 47 3HZ LYS 47 -0.677 18.081 -5.982 408 H GLU 48 H GLU 48 -6.374 13.986 -5.824 409 HA GLU 48 HA GLU 48 -6.653 16.281 -7.621 410 1HB GLU 48 1HB GLU 48 -6.489 13.276 -7.871 411 2HB GLU 48 2HB GLU 48 -6.803 14.288 -9.281 412 1HG GLU 48 1HG GLU 48 -4.637 15.448 -7.812 413 2HG GLU 48 2HG GLU 48 -4.292 13.734 -8.046 414 H GLY 49 H GLY 49 -8.654 13.340 -7.104 415 1HA GLY 49 1HA GLY 49 -11.110 13.889 -6.590 416 2HA GLY 49 2HA GLY 49 -11.010 14.943 -8.002 417 H ARG 50 H ARG 50 -9.636 11.690 -7.568 418 HA ARG 50 HA ARG 50 -10.720 10.851 -10.160 419 1HB ARG 50 1HB ARG 50 -8.750 10.011 -8.158 420 2HB ARG 50 2HB ARG 50 -9.616 8.654 -8.879 421 1HG ARG 50 1HG ARG 50 -8.372 8.849 -10.741 422 2HG ARG 50 2HG ARG 50 -8.979 10.489 -10.973 423 1HD ARG 50 1HD ARG 50 -7.213 11.306 -9.374 424 2HD ARG 50 2HD ARG 50 -6.544 9.663 -9.354 425 HE ARG 50 HE ARG 50 -6.861 11.221 -11.895 426 1HH1 ARG 50 1HH1 ARG 50 -4.287 11.078 -10.113 427 2HH1 ARG 50 2HH1 ARG 50 -3.356 9.946 -11.038 428 1HH2 ARG 50 1HH2 ARG 50 -6.048 8.902 -12.959 429 2HH2 ARG 50 2HH2 ARG 50 -4.354 8.717 -12.651 430 H ILE 51 H ILE 51 -11.490 10.390 -6.754 431 HA ILE 51 HA ILE 51 -13.340 8.164 -7.234 432 HB ILE 51 HB ILE 51 -12.850 9.979 -4.849 433 1HG1 ILE 51 1HG1 ILE 51 -11.820 7.171 -5.287 434 2HG1 ILE 51 2HG1 ILE 51 -10.910 8.585 -5.813 435 1HG2 ILE 51 1HG2 ILE 51 -14.900 8.107 -5.309 436 2HG2 ILE 51 2HG2 ILE 51 -14.440 8.808 -3.759 437 3HG2 ILE 51 3HG2 ILE 51 -13.740 7.277 -4.279 438 1HD1 ILE 51 1HD1 ILE 51 -10.140 7.966 -3.595 439 2HD1 ILE 51 2HD1 ILE 51 -11.800 7.953 -2.987 440 3HD1 ILE 51 3HD1 ILE 51 -11.050 9.474 -3.469 441 H GLY 52 H GLY 52 -13.510 11.642 -7.251 442 1HA GLY 52 1HA GLY 52 -15.670 12.327 -8.513 443 2HA GLY 52 2HA GLY 52 -16.490 11.517 -7.177 444 H ALA 53 H ALA 53 -14.410 12.454 -5.243 445 HA ALA 53 HA ALA 53 -15.640 15.062 -4.659 446 1HB ALA 53 1HB ALA 53 -15.080 13.122 -3.056 447 2HB ALA 53 2HB ALA 53 -14.630 14.742 -2.527 448 3HB ALA 53 3HB ALA 53 -13.410 13.657 -3.189 449 1H MET 1 1H MET 1 0.132 -17.303 -20.921 450 2H MET 1 2H MET 1 -1.029 -17.688 -19.743 451 3H MET 1 3H MET 1 0.077 -18.866 -20.266 452 HA MET 1 HA MET 1 0.937 -18.182 -18.209 453 1HB MET 1 1HB MET 1 2.113 -17.323 -20.753 454 2HB MET 1 2HB MET 1 2.746 -16.420 -19.376 455 1HG MET 1 1HG MET 1 2.491 -19.374 -19.061 456 2HG MET 1 2HG MET 1 3.775 -18.785 -20.117 457 1HE MET 1 1HE MET 1 3.542 -19.786 -16.236 458 2HE MET 1 2HE MET 1 5.186 -20.000 -16.831 459 3HE MET 1 3HE MET 1 3.823 -20.484 -17.837 460 H LYS 2 H LYS 2 -0.231 -15.474 -20.165 461 HA LYS 2 HA LYS 2 -0.139 -13.724 -17.731 462 1HB LYS 2 1HB LYS 2 1.042 -13.303 -20.087 463 2HB LYS 2 2HB LYS 2 -0.561 -12.701 -20.513 464 1HG LYS 2 1HG LYS 2 -0.254 -10.814 -19.321 465 2HG LYS 2 2HG LYS 2 0.266 -11.725 -17.903 466 1HD LYS 2 1HD LYS 2 2.212 -10.555 -18.402 467 2HD LYS 2 2HD LYS 2 2.483 -12.045 -19.306 468 1HE LYS 2 1HE LYS 2 1.990 -11.034 -21.372 469 2HE LYS 2 2HE LYS 2 1.085 -9.709 -20.611 470 1HZ LYS 2 1HZ LYS 2 3.226 -9.107 -19.480 471 2HZ LYS 2 2HZ LYS 2 3.204 -8.840 -21.158 472 3HZ LYS 2 3HZ LYS 2 4.012 -10.192 -20.518 473 H GLY 3 H GLY 3 -1.998 -12.018 -17.842 474 1HA GLY 3 1HA GLY 3 -4.293 -11.489 -18.196 475 2HA GLY 3 2HA GLY 3 -4.464 -12.972 -19.134 476 H MET 4 H MET 4 -3.112 -12.722 -15.870 477 HA MET 4 HA MET 4 -5.236 -14.604 -14.938 478 1HB MET 4 1HB MET 4 -2.432 -14.470 -14.723 479 2HB MET 4 2HB MET 4 -3.040 -14.085 -13.111 480 1HG MET 4 1HG MET 4 -3.881 -16.179 -12.785 481 2HG MET 4 2HG MET 4 -4.400 -16.339 -14.464 482 1HE MET 4 1HE MET 4 -1.067 -18.316 -12.450 483 2HE MET 4 2HE MET 4 -2.771 -18.733 -12.616 484 3HE MET 4 3HE MET 4 -2.312 -17.244 -11.794 485 H SER 5 H SER 5 -5.028 -14.104 -12.193 486 HA SER 5 HA SER 5 -6.617 -11.650 -11.941 487 1HB SER 5 1HB SER 5 -5.734 -13.934 -10.192 488 2HB SER 5 2HB SER 5 -6.464 -12.507 -9.462 489 HG SER 5 HG SER 5 -7.760 -14.476 -10.415 490 H LYS 6 H LYS 6 -5.920 -9.725 -10.984 491 HA LYS 6 HA LYS 6 -3.020 -9.596 -10.240 492 1HB LYS 6 1HB LYS 6 -4.947 -7.503 -11.306 493 2HB LYS 6 2HB LYS 6 -3.246 -7.214 -10.937 494 1HG LYS 6 1HG LYS 6 -3.108 -9.443 -12.547 495 2HG LYS 6 2HG LYS 6 -4.456 -8.557 -13.259 496 1HD LYS 6 1HD LYS 6 -2.226 -6.803 -12.554 497 2HD LYS 6 2HD LYS 6 -1.761 -8.048 -13.714 498 1HE LYS 6 1HE LYS 6 -4.306 -6.473 -14.114 499 2HE LYS 6 2HE LYS 6 -2.745 -5.834 -14.665 500 1HZ LYS 6 1HZ LYS 6 -3.650 -7.156 -16.419 501 2HZ LYS 6 2HZ LYS 6 -3.952 -8.456 -15.366 502 3HZ LYS 6 3HZ LYS 6 -2.355 -8.018 -15.745 503 H MET 7 H MET 7 -5.054 -10.403 -8.347 504 HA MET 7 HA MET 7 -5.264 -7.996 -6.579 505 1HB MET 7 1HB MET 7 -6.877 -10.459 -7.092 506 2HB MET 7 2HB MET 7 -6.920 -9.778 -5.465 507 1HG MET 7 1HG MET 7 -7.311 -7.508 -6.701 508 2HG MET 7 2HG MET 7 -7.791 -8.530 -8.057 509 1HE MET 7 1HE MET 7 -9.514 -6.995 -4.576 510 2HE MET 7 2HE MET 7 -7.897 -7.698 -4.585 511 3HE MET 7 3HE MET 7 -9.226 -8.572 -3.827 512 HA PRO 8 HA PRO 8 -2.042 -10.374 -4.441 513 1HB PRO 8 1HB PRO 8 -1.223 -8.309 -2.841 514 2HB PRO 8 2HB PRO 8 -0.677 -8.506 -4.519 515 1HG PRO 8 1HG PRO 8 -2.775 -6.708 -3.410 516 2HG PRO 8 2HG PRO 8 -1.577 -6.399 -4.677 517 1HD PRO 8 1HD PRO 8 -4.186 -6.966 -5.197 518 2HD PRO 8 2HD PRO 8 -2.858 -7.367 -6.310 519 H GLN 9 H GLN 9 -1.955 -11.192 -2.257 520 HA GLN 9 HA GLN 9 -4.472 -11.336 -0.872 521 1HB GLN 9 1HB GLN 9 -1.636 -12.200 -0.476 522 2HB GLN 9 2HB GLN 9 -2.723 -12.288 0.909 523 1HG GLN 9 1HG GLN 9 -2.814 -14.413 -0.254 524 2HG GLN 9 2HG GLN 9 -4.340 -13.572 -0.525 525 1HE2 GLN 9 1HE2 GLN 9 -4.751 -12.704 -2.682 526 2HE2 GLN 9 2HE2 GLN 9 -3.801 -13.154 -4.014 527 H PHE 10 H PHE 10 -1.877 -9.039 -0.742 528 HA PHE 10 HA PHE 10 -2.313 -8.134 1.989 529 1HB PHE 10 1HB PHE 10 -0.185 -7.876 0.812 530 2HB PHE 10 2HB PHE 10 -0.971 -6.923 -0.448 531 HD1 PHE 10 HD1 PHE 10 -1.438 -4.591 -0.155 532 HD2 PHE 10 HD2 PHE 10 -0.053 -6.972 3.167 533 HE1 PHE 10 HE1 PHE 10 -1.092 -2.519 1.186 534 HE2 PHE 10 HE2 PHE 10 0.293 -4.901 4.507 535 HZ PHE 10 HZ PHE 10 -0.226 -2.673 3.518 536 H LEU 11 H LEU 11 -3.655 -7.340 -1.170 537 HA LEU 11 HA LEU 11 -5.006 -4.921 -0.123 538 1HB LEU 11 1HB LEU 11 -4.858 -6.316 -2.812 539 2HB LEU 11 2HB LEU 11 -5.781 -4.839 -2.537 540 HG LEU 11 HG LEU 11 -2.808 -5.160 -2.027 541 1HD1 LEU 11 1HD1 LEU 11 -4.288 -4.624 -4.431 542 2HD1 LEU 11 2HD1 LEU 11 -2.539 -4.693 -4.208 543 3HD1 LEU 11 3HD1 LEU 11 -3.398 -3.171 -3.969 544 1HD2 LEU 11 1HD2 LEU 11 -4.817 -3.130 -1.317 545 2HD2 LEU 11 2HD2 LEU 11 -3.406 -2.469 -2.147 546 3HD2 LEU 11 3HD2 LEU 11 -3.202 -3.391 -0.656 547 H ASN 12 H ASN 12 -5.656 -7.846 0.678 548 HA ASN 12 HA ASN 12 -8.296 -8.415 -0.379 549 1HB ASN 12 1HB ASN 12 -6.296 -9.583 1.290 550 2HB ASN 12 2HB ASN 12 -7.806 -9.574 2.200 551 1HD2 ASN 12 1HD2 ASN 12 -6.309 -11.851 0.774 552 2HD2 ASN 12 2HD2 ASN 12 -7.483 -12.554 -0.229 553 H ARG 13 H ARG 13 -7.052 -6.398 2.181 554 HA ARG 13 HA ARG 13 -9.643 -6.189 3.571 555 1HB ARG 13 1HB ARG 13 -6.902 -4.935 3.866 556 2HB ARG 13 2HB ARG 13 -8.255 -4.524 4.920 557 1HG ARG 13 1HG ARG 13 -8.189 -7.347 4.808 558 2HG ARG 13 2HG ARG 13 -6.517 -6.828 5.025 559 1HD ARG 13 1HD ARG 13 -6.908 -6.085 7.147 560 2HD ARG 13 2HD ARG 13 -8.468 -5.367 6.702 561 HE ARG 13 HE ARG 13 -8.447 -8.299 6.660 562 1HH1 ARG 13 1HH1 ARG 13 -10.390 -5.841 7.469 563 2HH1 ARG 13 2HH1 ARG 13 -10.820 -6.394 9.054 564 1HH2 ARG 13 1HH2 ARG 13 -8.377 -8.846 9.147 565 2HH2 ARG 13 2HH2 ARG 13 -9.681 -8.094 10.003 566 H TRP 14 H TRP 14 -8.117 -4.683 0.902 567 HA TRP 14 HA TRP 14 -9.269 -2.027 1.227 568 1HB TRP 14 1HB TRP 14 -7.875 -3.583 -0.951 569 2HB TRP 14 2HB TRP 14 -8.440 -1.935 -1.187 570 HD1 TRP 14 HD1 TRP 14 -6.953 -3.134 2.153 571 HE1 TRP 14 HE1 TRP 14 -4.767 -1.836 2.573 572 HE3 TRP 14 HE3 TRP 14 -6.578 -0.676 -2.275 573 HZ2 TRP 14 HZ2 TRP 14 -3.054 0.029 1.185 574 HZ3 TRP 14 HZ3 TRP 14 -4.657 0.858 -2.735 575 HH2 TRP 14 HH2 TRP 14 -2.904 1.208 -1.005 576 HA PRO 15 HA PRO 15 -13.220 -3.162 -0.425 577 1HB PRO 15 1HB PRO 15 -14.130 -0.671 -1.093 578 2HB PRO 15 2HB PRO 15 -14.070 -1.264 0.577 579 1HG PRO 15 1HG PRO 15 -12.220 0.577 -0.844 580 2HG PRO 15 2HG PRO 15 -12.770 0.601 0.840 581 1HD PRO 15 1HD PRO 15 -10.320 -0.321 0.028 582 2HD PRO 15 2HD PRO 15 -11.130 -0.848 1.515 583 H ARG 16 H ARG 16 -14.540 -2.568 -2.532 584 HA ARG 16 HA ARG 16 -12.770 -2.998 -4.799 585 1HB ARG 16 1HB ARG 16 -14.650 -4.293 -4.995 586 2HB ARG 16 2HB ARG 16 -15.610 -3.211 -4.007 587 1HG ARG 16 1HG ARG 16 -16.320 -1.980 -5.788 588 2HG ARG 16 2HG ARG 16 -14.840 -2.227 -6.703 589 1HD ARG 16 1HD ARG 16 -15.700 -4.033 -7.780 590 2HD ARG 16 2HD ARG 16 -16.290 -4.735 -6.259 591 HE ARG 16 HE ARG 16 -17.770 -2.405 -7.328 592 1HH1 ARG 16 1HH1 ARG 16 -18.250 -4.954 -5.385 593 2HH1 ARG 16 2HH1 ARG 16 -19.600 -5.643 -6.223 594 1HH2 ARG 16 1HH2 ARG 16 -19.200 -3.655 -9.036 595 2HH2 ARG 16 2HH2 ARG 16 -20.140 -4.906 -8.289 596 H GLU 17 H GLU 17 -14.450 -0.329 -3.308 597 HA GLU 17 HA GLU 17 -14.630 1.401 -5.608 598 1HB GLU 17 1HB GLU 17 -14.570 1.797 -2.606 599 2HB GLU 17 2HB GLU 17 -14.820 3.135 -3.729 600 1HG GLU 17 1HG GLU 17 -16.690 1.628 -4.741 601 2HG GLU 17 2HG GLU 17 -16.590 0.762 -3.208 602 H VAL 18 H VAL 18 -12.080 0.625 -3.319 603 HA VAL 18 HA VAL 18 -10.370 2.847 -4.308 604 HB VAL 18 HB VAL 18 -10.070 0.713 -2.163 605 1HG1 VAL 18 1HG1 VAL 18 -7.889 1.252 -2.008 606 2HG1 VAL 18 2HG1 VAL 18 -8.285 2.965 -1.894 607 3HG1 VAL 18 3HG1 VAL 18 -8.055 2.217 -3.473 608 1HG2 VAL 18 1HG2 VAL 18 -11.120 2.182 -0.809 609 2HG2 VAL 18 2HG2 VAL 18 -11.500 3.143 -2.237 610 3HG2 VAL 18 3HG2 VAL 18 -10.040 3.485 -1.307 611 H LEU 19 H LEU 19 -10.460 -0.717 -4.240 612 HA LEU 19 HA LEU 19 -7.957 -1.154 -5.550 613 1HB LEU 19 1HB LEU 19 -10.520 -2.746 -5.300 614 2HB LEU 19 2HB LEU 19 -9.037 -3.411 -5.985 615 HG LEU 19 HG LEU 19 -9.271 -2.212 -3.210 616 1HD1 LEU 19 1HD1 LEU 19 -9.028 -4.562 -2.449 617 2HD1 LEU 19 2HD1 LEU 19 -9.106 -5.100 -4.127 618 3HD1 LEU 19 3HD1 LEU 19 -10.500 -4.329 -3.382 619 1HD2 LEU 19 1HD2 LEU 19 -7.040 -3.600 -4.718 620 2HD2 LEU 19 2HD2 LEU 19 -7.019 -3.367 -2.969 621 3HD2 LEU 19 3HD2 LEU 19 -7.028 -1.970 -4.047 622 H ASP 20 H ASP 20 -11.170 -0.415 -6.756 623 HA ASP 20 HA ASP 20 -10.660 -1.181 -9.514 624 1HB ASP 20 1HB ASP 20 -12.890 -0.982 -8.408 625 2HB ASP 20 2HB ASP 20 -12.660 0.763 -8.309 626 H LEU 21 H LEU 21 -9.959 1.612 -7.562 627 HA LEU 21 HA LEU 21 -9.483 3.381 -9.882 628 1HB LEU 21 1HB LEU 21 -10.520 4.260 -7.875 629 2HB LEU 21 2HB LEU 21 -9.228 3.619 -6.868 630 HG LEU 21 HG LEU 21 -7.617 5.121 -7.978 631 1HD1 LEU 21 1HD1 LEU 21 -8.678 5.300 -10.170 632 2HD1 LEU 21 2HD1 LEU 21 -8.516 6.911 -9.472 633 3HD1 LEU 21 3HD1 LEU 21 -10.080 6.097 -9.456 634 1HD2 LEU 21 1HD2 LEU 21 -10.120 6.388 -6.842 635 2HD2 LEU 21 2HD2 LEU 21 -8.631 7.286 -7.130 636 3HD2 LEU 21 3HD2 LEU 21 -8.649 5.956 -5.974 637 H VAL 22 H VAL 22 -7.660 1.531 -7.476 638 HA VAL 22 HA VAL 22 -5.057 2.613 -8.020 639 HB VAL 22 HB VAL 22 -5.853 -0.161 -7.072 640 1HG1 VAL 22 1HG1 VAL 22 -3.713 -0.271 -6.079 641 2HG1 VAL 22 2HG1 VAL 22 -3.458 1.468 -6.228 642 3HG1 VAL 22 3HG1 VAL 22 -3.408 0.444 -7.663 643 1HG2 VAL 22 1HG2 VAL 22 -5.196 1.669 -4.946 644 2HG2 VAL 22 2HG2 VAL 22 -6.692 0.767 -5.196 645 3HG2 VAL 22 3HG2 VAL 22 -6.489 2.360 -5.926 646 H ARG 23 H ARG 23 -6.656 -0.384 -9.161 647 HA ARG 23 HA ARG 23 -4.575 -1.301 -10.859 648 1HB ARG 23 1HB ARG 23 -6.462 -2.557 -11.939 649 2HB ARG 23 2HB ARG 23 -6.483 -2.652 -10.177 650 1HG ARG 23 1HG ARG 23 -8.613 -1.915 -10.279 651 2HG ARG 23 2HG ARG 23 -7.953 -0.349 -10.748 652 1HD ARG 23 1HD ARG 23 -8.529 -0.623 -12.958 653 2HD ARG 23 2HD ARG 23 -8.210 -2.371 -12.924 654 HE ARG 23 HE ARG 23 -10.360 -2.165 -11.259 655 1HH1 ARG 23 1HH1 ARG 23 -11.240 0.348 -12.480 656 2HH1 ARG 23 2HH1 ARG 23 -12.200 -0.177 -13.828 657 1HH2 ARG 23 1HH2 ARG 23 -10.920 -3.398 -13.822 658 2HH2 ARG 23 2HH2 ARG 23 -12.010 -2.296 -14.588 659 H LYS 24 H LYS 24 -6.995 1.205 -11.377 660 HA LYS 24 HA LYS 24 -6.539 1.349 -14.274 661 1HB LYS 24 1HB LYS 24 -8.386 2.300 -12.285 662 2HB LYS 24 2HB LYS 24 -7.795 3.679 -13.215 663 1HG LYS 24 1HG LYS 24 -8.449 1.306 -14.841 664 2HG LYS 24 2HG LYS 24 -9.832 2.035 -14.026 665 1HD LYS 24 1HD LYS 24 -8.378 4.214 -15.004 666 2HD LYS 24 2HD LYS 24 -8.314 3.023 -16.303 667 1HE LYS 24 1HE LYS 24 -10.710 2.863 -16.387 668 2HE LYS 24 2HE LYS 24 -10.880 3.824 -14.904 669 1HZ LYS 24 1HZ LYS 24 -9.574 5.586 -16.118 670 2HZ LYS 24 2HZ LYS 24 -11.160 5.340 -16.667 671 3HZ LYS 24 3HZ LYS 24 -9.851 4.702 -17.540 672 H VAL 25 H VAL 25 -5.239 2.799 -11.380 673 HA VAL 25 HA VAL 25 -4.025 5.110 -12.693 674 HB VAL 25 HB VAL 25 -3.679 3.735 -10.010 675 1HG1 VAL 25 1HG1 VAL 25 -1.707 5.139 -10.707 676 2HG1 VAL 25 2HG1 VAL 25 -2.530 5.717 -9.257 677 3HG1 VAL 25 3HG1 VAL 25 -2.799 6.521 -10.804 678 1HG2 VAL 25 1HG2 VAL 25 -4.929 6.389 -10.159 679 2HG2 VAL 25 2HG2 VAL 25 -5.461 4.942 -9.301 680 3HG2 VAL 25 3HG2 VAL 25 -5.831 5.138 -11.015 681 H ALA 26 H ALA 26 -2.911 1.903 -11.613 682 HA ALA 26 HA ALA 26 -0.131 2.280 -12.156 683 1HB ALA 26 1HB ALA 26 -1.176 -0.402 -12.652 684 2HB ALA 26 2HB ALA 26 -1.861 0.310 -11.191 685 3HB ALA 26 3HB ALA 26 -0.113 0.158 -11.361 686 H GLU 27 H GLU 27 -2.821 1.096 -14.176 687 HA GLU 27 HA GLU 27 -1.224 0.456 -16.484 688 1HB GLU 27 1HB GLU 27 -4.087 0.867 -15.762 689 2HB GLU 27 2HB GLU 27 -3.684 0.940 -17.478 690 1HG GLU 27 1HG GLU 27 -2.583 -1.258 -17.322 691 2HG GLU 27 2HG GLU 27 -2.972 -1.334 -15.604 692 H GLU 28 H GLU 28 -2.260 3.481 -15.145 693 HA GLU 28 HA GLU 28 -2.232 4.949 -17.687 694 1HB GLU 28 1HB GLU 28 -2.513 5.562 -14.752 695 2HB GLU 28 2HB GLU 28 -2.283 6.876 -15.907 696 1HG GLU 28 1HG GLU 28 -4.346 4.802 -16.532 697 2HG GLU 28 2HG GLU 28 -4.722 6.000 -15.292 698 H ASN 29 H ASN 29 -0.230 5.194 -14.715 699 HA ASN 29 HA ASN 29 1.820 6.805 -15.839 700 1HB ASN 29 1HB ASN 29 1.441 4.990 -13.511 701 2HB ASN 29 2HB ASN 29 3.103 5.429 -13.906 702 1HD2 ASN 29 1HD2 ASN 29 -0.117 6.937 -13.326 703 2HD2 ASN 29 2HD2 ASN 29 0.508 8.381 -12.689 704 H GLY 30 H GLY 30 1.300 3.322 -16.023 705 1HA GLY 30 1HA GLY 30 2.290 1.999 -17.809 706 2HA GLY 30 2HA GLY 30 3.620 3.156 -17.882 707 H ARG 31 H ARG 31 2.236 1.587 -15.017 708 HA ARG 31 HA ARG 31 4.754 0.024 -14.657 709 1HB ARG 31 1HB ARG 31 3.479 1.819 -12.565 710 2HB ARG 31 2HB ARG 31 4.993 0.931 -12.407 711 1HG ARG 31 1HG ARG 31 5.863 2.264 -14.382 712 2HG ARG 31 2HG ARG 31 4.415 3.263 -14.249 713 1HD ARG 31 1HD ARG 31 5.091 3.540 -11.749 714 2HD ARG 31 2HD ARG 31 6.688 2.982 -12.280 715 HE ARG 31 HE ARG 31 5.593 5.580 -12.828 716 1HH1 ARG 31 1HH1 ARG 31 8.031 3.373 -13.617 717 2HH1 ARG 31 2HH1 ARG 31 8.521 4.182 -15.065 718 1HH2 ARG 31 1HH2 ARG 31 5.914 6.463 -14.998 719 2HH2 ARG 31 2HH2 ARG 31 7.327 5.930 -15.846 720 H SER 32 H SER 32 4.021 -0.701 -11.959 721 HA SER 32 HA SER 32 1.672 -2.466 -12.524 722 1HB SER 32 1HB SER 32 3.973 -3.432 -12.073 723 2HB SER 32 2HB SER 32 3.874 -2.746 -10.454 724 HG SER 32 HG SER 32 2.666 -4.960 -11.517 725 H VAL 33 H VAL 33 0.555 -3.067 -10.304 726 HA VAL 33 HA VAL 33 -0.414 -0.581 -9.146 727 HB VAL 33 HB VAL 33 -0.909 -3.519 -8.593 728 1HG1 VAL 33 1HG1 VAL 33 -3.035 -1.616 -7.979 729 2HG1 VAL 33 2HG1 VAL 33 -1.592 -1.351 -7.002 730 3HG1 VAL 33 3HG1 VAL 33 -2.385 -2.927 -6.994 731 1HG2 VAL 33 1HG2 VAL 33 -1.872 -1.533 -10.573 732 2HG2 VAL 33 2HG2 VAL 33 -3.123 -2.534 -9.833 733 3HG2 VAL 33 3HG2 VAL 33 -1.781 -3.291 -10.696 734 H ASN 34 H ASN 34 2.021 -2.928 -8.322 735 HA ASN 34 HA ASN 34 2.091 -2.425 -5.457 736 1HB ASN 34 1HB ASN 34 3.873 -3.647 -7.563 737 2HB ASN 34 2HB ASN 34 4.493 -3.398 -5.930 738 1HD2 ASN 34 1HD2 ASN 34 4.106 -5.108 -4.523 739 2HD2 ASN 34 2HD2 ASN 34 2.857 -6.247 -4.690 740 H SER 35 H SER 35 3.391 -0.857 -8.310 741 HA SER 35 HA SER 35 5.266 0.821 -6.775 742 1HB SER 35 1HB SER 35 5.296 -0.146 -9.268 743 2HB SER 35 2HB SER 35 4.441 1.357 -9.604 744 HG SER 35 HG SER 35 6.163 2.500 -8.930 745 H GLU 36 H GLU 36 2.022 1.021 -8.169 746 HA GLU 36 HA GLU 36 1.706 3.873 -7.997 747 1HB GLU 36 1HB GLU 36 0.360 2.043 -9.234 748 2HB GLU 36 2HB GLU 36 -0.446 1.771 -7.688 749 1HG GLU 36 1HG GLU 36 -0.248 4.602 -8.480 750 2HG GLU 36 2HG GLU 36 -1.249 3.611 -9.538 751 H ILE 37 H ILE 37 0.746 1.201 -5.815 752 HA ILE 37 HA ILE 37 -0.313 2.888 -3.735 753 HB ILE 37 HB ILE 37 0.863 0.084 -3.699 754 1HG1 ILE 37 1HG1 ILE 37 -0.975 0.415 -5.343 755 2HG1 ILE 37 2HG1 ILE 37 -1.456 -0.650 -4.024 756 1HG2 ILE 37 1HG2 ILE 37 -0.416 1.765 -1.646 757 2HG2 ILE 37 2HG2 ILE 37 0.564 0.310 -1.458 758 3HG2 ILE 37 3HG2 ILE 37 -1.157 0.173 -1.830 759 1HD1 ILE 37 1HD1 ILE 37 -2.448 1.378 -2.877 760 2HD1 ILE 37 2HD1 ILE 37 -3.263 0.903 -4.365 761 3HD1 ILE 37 3HD1 ILE 37 -2.156 2.277 -4.366 762 H TYR 38 H TYR 38 2.923 1.715 -4.513 763 HA TYR 38 HA TYR 38 4.183 2.315 -2.002 764 1HB TYR 38 1HB TYR 38 5.089 0.808 -3.713 765 2HB TYR 38 2HB TYR 38 5.202 2.147 -4.857 766 HD1 TYR 38 HD1 TYR 38 7.388 2.866 -5.178 767 HD2 TYR 38 HD2 TYR 38 6.113 1.661 -1.244 768 HE1 TYR 38 HE1 TYR 38 9.638 3.458 -4.274 769 HE2 TYR 38 HE2 TYR 38 8.361 2.248 -0.329 770 HH TYR 38 HH TYR 38 10.721 3.979 -2.228 771 H GLN 39 H GLN 39 3.706 4.202 -4.992 772 HA GLN 39 HA GLN 39 5.285 6.477 -4.138 773 1HB GLN 39 1HB GLN 39 3.546 5.624 -6.351 774 2HB GLN 39 2HB GLN 39 3.442 7.353 -6.021 775 1HG GLN 39 1HG GLN 39 5.345 7.573 -7.213 776 2HG GLN 39 2HG GLN 39 6.170 6.806 -5.857 777 1HE2 GLN 39 1HE2 GLN 39 7.184 4.832 -6.301 778 2HE2 GLN 39 2HE2 GLN 39 6.893 3.885 -7.679 779 H ARG 40 H ARG 40 1.778 5.791 -4.190 780 HA ARG 40 HA ARG 40 0.887 8.270 -3.087 781 1HB ARG 40 1HB ARG 40 -0.279 5.491 -2.704 782 2HB ARG 40 2HB ARG 40 -1.161 7.015 -2.673 783 1HG ARG 40 1HG ARG 40 0.329 6.801 -5.139 784 2HG ARG 40 2HG ARG 40 -0.672 5.366 -4.918 785 1HD ARG 40 1HD ARG 40 -2.647 6.832 -4.508 786 2HD ARG 40 2HD ARG 40 -1.631 8.250 -4.839 787 HE ARG 40 HE ARG 40 -2.290 6.121 -6.830 788 1HH1 ARG 40 1HH1 ARG 40 0.213 8.215 -6.467 789 2HH1 ARG 40 2HH1 ARG 40 -0.115 9.182 -7.867 790 1HH2 ARG 40 1HH2 ARG 40 -3.233 7.779 -8.432 791 2HH2 ARG 40 2HH2 ARG 40 -2.064 8.934 -8.978 792 H VAL 41 H VAL 41 2.386 5.466 -1.666 793 HA VAL 41 HA VAL 41 1.694 6.195 1.114 794 HB VAL 41 HB VAL 41 3.257 4.021 -0.302 795 1HG1 VAL 41 1HG1 VAL 41 2.716 4.251 2.675 796 2HG1 VAL 41 2HG1 VAL 41 4.295 4.441 1.910 797 3HG1 VAL 41 3HG1 VAL 41 3.473 2.880 1.858 798 1HG2 VAL 41 1HG2 VAL 41 0.906 3.516 1.449 799 2HG2 VAL 41 2HG2 VAL 41 1.355 2.757 -0.078 800 3HG2 VAL 41 3HG2 VAL 41 0.603 4.349 -0.075 801 H MET 42 H MET 42 4.293 6.581 -1.175 802 HA MET 42 HA MET 42 6.397 7.121 0.759 803 1HB MET 42 1HB MET 42 6.013 6.744 -2.060 804 2HB MET 42 2HB MET 42 6.923 8.233 -1.814 805 1HG MET 42 1HG MET 42 7.614 5.577 -0.530 806 2HG MET 42 2HG MET 42 8.385 6.209 -1.986 807 1HE MET 42 1HE MET 42 10.388 5.572 -0.599 808 2HE MET 42 2HE MET 42 11.323 6.841 0.188 809 3HE MET 42 3HE MET 42 10.864 7.015 -1.503 810 H GLU 43 H GLU 43 4.723 9.253 -1.600 811 HA GLU 43 HA GLU 43 5.749 11.722 -0.802 812 1HB GLU 43 1HB GLU 43 3.669 12.617 -1.780 813 2HB GLU 43 2HB GLU 43 4.278 11.266 -2.739 814 1HG GLU 43 1HG GLU 43 2.723 9.759 -1.426 815 2HG GLU 43 2HG GLU 43 2.014 11.214 -0.726 816 H SER 44 H SER 44 3.174 9.846 0.769 817 HA SER 44 HA SER 44 2.149 11.874 2.484 818 1HB SER 44 1HB SER 44 2.417 8.867 2.686 819 2HB SER 44 2HB SER 44 1.541 9.814 3.884 820 HG SER 44 HG SER 44 0.314 8.939 2.025 821 H PHE 45 H PHE 45 4.692 9.429 3.157 822 HA PHE 45 HA PHE 45 5.334 10.299 5.783 823 1HB PHE 45 1HB PHE 45 6.823 8.909 3.553 824 2HB PHE 45 2HB PHE 45 7.568 9.177 5.129 825 HD1 PHE 45 HD1 PHE 45 6.259 6.628 3.407 826 HD2 PHE 45 HD2 PHE 45 5.390 8.807 7.030 827 HE1 PHE 45 HE1 PHE 45 5.072 4.636 4.321 828 HE2 PHE 45 HE2 PHE 45 4.204 6.815 7.944 829 HZ PHE 45 HZ PHE 45 4.050 4.728 6.591 830 H LYS 46 H LYS 46 6.345 11.542 2.633 831 HA LYS 46 HA LYS 46 8.525 13.168 3.667 832 1HB LYS 46 1HB LYS 46 6.926 13.085 1.096 833 2HB LYS 46 2HB LYS 46 8.305 14.160 1.334 834 1HG LYS 46 1HG LYS 46 9.424 11.850 2.146 835 2HG LYS 46 2HG LYS 46 8.244 11.203 1.006 836 1HD LYS 46 1HD LYS 46 9.425 11.940 -0.768 837 2HD LYS 46 2HD LYS 46 9.595 13.550 -0.068 838 1HE LYS 46 1HE LYS 46 11.786 13.061 0.265 839 2HE LYS 46 2HE LYS 46 11.262 11.886 1.488 840 1HZ LYS 46 1HZ LYS 46 11.033 10.214 -0.172 841 2HZ LYS 46 2HZ LYS 46 12.575 10.899 -0.367 842 3HZ LYS 46 3HZ LYS 46 11.314 11.320 -1.426 843 H LYS 47 H LYS 47 5.069 13.669 3.130 844 HA LYS 47 HA LYS 47 4.920 16.484 3.122 845 1HB LYS 47 1HB LYS 47 3.103 14.744 2.797 846 2HB LYS 47 2HB LYS 47 3.056 14.570 4.552 847 1HG LYS 47 1HG LYS 47 2.973 17.365 3.907 848 2HG LYS 47 2HG LYS 47 1.740 16.530 2.963 849 1HD LYS 47 1HD LYS 47 0.981 15.405 5.081 850 2HD LYS 47 2HD LYS 47 2.102 16.436 5.968 851 1HE LYS 47 1HE LYS 47 0.948 18.449 5.075 852 2HE LYS 47 2HE LYS 47 -0.211 17.392 4.243 853 1HZ LYS 47 1HZ LYS 47 0.269 17.639 7.155 854 2HZ LYS 47 2HZ LYS 47 -0.531 16.297 6.485 855 3HZ LYS 47 3HZ LYS 47 -1.188 17.855 6.314 856 H GLU 48 H GLU 48 4.851 14.291 5.963 857 HA GLU 48 HA GLU 48 4.936 16.528 7.850 858 1HB GLU 48 1HB GLU 48 5.043 13.513 7.976 859 2HB GLU 48 2HB GLU 48 5.278 14.489 9.426 860 1HG GLU 48 1HG GLU 48 3.004 15.512 8.017 861 2HG GLU 48 2HG GLU 48 2.815 13.766 8.183 862 H GLY 49 H GLY 49 7.188 13.805 7.199 863 1HA GLY 49 1HA GLY 49 9.584 14.586 6.707 864 2HA GLY 49 2HA GLY 49 9.404 15.569 8.160 865 H ARG 50 H ARG 50 8.313 12.229 7.597 866 HA ARG 50 HA ARG 50 9.491 11.382 10.149 867 1HB ARG 50 1HB ARG 50 7.582 10.450 8.122 868 2HB ARG 50 2HB ARG 50 8.572 9.149 8.783 869 1HG ARG 50 1HG ARG 50 7.325 9.152 10.653 870 2HG ARG 50 2HG ARG 50 7.789 10.828 10.955 871 1HD ARG 50 1HD ARG 50 5.948 11.556 9.396 872 2HD ARG 50 2HD ARG 50 5.424 9.864 9.309 873 HE ARG 50 HE ARG 50 5.627 11.338 11.911 874 1HH1 ARG 50 1HH1 ARG 50 3.058 11.037 10.136 875 2HH1 ARG 50 2HH1 ARG 50 2.239 9.795 11.025 876 1HH2 ARG 50 1HH2 ARG 50 5.030 8.916 12.885 877 2HH2 ARG 50 2HH2 ARG 50 3.357 8.592 12.577 878 H ILE 51 H ILE 51 10.269 11.130 6.724 879 HA ILE 51 HA ILE 51 12.310 9.060 7.105 880 HB ILE 51 HB ILE 51 11.645 10.923 4.799 881 1HG1 ILE 51 1HG1 ILE 51 10.873 8.017 5.125 882 2HG1 ILE 51 2HG1 ILE 51 9.840 9.321 5.712 883 1HG2 ILE 51 1HG2 ILE 51 13.860 9.227 5.171 884 2HG2 ILE 51 2HG2 ILE 51 13.322 9.944 3.652 885 3HG2 ILE 51 3HG2 ILE 51 12.765 8.336 4.113 886 1HD1 ILE 51 1HD1 ILE 51 9.120 8.723 3.472 887 2HD1 ILE 51 2HD1 ILE 51 10.764 8.886 2.857 888 3HD1 ILE 51 3HD1 ILE 51 9.883 10.312 3.406 889 H GLY 52 H GLY 52 12.180 12.537 7.266 890 1HA GLY 52 1HA GLY 52 14.290 13.358 8.537 891 2HA GLY 52 2HA GLY 52 15.160 12.675 7.163 892 H ALA 53 H ALA 53 12.993 13.503 5.284 893 HA ALA 53 HA ALA 53 13.978 16.233 4.802 894 1HB ALA 53 1HB ALA 53 13.573 14.315 3.124 895 2HB ALA 53 2HB ALA 53 12.981 15.911 2.664 896 3HB ALA 53 3HB ALA 53 11.860 14.700 3.284 Start of MODEL 11 1 1H MET 1 1H MET 1 7.458 -22.707 5.739 2 2H MET 1 2H MET 1 9.057 -22.739 6.315 3 3H MET 1 3H MET 1 8.230 -21.261 6.178 4 HA MET 1 HA MET 1 6.569 -22.216 7.840 5 1HB MET 1 1HB MET 1 7.908 -24.481 7.246 6 2HB MET 1 2HB MET 1 8.830 -23.979 8.663 7 1HG MET 1 1HG MET 1 5.922 -23.727 9.012 8 2HG MET 1 2HG MET 1 6.457 -25.385 8.740 9 1HE MET 1 1HE MET 1 8.563 -26.408 9.985 10 2HE MET 1 2HE MET 1 6.957 -26.842 10.564 11 3HE MET 1 3HE MET 1 8.243 -26.503 11.721 12 H LYS 2 H LYS 2 6.797 -21.210 9.884 13 HA LYS 2 HA LYS 2 9.452 -20.411 10.874 14 1HB LYS 2 1HB LYS 2 8.881 -17.981 10.678 15 2HB LYS 2 2HB LYS 2 9.021 -18.772 9.108 16 1HG LYS 2 1HG LYS 2 6.517 -19.118 9.159 17 2HG LYS 2 2HG LYS 2 6.470 -18.091 10.592 18 1HD LYS 2 1HD LYS 2 7.005 -16.178 9.415 19 2HD LYS 2 2HD LYS 2 7.916 -17.062 8.188 20 1HE LYS 2 1HE LYS 2 5.888 -16.314 7.116 21 2HE LYS 2 2HE LYS 2 5.660 -18.046 7.438 22 1HZ LYS 2 1HZ LYS 2 4.522 -17.534 9.465 23 2HZ LYS 2 2HZ LYS 2 3.780 -16.656 8.216 24 3HZ LYS 2 3HZ LYS 2 4.835 -15.877 9.294 25 H GLY 3 H GLY 3 8.879 -18.612 12.747 26 1HA GLY 3 1HA GLY 3 6.438 -19.570 14.174 27 2HA GLY 3 2HA GLY 3 7.991 -19.522 15.009 28 H MET 4 H MET 4 6.513 -17.184 12.748 29 HA MET 4 HA MET 4 5.956 -15.246 14.855 30 1HB MET 4 1HB MET 4 8.603 -15.527 13.958 31 2HB MET 4 2HB MET 4 8.000 -14.087 13.138 32 1HG MET 4 1HG MET 4 7.092 -14.036 15.863 33 2HG MET 4 2HG MET 4 8.829 -14.338 15.856 34 1HE MET 4 1HE MET 4 9.483 -12.172 16.989 35 2HE MET 4 2HE MET 4 7.762 -11.874 17.217 36 3HE MET 4 3HE MET 4 8.799 -10.587 16.604 37 H SER 5 H SER 5 5.939 -12.909 13.494 38 HA SER 5 HA SER 5 4.128 -13.475 11.180 39 1HB SER 5 1HB SER 5 4.464 -11.094 13.031 40 2HB SER 5 2HB SER 5 3.292 -11.177 11.720 41 HG SER 5 HG SER 5 2.410 -11.808 13.749 42 H LYS 6 H LYS 6 4.792 -12.848 9.159 43 HA LYS 6 HA LYS 6 7.177 -11.035 8.970 44 1HB LYS 6 1HB LYS 6 6.294 -13.542 7.638 45 2HB LYS 6 2HB LYS 6 7.082 -12.354 6.600 46 1HG LYS 6 1HG LYS 6 8.254 -13.236 9.246 47 2HG LYS 6 2HG LYS 6 8.638 -14.035 7.721 48 1HD LYS 6 1HD LYS 6 10.064 -12.391 7.135 49 2HD LYS 6 2HD LYS 6 8.855 -11.149 7.467 50 1HE LYS 6 1HE LYS 6 10.299 -10.571 9.158 51 2HE LYS 6 2HE LYS 6 9.531 -11.922 10.013 52 1HZ LYS 6 1HZ LYS 6 11.172 -13.420 9.090 53 2HZ LYS 6 2HZ LYS 6 11.957 -12.167 9.927 54 3HZ LYS 6 3HZ LYS 6 11.899 -12.151 8.229 55 H MET 7 H MET 7 7.145 -9.490 7.189 56 HA MET 7 HA MET 7 4.754 -8.054 6.803 57 1HB MET 7 1HB MET 7 6.040 -6.907 5.071 58 2HB MET 7 2HB MET 7 7.126 -7.327 6.394 59 1HG MET 7 1HG MET 7 7.426 -9.550 4.939 60 2HG MET 7 2HG MET 7 6.973 -8.451 3.635 61 1HE MET 7 1HE MET 7 8.121 -7.060 2.562 62 2HE MET 7 2HE MET 7 9.438 -8.198 2.291 63 3HE MET 7 3HE MET 7 9.800 -6.536 2.749 64 HA PRO 8 HA PRO 8 2.492 -10.247 3.735 65 1HB PRO 8 1HB PRO 8 1.545 -8.243 2.127 66 2HB PRO 8 2HB PRO 8 0.919 -8.553 3.759 67 1HG PRO 8 1HG PRO 8 2.862 -6.492 2.838 68 2HG PRO 8 2HG PRO 8 1.557 -6.363 4.028 69 1HD PRO 8 1HD PRO 8 4.169 -6.641 4.714 70 2HD PRO 8 2HD PRO 8 2.829 -7.232 5.719 71 H GLN 9 H GLN 9 2.552 -10.914 1.460 72 HA GLN 9 HA GLN 9 5.186 -10.782 0.268 73 1HB GLN 9 1HB GLN 9 2.488 -11.740 -0.741 74 2HB GLN 9 2HB GLN 9 4.032 -12.097 -1.516 75 1HG GLN 9 1HG GLN 9 4.512 -12.811 1.103 76 2HG GLN 9 2HG GLN 9 2.828 -13.290 0.882 77 1HE2 GLN 9 1HE2 GLN 9 5.955 -13.495 -0.922 78 2HE2 GLN 9 2HE2 GLN 9 5.674 -15.060 -1.516 79 H PHE 10 H PHE 10 2.292 -8.864 -0.054 80 HA PHE 10 HA PHE 10 2.775 -7.822 -2.703 81 1HB PHE 10 1HB PHE 10 0.595 -7.769 -1.624 82 2HB PHE 10 2HB PHE 10 1.240 -6.819 -0.285 83 HD1 PHE 10 HD1 PHE 10 1.352 -4.453 -0.400 84 HD2 PHE 10 HD2 PHE 10 0.647 -6.754 -3.982 85 HE1 PHE 10 HE1 PHE 10 0.888 -2.351 -1.656 86 HE2 PHE 10 HE2 PHE 10 0.182 -4.651 -5.240 87 HZ PHE 10 HZ PHE 10 0.303 -2.450 -4.078 88 H LEU 11 H LEU 11 4.103 -7.084 0.442 89 HA LEU 11 HA LEU 11 5.206 -4.495 -0.538 90 1HB LEU 11 1HB LEU 11 5.020 -5.869 2.157 91 2HB LEU 11 2HB LEU 11 5.847 -4.328 1.914 92 HG LEU 11 HG LEU 11 2.971 -4.802 1.095 93 1HD1 LEU 11 1HD1 LEU 11 3.753 -4.891 3.674 94 2HD1 LEU 11 2HD1 LEU 11 2.229 -4.159 3.168 95 3HD1 LEU 11 3HD1 LEU 11 3.638 -3.143 3.472 96 1HD2 LEU 11 1HD2 LEU 11 4.890 -2.521 1.088 97 2HD2 LEU 11 2HD2 LEU 11 3.221 -2.153 1.521 98 3HD2 LEU 11 3HD2 LEU 11 3.586 -2.894 -0.038 99 H ASN 12 H ASN 12 6.187 -7.233 -1.407 100 HA ASN 12 HA ASN 12 8.808 -7.565 -0.142 101 1HB ASN 12 1HB ASN 12 7.039 -9.089 -1.650 102 2HB ASN 12 2HB ASN 12 8.363 -8.779 -2.775 103 1HD2 ASN 12 1HD2 ASN 12 8.068 -9.577 0.745 104 2HD2 ASN 12 2HD2 ASN 12 9.295 -10.749 0.726 105 H ARG 13 H ARG 13 7.490 -5.729 -2.796 106 HA ARG 13 HA ARG 13 10.088 -5.324 -4.117 107 1HB ARG 13 1HB ARG 13 7.682 -5.446 -5.113 108 2HB ARG 13 2HB ARG 13 7.543 -3.773 -4.573 109 1HG ARG 13 1HG ARG 13 9.547 -3.174 -5.874 110 2HG ARG 13 2HG ARG 13 9.706 -4.847 -6.407 111 1HD ARG 13 1HD ARG 13 7.029 -3.669 -6.866 112 2HD ARG 13 2HD ARG 13 8.342 -2.948 -7.820 113 HE ARG 13 HE ARG 13 8.768 -5.718 -7.928 114 1HH1 ARG 13 1HH1 ARG 13 5.646 -5.315 -7.893 115 2HH1 ARG 13 2HH1 ARG 13 5.327 -5.444 -9.590 116 1HH2 ARG 13 1HH2 ARG 13 8.651 -5.090 -10.512 117 2HH2 ARG 13 2HH2 ARG 13 7.028 -5.316 -11.073 118 H TRP 14 H TRP 14 8.145 -3.781 -1.685 119 HA TRP 14 HA TRP 14 9.167 -1.107 -1.858 120 1HB TRP 14 1HB TRP 14 7.954 -2.829 0.309 121 2HB TRP 14 2HB TRP 14 8.351 -1.136 0.561 122 HD1 TRP 14 HD1 TRP 14 6.959 -2.413 -2.784 123 HE1 TRP 14 HE1 TRP 14 4.638 -1.358 -3.156 124 HE3 TRP 14 HE3 TRP 14 6.355 -0.104 1.707 125 HZ2 TRP 14 HZ2 TRP 14 2.744 0.275 -1.713 126 HZ3 TRP 14 HZ3 TRP 14 4.280 1.199 2.211 127 HH2 TRP 14 HH2 TRP 14 2.480 1.388 0.501 128 HA PRO 15 HA PRO 15 13.233 -1.835 -0.279 129 1HB PRO 15 1HB PRO 15 13.819 0.670 0.643 130 2HB PRO 15 2HB PRO 15 13.835 0.229 -1.074 131 1HG PRO 15 1HG PRO 15 11.761 1.669 0.494 132 2HG PRO 15 2HG PRO 15 12.309 1.938 -1.166 133 1HD PRO 15 1HD PRO 15 9.991 0.638 -0.536 134 2HD PRO 15 2HD PRO 15 10.911 0.337 -2.026 135 H ARG 16 H ARG 16 14.411 -1.858 1.728 136 HA ARG 16 HA ARG 16 12.944 -2.674 4.004 137 1HB ARG 16 1HB ARG 16 15.574 -2.539 3.058 138 2HB ARG 16 2HB ARG 16 15.591 -1.576 4.533 139 1HG ARG 16 1HG ARG 16 14.483 -3.428 5.726 140 2HG ARG 16 2HG ARG 16 14.544 -4.384 4.246 141 1HD ARG 16 1HD ARG 16 16.828 -4.745 4.406 142 2HD ARG 16 2HD ARG 16 17.111 -3.200 5.233 143 HE ARG 16 HE ARG 16 15.672 -5.428 6.619 144 1HH1 ARG 16 1HH1 ARG 16 18.555 -5.753 6.949 145 2HH1 ARG 16 2HH1 ARG 16 18.919 -4.775 8.332 146 1HH2 ARG 16 1HH2 ARG 16 15.951 -2.988 8.182 147 2HH2 ARG 16 2HH2 ARG 16 17.444 -3.210 9.031 148 H GLU 17 H GLU 17 14.445 0.420 3.206 149 HA GLU 17 HA GLU 17 14.099 1.752 5.685 150 1HB GLU 17 1HB GLU 17 14.112 2.738 2.819 151 2HB GLU 17 2HB GLU 17 14.280 3.793 4.224 152 1HG GLU 17 1HG GLU 17 16.205 2.159 4.906 153 2HG GLU 17 2HG GLU 17 16.179 1.693 3.204 154 H VAL 18 H VAL 18 11.908 1.734 2.840 155 HA VAL 18 HA VAL 18 9.923 3.436 4.029 156 HB VAL 18 HB VAL 18 9.845 1.348 1.828 157 1HG1 VAL 18 1HG1 VAL 18 7.859 3.582 2.338 158 2HG1 VAL 18 2HG1 VAL 18 7.579 1.907 2.817 159 3HG1 VAL 18 3HG1 VAL 18 7.756 2.319 1.112 160 1HG2 VAL 18 1HG2 VAL 18 11.369 3.412 1.670 161 2HG2 VAL 18 2HG2 VAL 18 9.884 4.364 1.600 162 3HG2 VAL 18 3HG2 VAL 18 10.229 3.172 0.346 163 H LEU 19 H LEU 19 10.032 -0.141 3.707 164 HA LEU 19 HA LEU 19 7.571 -0.645 5.066 165 1HB LEU 19 1HB LEU 19 10.108 -2.272 4.724 166 2HB LEU 19 2HB LEU 19 8.570 -2.938 5.275 167 HG LEU 19 HG LEU 19 8.851 -1.433 2.665 168 1HD1 LEU 19 1HD1 LEU 19 9.688 -3.268 1.655 169 2HD1 LEU 19 2HD1 LEU 19 8.510 -4.317 2.442 170 3HD1 LEU 19 3HD1 LEU 19 10.016 -3.908 3.264 171 1HD2 LEU 19 1HD2 LEU 19 6.586 -1.758 3.812 172 2HD2 LEU 19 2HD2 LEU 19 6.799 -3.486 3.530 173 3HD2 LEU 19 3HD2 LEU 19 6.706 -2.374 2.165 174 H ASP 20 H ASP 20 10.773 0.079 6.254 175 HA ASP 20 HA ASP 20 10.422 -0.954 8.936 176 1HB ASP 20 1HB ASP 20 12.569 -0.407 7.676 177 2HB ASP 20 2HB ASP 20 12.215 1.295 7.980 178 H LEU 21 H LEU 21 9.472 1.966 7.292 179 HA LEU 21 HA LEU 21 8.924 3.441 9.795 180 1HB LEU 21 1HB LEU 21 9.872 4.481 7.729 181 2HB LEU 21 2HB LEU 21 8.387 4.071 6.872 182 HG LEU 21 HG LEU 21 7.513 5.357 9.194 183 1HD1 LEU 21 1HD1 LEU 21 9.280 6.594 9.883 184 2HD1 LEU 21 2HD1 LEU 21 8.974 7.576 8.450 185 3HD1 LEU 21 3HD1 LEU 21 10.180 6.291 8.397 186 1HD2 LEU 21 1HD2 LEU 21 7.961 6.818 6.602 187 2HD2 LEU 21 2HD2 LEU 21 6.569 6.873 7.683 188 3HD2 LEU 21 3HD2 LEU 21 6.838 5.457 6.666 189 H VAL 22 H VAL 22 7.117 2.033 7.059 190 HA VAL 22 HA VAL 22 4.491 2.749 7.714 191 HB VAL 22 HB VAL 22 5.505 0.070 6.704 192 1HG1 VAL 22 1HG1 VAL 22 3.026 0.408 7.344 193 2HG1 VAL 22 2HG1 VAL 22 3.369 -0.208 5.726 194 3HG1 VAL 22 3HG1 VAL 22 2.949 1.490 5.952 195 1HG2 VAL 22 1HG2 VAL 22 4.693 1.719 4.566 196 2HG2 VAL 22 2HG2 VAL 22 6.342 1.225 4.952 197 3HG2 VAL 22 3HG2 VAL 22 5.699 2.741 5.590 198 H ARG 23 H ARG 23 6.442 0.075 9.039 199 HA ARG 23 HA ARG 23 4.357 -1.131 10.599 200 1HB ARG 23 1HB ARG 23 6.260 -2.247 11.693 201 2HB ARG 23 2HB ARG 23 6.528 -2.163 9.951 202 1HG ARG 23 1HG ARG 23 7.770 0.057 10.464 203 2HG ARG 23 2HG ARG 23 7.808 -0.517 12.130 204 1HD ARG 23 1HD ARG 23 8.866 -2.073 9.741 205 2HD ARG 23 2HD ARG 23 9.867 -1.188 10.910 206 HE ARG 23 HE ARG 23 8.435 -3.702 11.433 207 1HH1 ARG 23 1HH1 ARG 23 11.189 -2.428 12.358 208 2HH1 ARG 23 2HH1 ARG 23 10.913 -2.403 14.067 209 1HH2 ARG 23 1HH2 ARG 23 7.508 -2.998 13.793 210 2HH2 ARG 23 2HH2 ARG 23 8.828 -2.725 14.880 211 H LYS 24 H LYS 24 6.676 1.476 11.310 212 HA LYS 24 HA LYS 24 5.970 1.652 14.131 213 1HB LYS 24 1HB LYS 24 7.893 2.669 12.297 214 2HB LYS 24 2HB LYS 24 7.108 4.060 13.043 215 1HG LYS 24 1HG LYS 24 7.650 2.017 15.027 216 2HG LYS 24 2HG LYS 24 9.127 2.453 14.171 217 1HD LYS 24 1HD LYS 24 9.252 4.356 15.361 218 2HD LYS 24 2HD LYS 24 7.702 4.868 14.695 219 1HE LYS 24 1HE LYS 24 6.744 4.587 16.725 220 2HE LYS 24 2HE LYS 24 7.209 2.875 16.711 221 1HZ LYS 24 1HZ LYS 24 9.527 3.731 17.262 222 2HZ LYS 24 2HZ LYS 24 8.375 3.769 18.509 223 3HZ LYS 24 3HZ LYS 24 8.774 5.194 17.674 224 H VAL 25 H VAL 25 4.608 2.886 11.186 225 HA VAL 25 HA VAL 25 3.194 5.119 12.493 226 HB VAL 25 HB VAL 25 3.184 3.882 9.721 227 1HG1 VAL 25 1HG1 VAL 25 1.020 5.034 10.334 228 2HG1 VAL 25 2HG1 VAL 25 1.878 5.767 8.978 229 3HG1 VAL 25 3HG1 VAL 25 1.950 6.513 10.574 230 1HG2 VAL 25 1HG2 VAL 25 5.271 4.957 10.149 231 2HG2 VAL 25 2HG2 VAL 25 4.490 6.309 10.965 232 3HG2 VAL 25 3HG2 VAL 25 4.325 6.119 9.219 233 H ALA 26 H ALA 26 2.484 1.855 11.303 234 HA ALA 26 HA ALA 26 -0.378 2.005 11.588 235 1HB ALA 26 1HB ALA 26 1.499 -0.374 11.775 236 2HB ALA 26 2HB ALA 26 0.959 0.345 10.258 237 3HB ALA 26 3HB ALA 26 -0.206 -0.418 11.337 238 H GLU 27 H GLU 27 2.257 0.998 13.757 239 HA GLU 27 HA GLU 27 0.546 0.068 15.891 240 1HB GLU 27 1HB GLU 27 3.421 1.018 15.718 241 2HB GLU 27 2HB GLU 27 2.724 0.309 17.176 242 1HG GLU 27 1HG GLU 27 2.409 -1.166 14.589 243 2HG GLU 27 2HG GLU 27 3.978 -1.211 15.394 244 H GLU 28 H GLU 28 1.532 3.236 14.824 245 HA GLU 28 HA GLU 28 1.088 4.533 17.425 246 1HB GLU 28 1HB GLU 28 1.702 5.365 14.593 247 2HB GLU 28 2HB GLU 28 1.274 6.575 15.803 248 1HG GLU 28 1HG GLU 28 3.296 4.578 16.647 249 2HG GLU 28 2HG GLU 28 3.815 5.715 15.401 250 H ASN 29 H ASN 29 -0.545 4.745 14.231 251 HA ASN 29 HA ASN 29 -2.786 6.256 15.013 252 1HB ASN 29 1HB ASN 29 -2.103 4.255 12.910 253 2HB ASN 29 2HB ASN 29 -3.808 4.668 13.095 254 1HD2 ASN 29 1HD2 ASN 29 -0.600 6.048 12.371 255 2HD2 ASN 29 2HD2 ASN 29 -1.189 7.479 11.673 256 H GLY 30 H GLY 30 -2.342 2.711 15.139 257 1HA GLY 30 1HA GLY 30 -3.337 1.577 17.149 258 2HA GLY 30 2HA GLY 30 -4.758 2.594 16.902 259 H ARG 31 H ARG 31 -2.829 0.782 14.516 260 HA ARG 31 HA ARG 31 -4.983 -1.185 14.117 261 1HB ARG 31 1HB ARG 31 -5.432 -0.424 11.813 262 2HB ARG 31 2HB ARG 31 -5.761 0.873 12.961 263 1HG ARG 31 1HG ARG 31 -3.103 1.283 12.423 264 2HG ARG 31 2HG ARG 31 -3.692 0.700 10.866 265 1HD ARG 31 1HD ARG 31 -5.439 2.693 12.200 266 2HD ARG 31 2HD ARG 31 -3.876 3.305 11.626 267 HE ARG 31 HE ARG 31 -4.629 1.870 9.474 268 1HH1 ARG 31 1HH1 ARG 31 -5.061 4.803 9.370 269 2HH1 ARG 31 2HH1 ARG 31 -6.764 4.926 9.083 270 1HH2 ARG 31 1HH2 ARG 31 -7.431 1.659 10.031 271 2HH2 ARG 31 2HH2 ARG 31 -8.106 3.148 9.459 272 H SER 32 H SER 32 -4.204 -1.905 11.479 273 HA SER 32 HA SER 32 -1.495 -3.029 12.009 274 1HB SER 32 1HB SER 32 -3.990 -3.850 10.658 275 2HB SER 32 2HB SER 32 -2.520 -4.288 9.792 276 HG SER 32 HG SER 32 -2.682 -5.912 11.176 277 H VAL 33 H VAL 33 -0.280 -3.383 9.777 278 HA VAL 33 HA VAL 33 0.193 -0.750 8.651 279 HB VAL 33 HB VAL 33 1.192 -3.553 8.082 280 1HG1 VAL 33 1HG1 VAL 33 3.081 -1.658 7.243 281 2HG1 VAL 33 2HG1 VAL 33 1.541 -1.082 6.607 282 3HG1 VAL 33 3HG1 VAL 33 2.106 -2.703 6.211 283 1HG2 VAL 33 1HG2 VAL 33 2.817 -3.120 9.651 284 2HG2 VAL 33 2HG2 VAL 33 1.562 -2.058 10.295 285 3HG2 VAL 33 3HG2 VAL 33 2.852 -1.393 9.289 286 H ASN 34 H ASN 34 -1.835 -3.448 7.820 287 HA ASN 34 HA ASN 34 -2.043 -2.925 4.967 288 1HB ASN 34 1HB ASN 34 -2.631 -5.031 6.325 289 2HB ASN 34 2HB ASN 34 -4.098 -4.181 6.810 290 1HD2 ASN 34 1HD2 ASN 34 -4.067 -6.596 5.157 291 2HD2 ASN 34 2HD2 ASN 34 -4.712 -6.173 3.645 292 H SER 35 H SER 35 -3.531 -1.652 7.875 293 HA SER 35 HA SER 35 -5.653 -0.225 6.408 294 1HB SER 35 1HB SER 35 -4.710 -0.375 9.283 295 2HB SER 35 2HB SER 35 -6.040 0.662 8.778 296 HG SER 35 HG SER 35 -6.650 -1.481 9.515 297 H GLU 36 H GLU 36 -2.507 0.449 7.909 298 HA GLU 36 HA GLU 36 -2.608 3.306 7.812 299 1HB GLU 36 1HB GLU 36 -0.981 1.630 8.949 300 2HB GLU 36 2HB GLU 36 -0.155 1.593 7.392 301 1HG GLU 36 1HG GLU 36 -0.604 4.309 7.908 302 2HG GLU 36 2HG GLU 36 -0.085 3.633 9.451 303 H ILE 37 H ILE 37 -1.119 0.960 5.553 304 HA ILE 37 HA ILE 37 -0.438 2.859 3.517 305 HB ILE 37 HB ILE 37 -1.088 -0.111 3.427 306 1HG1 ILE 37 1HG1 ILE 37 0.733 0.652 5.018 307 2HG1 ILE 37 2HG1 ILE 37 1.265 -0.474 3.774 308 1HG2 ILE 37 1HG2 ILE 37 -0.172 1.803 1.373 309 2HG2 ILE 37 2HG2 ILE 37 -0.952 0.233 1.183 310 3HG2 ILE 37 3HG2 ILE 37 0.785 0.324 1.485 311 1HD1 ILE 37 1HD1 ILE 37 2.093 1.423 2.414 312 2HD1 ILE 37 2HD1 ILE 37 2.864 1.385 4.000 313 3HD1 ILE 37 3HD1 ILE 37 1.575 2.543 3.674 314 H TYR 38 H TYR 38 -3.458 1.345 4.412 315 HA TYR 38 HA TYR 38 -4.796 1.690 1.856 316 1HB TYR 38 1HB TYR 38 -5.458 -0.008 3.461 317 2HB TYR 38 2HB TYR 38 -5.706 1.214 4.710 318 HD1 TYR 38 HD1 TYR 38 -7.947 1.628 5.155 319 HD2 TYR 38 HD2 TYR 38 -6.712 0.819 1.108 320 HE1 TYR 38 HE1 TYR 38 -10.290 1.958 4.379 321 HE2 TYR 38 HE2 TYR 38 -9.056 1.149 0.321 322 HH TYR 38 HH TYR 38 -11.160 2.581 1.377 323 H GLN 39 H GLN 39 -4.520 3.594 4.848 324 HA GLN 39 HA GLN 39 -6.498 5.580 4.035 325 1HB GLN 39 1HB GLN 39 -5.198 4.785 6.357 326 2HB GLN 39 2HB GLN 39 -4.455 6.344 6.007 327 1HG GLN 39 1HG GLN 39 -6.470 6.596 7.427 328 2HG GLN 39 2HG GLN 39 -6.672 7.394 5.868 329 1HE2 GLN 39 1HE2 GLN 39 -6.911 3.871 6.514 330 2HE2 GLN 39 2HE2 GLN 39 -8.539 3.741 6.055 331 H ARG 40 H ARG 40 -2.931 5.603 4.334 332 HA ARG 40 HA ARG 40 -2.429 8.164 3.252 333 1HB ARG 40 1HB ARG 40 -0.857 5.577 2.983 334 2HB ARG 40 2HB ARG 40 -0.188 7.200 2.826 335 1HG ARG 40 1HG ARG 40 -1.576 7.221 5.268 336 2HG ARG 40 2HG ARG 40 -0.730 5.674 5.234 337 1HD ARG 40 1HD ARG 40 1.380 6.911 4.625 338 2HD ARG 40 2HD ARG 40 0.499 8.430 4.889 339 HE ARG 40 HE ARG 40 0.995 6.369 6.998 340 1HH1 ARG 40 1HH1 ARG 40 -1.257 8.710 6.602 341 2HH1 ARG 40 2HH1 ARG 40 -0.740 9.732 7.901 342 1HH2 ARG 40 1HH2 ARG 40 2.240 8.031 8.405 343 2HH2 ARG 40 2HH2 ARG 40 1.241 9.348 8.922 344 H VAL 41 H VAL 41 -3.390 5.191 1.694 345 HA VAL 41 HA VAL 41 -2.706 6.149 -1.019 346 HB VAL 41 HB VAL 41 -3.884 3.658 0.233 347 1HG1 VAL 41 1HG1 VAL 41 -4.977 4.093 -1.991 348 2HG1 VAL 41 2HG1 VAL 41 -3.998 2.624 -1.956 349 3HG1 VAL 41 3HG1 VAL 41 -3.373 4.083 -2.726 350 1HG2 VAL 41 1HG2 VAL 41 -1.811 2.698 -0.208 351 2HG2 VAL 41 2HG2 VAL 41 -1.347 4.365 0.132 352 3HG2 VAL 41 3HG2 VAL 41 -1.465 3.805 -1.536 353 H MET 42 H MET 42 -5.496 5.803 1.098 354 HA MET 42 HA MET 42 -7.536 6.172 -0.918 355 1HB MET 42 1HB MET 42 -7.274 5.673 1.876 356 2HB MET 42 2HB MET 42 -8.319 7.079 1.692 357 1HG MET 42 1HG MET 42 -8.786 4.750 -0.117 358 2HG MET 42 2HG MET 42 -9.296 4.602 1.564 359 1HE MET 42 1HE MET 42 -12.000 6.852 2.228 360 2HE MET 42 2HE MET 42 -10.690 5.790 2.748 361 3HE MET 42 3HE MET 42 -12.050 5.126 1.847 362 H GLU 43 H GLU 43 -6.547 8.417 1.702 363 HA GLU 43 HA GLU 43 -7.804 10.734 0.744 364 1HB GLU 43 1HB GLU 43 -5.384 10.100 2.392 365 2HB GLU 43 2HB GLU 43 -5.671 11.781 1.942 366 1HG GLU 43 1HG GLU 43 -6.744 11.353 4.082 367 2HG GLU 43 2HG GLU 43 -7.991 11.582 2.855 368 H SER 44 H SER 44 -4.807 9.233 -0.350 369 HA SER 44 HA SER 44 -3.631 11.381 -1.771 370 1HB SER 44 1HB SER 44 -3.634 8.416 -1.819 371 2HB SER 44 2HB SER 44 -3.076 9.192 -3.299 372 HG SER 44 HG SER 44 -1.690 10.470 -1.893 373 H PHE 45 H PHE 45 -6.059 8.992 -2.885 374 HA PHE 45 HA PHE 45 -6.332 10.063 -5.537 375 1HB PHE 45 1HB PHE 45 -8.036 8.377 -3.690 376 2HB PHE 45 2HB PHE 45 -8.535 8.746 -5.339 377 HD1 PHE 45 HD1 PHE 45 -7.433 6.090 -3.687 378 HD2 PHE 45 HD2 PHE 45 -5.980 8.678 -6.825 379 HE1 PHE 45 HE1 PHE 45 -6.007 4.242 -4.552 380 HE2 PHE 45 HE2 PHE 45 -4.551 6.827 -7.685 381 HZ PHE 45 HZ PHE 45 -4.572 4.607 -6.555 382 H LYS 46 H LYS 46 -7.785 10.892 -2.437 383 HA LYS 46 HA LYS 46 -9.992 12.445 -3.443 384 1HB LYS 46 1HB LYS 46 -9.358 11.452 -1.082 385 2HB LYS 46 2HB LYS 46 -8.565 13.013 -0.861 386 1HG LYS 46 1HG LYS 46 -10.700 13.487 -0.066 387 2HG LYS 46 2HG LYS 46 -10.850 13.965 -1.757 388 1HD LYS 46 1HD LYS 46 -12.720 12.614 -1.541 389 2HD LYS 46 2HD LYS 46 -11.540 11.420 -2.068 390 1HE LYS 46 1HE LYS 46 -11.290 10.519 0.093 391 2HE LYS 46 2HE LYS 46 -11.930 11.981 0.874 392 1HZ LYS 46 1HZ LYS 46 -13.450 10.098 -0.849 393 2HZ LYS 46 2HZ LYS 46 -14.060 11.561 -0.240 394 3HZ LYS 46 3HZ LYS 46 -13.640 10.305 0.824 395 H LYS 47 H LYS 47 -6.580 13.146 -2.970 396 HA LYS 47 HA LYS 47 -6.711 16.004 -2.903 397 1HB LYS 47 1HB LYS 47 -4.740 14.692 -2.289 398 2HB LYS 47 2HB LYS 47 -4.613 14.066 -3.932 399 1HG LYS 47 1HG LYS 47 -3.824 16.066 -4.785 400 2HG LYS 47 2HG LYS 47 -4.644 17.034 -3.559 401 1HD LYS 47 1HD LYS 47 -2.949 16.790 -2.031 402 2HD LYS 47 2HD LYS 47 -2.529 15.173 -2.596 403 1HE LYS 47 1HE LYS 47 -1.629 16.292 -4.720 404 2HE LYS 47 2HE LYS 47 -1.770 17.829 -3.841 405 1HZ LYS 47 1HZ LYS 47 0.401 16.901 -3.445 406 2HZ LYS 47 2HZ LYS 47 -0.269 15.415 -2.964 407 3HZ LYS 47 3HZ LYS 47 -0.502 16.803 -2.013 408 H GLU 48 H GLU 48 -6.976 13.699 -5.536 409 HA GLU 48 HA GLU 48 -6.949 15.965 -7.500 410 1HB GLU 48 1HB GLU 48 -6.122 13.090 -7.515 411 2HB GLU 48 2HB GLU 48 -6.690 13.790 -9.032 412 1HG GLU 48 1HG GLU 48 -5.022 15.763 -8.150 413 2HG GLU 48 2HG GLU 48 -4.210 14.330 -7.517 414 H GLY 49 H GLY 49 -9.207 14.639 -5.738 415 1HA GLY 49 1HA GLY 49 -11.470 14.129 -6.022 416 2HA GLY 49 2HA GLY 49 -11.360 15.097 -7.493 417 H ARG 50 H ARG 50 -9.301 12.318 -7.205 418 HA ARG 50 HA ARG 50 -10.100 11.109 -9.621 419 1HB ARG 50 1HB ARG 50 -8.559 10.445 -7.204 420 2HB ARG 50 2HB ARG 50 -9.213 9.032 -8.031 421 1HG ARG 50 1HG ARG 50 -7.719 11.227 -9.483 422 2HG ARG 50 2HG ARG 50 -6.916 9.801 -8.824 423 1HD ARG 50 1HD ARG 50 -8.403 8.344 -10.190 424 2HD ARG 50 2HD ARG 50 -9.148 9.796 -10.890 425 HE ARG 50 HE ARG 50 -6.189 9.443 -11.065 426 1HH1 ARG 50 1HH1 ARG 50 -8.946 8.581 -12.748 427 2HH1 ARG 50 2HH1 ARG 50 -8.517 9.375 -14.225 428 1HH2 ARG 50 1HH2 ARG 50 -5.764 10.987 -12.866 429 2HH2 ARG 50 2HH2 ARG 50 -6.713 10.735 -14.294 430 H ILE 51 H ILE 51 -11.050 10.161 -6.297 431 HA ILE 51 HA ILE 51 -13.320 8.596 -7.438 432 HB ILE 51 HB ILE 51 -13.350 7.613 -5.148 433 1HG1 ILE 51 1HG1 ILE 51 -10.870 9.250 -4.603 434 2HG1 ILE 51 2HG1 ILE 51 -12.470 9.810 -4.120 435 1HG2 ILE 51 1HG2 ILE 51 -11.050 7.589 -6.978 436 2HG2 ILE 51 2HG2 ILE 51 -11.940 6.241 -6.276 437 3HG2 ILE 51 3HG2 ILE 51 -10.670 7.038 -5.346 438 1HD1 ILE 51 1HD1 ILE 51 -11.740 7.011 -3.404 439 2HD1 ILE 51 2HD1 ILE 51 -12.710 8.184 -2.511 440 3HD1 ILE 51 3HD1 ILE 51 -10.950 8.304 -2.506 441 H GLY 52 H GLY 52 -15.230 8.667 -5.593 442 1HA GLY 52 1HA GLY 52 -15.750 11.562 -5.045 443 2HA GLY 52 2HA GLY 52 -17.010 10.503 -5.693 444 H ALA 53 H ALA 53 -17.210 8.376 -4.265 445 HA ALA 53 HA ALA 53 -17.420 9.304 -1.423 446 1HB ALA 53 1HB ALA 53 -19.290 8.310 -3.228 447 2HB ALA 53 2HB ALA 53 -19.500 8.379 -1.478 448 3HB ALA 53 3HB ALA 53 -18.900 6.904 -2.237 449 1H MET 1 1H MET 1 -5.800 -23.029 -7.056 450 2H MET 1 2H MET 1 -7.389 -23.176 -7.639 451 3H MET 1 3H MET 1 -6.694 -21.640 -7.439 452 HA MET 1 HA MET 1 -4.955 -22.378 -9.131 453 1HB MET 1 1HB MET 1 -6.096 -24.770 -8.635 454 2HB MET 1 2HB MET 1 -7.055 -24.292 -10.035 455 1HG MET 1 1HG MET 1 -4.178 -23.778 -10.358 456 2HG MET 1 2HG MET 1 -4.570 -25.487 -10.155 457 1HE MET 1 1HE MET 1 -6.575 -26.636 -11.449 458 2HE MET 1 2HE MET 1 -4.936 -26.903 -12.038 459 3HE MET 1 3HE MET 1 -6.246 -26.634 -13.186 460 H LYS 2 H LYS 2 -5.267 -21.316 -11.134 461 HA LYS 2 HA LYS 2 -7.980 -20.711 -12.102 462 1HB LYS 2 1HB LYS 2 -7.623 -18.249 -11.807 463 2HB LYS 2 2HB LYS 2 -7.693 -19.112 -10.269 464 1HG LYS 2 1HG LYS 2 -5.169 -19.236 -10.326 465 2HG LYS 2 2HG LYS 2 -5.213 -18.153 -11.718 466 1HD LYS 2 1HD LYS 2 -5.913 -16.343 -10.466 467 2HD LYS 2 2HD LYS 2 -6.744 -17.352 -9.281 468 1HE LYS 2 1HE LYS 2 -4.791 -16.471 -8.171 469 2HE LYS 2 2HE LYS 2 -4.413 -18.162 -8.558 470 1HZ LYS 2 1HZ LYS 2 -3.321 -17.474 -10.559 471 2HZ LYS 2 2HZ LYS 2 -2.659 -16.586 -9.271 472 3HZ LYS 2 3HZ LYS 2 -3.776 -15.859 -10.323 473 H GLY 3 H GLY 3 -7.560 -18.789 -13.897 474 1HA GLY 3 1HA GLY 3 -5.046 -19.473 -15.353 475 2HA GLY 3 2HA GLY 3 -6.597 -19.532 -16.191 476 H MET 4 H MET 4 -5.325 -17.162 -13.842 477 HA MET 4 HA MET 4 -4.949 -15.102 -15.868 478 1HB MET 4 1HB MET 4 -7.560 -15.650 -14.986 479 2HB MET 4 2HB MET 4 -7.082 -14.194 -14.111 480 1HG MET 4 1HG MET 4 -6.186 -13.957 -16.827 481 2HG MET 4 2HG MET 4 -7.889 -14.414 -16.838 482 1HE MET 4 1HE MET 4 -8.725 -12.264 -17.894 483 2HE MET 4 2HE MET 4 -7.035 -11.806 -18.095 484 3HE MET 4 3HE MET 4 -8.184 -10.643 -17.439 485 H SER 5 H SER 5 -5.137 -12.827 -14.405 486 HA SER 5 HA SER 5 -3.282 -13.339 -12.111 487 1HB SER 5 1HB SER 5 -3.813 -10.918 -13.863 488 2HB SER 5 2HB SER 5 -2.642 -10.958 -12.549 489 HG SER 5 HG SER 5 -1.711 -11.424 -14.605 490 H LYS 6 H LYS 6 -3.991 -12.836 -10.069 491 HA LYS 6 HA LYS 6 -6.528 -11.254 -9.821 492 1HB LYS 6 1HB LYS 6 -5.431 -13.727 -8.587 493 2HB LYS 6 2HB LYS 6 -6.320 -12.654 -7.505 494 1HG LYS 6 1HG LYS 6 -7.412 -13.527 -10.189 495 2HG LYS 6 2HG LYS 6 -7.723 -14.417 -8.699 496 1HD LYS 6 1HD LYS 6 -9.288 -12.930 -8.053 497 2HD LYS 6 2HD LYS 6 -8.192 -11.576 -8.329 498 1HE LYS 6 1HE LYS 6 -9.680 -11.057 -10.002 499 2HE LYS 6 2HE LYS 6 -8.797 -12.301 -10.907 500 1HZ LYS 6 1HZ LYS 6 -10.300 -13.971 -10.049 501 2HZ LYS 6 2HZ LYS 6 -11.190 -12.760 -10.841 502 3HZ LYS 6 3HZ LYS 6 -11.130 -12.805 -9.144 503 H MET 7 H MET 7 -6.635 -9.782 -7.988 504 HA MET 7 HA MET 7 -4.379 -8.163 -7.529 505 1HB MET 7 1HB MET 7 -5.760 -7.200 -5.763 506 2HB MET 7 2HB MET 7 -6.805 -7.663 -7.105 507 1HG MET 7 1HG MET 7 -6.909 -9.956 -5.735 508 2HG MET 7 2HG MET 7 -6.553 -8.874 -4.388 509 1HE MET 7 1HE MET 7 -7.820 -7.636 -3.263 510 2HE MET 7 2HE MET 7 -9.035 -8.894 -3.043 511 3HE MET 7 3HE MET 7 -9.538 -7.251 -3.435 512 HA PRO 8 HA PRO 8 -1.939 -10.275 -4.542 513 1HB PRO 8 1HB PRO 8 -1.168 -8.263 -2.852 514 2HB PRO 8 2HB PRO 8 -0.519 -8.452 -4.493 515 1HG PRO 8 1HG PRO 8 -2.634 -6.608 -3.495 516 2HG PRO 8 2HG PRO 8 -1.344 -6.314 -4.672 517 1HD PRO 8 1HD PRO 8 -3.921 -6.790 -5.381 518 2HD PRO 8 2HD PRO 8 -2.534 -7.224 -6.404 519 H GLN 9 H GLN 9 -1.935 -11.031 -2.293 520 HA GLN 9 HA GLN 9 -4.573 -11.178 -1.108 521 1HB GLN 9 1HB GLN 9 -1.803 -11.941 -0.126 522 2HB GLN 9 2HB GLN 9 -3.311 -12.460 0.627 523 1HG GLN 9 1HG GLN 9 -3.726 -13.106 -2.021 524 2HG GLN 9 2HG GLN 9 -2.008 -13.447 -1.811 525 1HE2 GLN 9 1HE2 GLN 9 -5.105 -13.995 -0.027 526 2HE2 GLN 9 2HE2 GLN 9 -4.690 -15.554 0.501 527 H PHE 10 H PHE 10 -1.863 -9.025 -0.700 528 HA PHE 10 HA PHE 10 -2.436 -8.139 1.989 529 1HB PHE 10 1HB PHE 10 -0.264 -7.857 0.930 530 2HB PHE 10 2HB PHE 10 -0.980 -6.915 -0.377 531 HD1 PHE 10 HD1 PHE 10 -1.300 -4.574 -0.171 532 HD2 PHE 10 HD2 PHE 10 -0.402 -6.940 3.325 533 HE1 PHE 10 HE1 PHE 10 -1.020 -2.490 1.164 534 HE2 PHE 10 HE2 PHE 10 -0.123 -4.853 4.662 535 HZ PHE 10 HZ PHE 10 -0.431 -2.628 3.582 536 H LEU 11 H LEU 11 -3.818 -7.398 -1.132 537 HA LEU 11 HA LEU 11 -5.140 -4.952 -0.057 538 1HB LEU 11 1HB LEU 11 -4.830 -6.198 -2.801 539 2HB LEU 11 2HB LEU 11 -5.791 -4.747 -2.505 540 HG LEU 11 HG LEU 11 -2.887 -4.998 -1.690 541 1HD1 LEU 11 1HD1 LEU 11 -3.658 -5.049 -4.274 542 2HD1 LEU 11 2HD1 LEU 11 -2.202 -4.209 -3.731 543 3HD1 LEU 11 3HD1 LEU 11 -3.693 -3.305 -4.000 544 1HD2 LEU 11 1HD2 LEU 11 -4.998 -2.894 -1.600 545 2HD2 LEU 11 2HD2 LEU 11 -3.365 -2.366 -2.008 546 3HD2 LEU 11 3HD2 LEU 11 -3.668 -3.198 -0.483 547 H ASN 12 H ASN 12 -5.880 -7.795 0.701 548 HA ASN 12 HA ASN 12 -8.459 -8.307 -0.586 549 1HB ASN 12 1HB ASN 12 -6.565 -9.728 0.865 550 2HB ASN 12 2HB ASN 12 -7.907 -9.579 1.999 551 1HD2 ASN 12 1HD2 ASN 12 -7.558 -10.209 -1.549 552 2HD2 ASN 12 2HD2 ASN 12 -8.677 -11.484 -1.575 553 H ARG 13 H ARG 13 -7.311 -6.468 2.141 554 HA ARG 13 HA ARG 13 -9.935 -6.347 3.469 555 1HB ARG 13 1HB ARG 13 -7.529 -6.299 4.469 556 2HB ARG 13 2HB ARG 13 -7.535 -4.600 3.996 557 1HG ARG 13 1HG ARG 13 -9.581 -4.228 5.313 558 2HG ARG 13 2HG ARG 13 -9.595 -5.929 5.779 559 1HD ARG 13 1HD ARG 13 -7.030 -4.546 6.293 560 2HD ARG 13 2HD ARG 13 -8.399 -3.976 7.271 561 HE ARG 13 HE ARG 13 -8.587 -6.775 7.270 562 1HH1 ARG 13 1HH1 ARG 13 -5.511 -6.098 7.261 563 2HH1 ARG 13 2HH1 ARG 13 -5.182 -6.268 8.954 564 1HH2 ARG 13 1HH2 ARG 13 -8.525 -6.242 9.876 565 2HH2 ARG 13 2HH2 ARG 13 -6.888 -6.346 10.434 566 H TRP 14 H TRP 14 -8.134 -4.543 1.111 567 HA TRP 14 HA TRP 14 -9.382 -1.975 1.388 568 1HB TRP 14 1HB TRP 14 -8.022 -3.496 -0.840 569 2HB TRP 14 2HB TRP 14 -8.566 -1.836 -1.028 570 HD1 TRP 14 HD1 TRP 14 -7.076 -3.111 2.275 571 HE1 TRP 14 HE1 TRP 14 -4.854 -1.874 2.696 572 HE3 TRP 14 HE3 TRP 14 -6.667 -0.599 -2.125 573 HZ2 TRP 14 HZ2 TRP 14 -3.108 -0.031 1.322 574 HZ3 TRP 14 HZ3 TRP 14 -4.714 0.896 -2.572 575 HH2 TRP 14 HH2 TRP 14 -2.940 1.182 -0.849 576 HA PRO 15 HA PRO 15 -13.360 -2.990 -0.245 577 1HB PRO 15 1HB PRO 15 -14.170 -0.511 -1.058 578 2HB PRO 15 2HB PRO 15 -14.140 -1.026 0.637 579 1HG PRO 15 1HG PRO 15 -12.210 0.666 -0.859 580 2HG PRO 15 2HG PRO 15 -12.770 0.804 0.814 581 1HD PRO 15 1HD PRO 15 -10.350 -0.252 0.105 582 2HD PRO 15 2HD PRO 15 -11.220 -0.690 1.592 583 H ARG 16 H ARG 16 -14.530 -3.050 -2.252 584 HA ARG 16 HA ARG 16 -13.000 -3.629 -4.558 585 1HB ARG 16 1HB ARG 16 -15.640 -3.754 -3.614 586 2HB ARG 16 2HB ARG 16 -15.730 -2.747 -5.055 587 1HG ARG 16 1HG ARG 16 -14.460 -4.456 -6.301 588 2HG ARG 16 2HG ARG 16 -14.450 -5.464 -4.855 589 1HD ARG 16 1HD ARG 16 -16.690 -6.014 -5.051 590 2HD ARG 16 2HD ARG 16 -17.110 -4.468 -5.816 591 HE ARG 16 HE ARG 16 -15.480 -6.504 -7.281 592 1HH1 ARG 16 1HH1 ARG 16 -18.320 -7.061 -7.634 593 2HH1 ARG 16 2HH1 ARG 16 -18.760 -6.066 -8.981 594 1HH2 ARG 16 1HH2 ARG 16 -15.960 -4.036 -8.747 595 2HH2 ARG 16 2HH2 ARG 16 -17.430 -4.355 -9.610 596 H GLU 17 H GLU 17 -14.760 -0.711 -3.635 597 HA GLU 17 HA GLU 17 -14.530 0.744 -6.059 598 1HB GLU 17 1HB GLU 17 -14.640 1.609 -3.156 599 2HB GLU 17 2HB GLU 17 -14.900 2.700 -4.517 600 1HG GLU 17 1HG GLU 17 -16.670 0.934 -5.272 601 2HG GLU 17 2HG GLU 17 -16.610 0.404 -3.592 602 H VAL 18 H VAL 18 -12.350 0.799 -3.206 603 HA VAL 18 HA VAL 18 -10.520 2.713 -4.321 604 HB VAL 18 HB VAL 18 -10.250 0.558 -2.199 605 1HG1 VAL 18 1HG1 VAL 18 -8.480 2.974 -2.633 606 2HG1 VAL 18 2HG1 VAL 18 -8.053 1.346 -3.156 607 3HG1 VAL 18 3HG1 VAL 18 -8.266 1.692 -1.440 608 1HG2 VAL 18 1HG2 VAL 18 -11.960 2.469 -1.962 609 2HG2 VAL 18 2HG2 VAL 18 -10.570 3.549 -1.861 610 3HG2 VAL 18 3HG2 VAL 18 -10.790 2.289 -0.650 611 H LEU 19 H LEU 19 -10.320 -0.871 -4.140 612 HA LEU 19 HA LEU 19 -7.831 -1.109 -5.509 613 1HB LEU 19 1HB LEU 19 -10.210 -2.959 -5.239 614 2HB LEU 19 2HB LEU 19 -8.632 -3.469 -5.811 615 HG LEU 19 HG LEU 19 -9.044 -2.102 -3.145 616 1HD1 LEU 19 1HD1 LEU 19 -9.718 -4.045 -2.219 617 2HD1 LEU 19 2HD1 LEU 19 -8.435 -4.942 -3.025 618 3HD1 LEU 19 3HD1 LEU 19 -9.964 -4.655 -3.855 619 1HD2 LEU 19 1HD2 LEU 19 -6.760 -2.162 -4.294 620 2HD2 LEU 19 2HD2 LEU 19 -6.809 -3.913 -4.092 621 3HD2 LEU 19 3HD2 LEU 19 -6.819 -2.863 -2.676 622 H ASP 20 H ASP 20 -11.080 -0.602 -6.678 623 HA ASP 20 HA ASP 20 -10.640 -1.499 -9.400 624 1HB ASP 20 1HB ASP 20 -12.820 -1.182 -8.122 625 2HB ASP 20 2HB ASP 20 -12.620 0.551 -8.374 626 H LEU 21 H LEU 21 -9.948 1.424 -7.635 627 HA LEU 21 HA LEU 21 -9.528 3.041 -10.073 628 1HB LEU 21 1HB LEU 21 -10.560 3.904 -7.967 629 2HB LEU 21 2HB LEU 21 -9.042 3.597 -7.129 630 HG LEU 21 HG LEU 21 -8.295 5.046 -9.400 631 1HD1 LEU 21 1HD1 LEU 21 -10.150 6.163 -10.036 632 2HD1 LEU 21 2HD1 LEU 21 -9.960 7.088 -8.546 633 3HD1 LEU 21 3HD1 LEU 21 -11.030 5.691 -8.583 634 1HD2 LEU 21 1HD2 LEU 21 -8.859 6.357 -6.749 635 2HD2 LEU 21 2HD2 LEU 21 -7.486 6.583 -7.832 636 3HD2 LEU 21 3HD2 LEU 21 -7.618 5.108 -6.872 637 H VAL 22 H VAL 22 -7.605 1.677 -7.395 638 HA VAL 22 HA VAL 22 -5.051 2.649 -8.010 639 HB VAL 22 HB VAL 22 -5.829 -0.148 -7.112 640 1HG1 VAL 22 1HG1 VAL 22 -3.386 0.433 -7.725 641 2HG1 VAL 22 2HG1 VAL 22 -3.679 -0.286 -6.142 642 3HG1 VAL 22 3HG1 VAL 22 -3.407 1.451 -6.287 643 1HG2 VAL 22 1HG2 VAL 22 -5.163 1.480 -4.906 644 2HG2 VAL 22 2HG2 VAL 22 -6.763 0.861 -5.320 645 3HG2 VAL 22 3HG2 VAL 22 -6.255 2.449 -5.895 646 H ARG 23 H ARG 23 -6.755 -0.133 -9.445 647 HA ARG 23 HA ARG 23 -4.579 -1.086 -11.049 648 1HB ARG 23 1HB ARG 23 -6.383 -2.312 -12.194 649 2HB ARG 23 2HB ARG 23 -6.649 -2.326 -10.449 650 1HG ARG 23 1HG ARG 23 -8.082 -0.205 -10.859 651 2HG ARG 23 2HG ARG 23 -8.074 -0.700 -12.552 652 1HD ARG 23 1HD ARG 23 -8.991 -2.449 -10.238 653 2HD ARG 23 2HD ARG 23 -10.060 -1.607 -11.377 654 HE ARG 23 HE ARG 23 -8.406 -3.956 -11.994 655 1HH1 ARG 23 1HH1 ARG 23 -11.260 -2.897 -12.872 656 2HH1 ARG 23 2HH1 ARG 23 -11.000 -2.784 -14.580 657 1HH2 ARG 23 1HH2 ARG 23 -7.553 -3.083 -14.320 658 2HH2 ARG 23 2HH2 ARG 23 -8.893 -2.889 -15.401 659 H LYS 24 H LYS 24 -7.119 1.336 -11.664 660 HA LYS 24 HA LYS 24 -6.432 1.684 -14.474 661 1HB LYS 24 1HB LYS 24 -8.434 2.458 -12.605 662 2HB LYS 24 2HB LYS 24 -7.772 3.939 -13.291 663 1HG LYS 24 1HG LYS 24 -8.138 1.938 -15.357 664 2HG LYS 24 2HG LYS 24 -9.647 2.218 -14.489 665 1HD LYS 24 1HD LYS 24 -9.926 4.149 -15.606 666 2HD LYS 24 2HD LYS 24 -8.422 4.758 -14.917 667 1HE LYS 24 1HE LYS 24 -7.449 4.636 -16.956 668 2HE LYS 24 2HE LYS 24 -7.769 2.892 -17.004 669 1HZ LYS 24 1HZ LYS 24 -10.140 3.543 -17.545 670 2HZ LYS 24 2HZ LYS 24 -8.997 3.781 -18.779 671 3HZ LYS 24 3HZ LYS 24 -9.547 5.100 -17.860 672 H VAL 25 H VAL 25 -5.183 2.918 -11.476 673 HA VAL 25 HA VAL 25 -3.964 5.311 -12.692 674 HB VAL 25 HB VAL 25 -3.845 3.974 -9.969 675 1HG1 VAL 25 1HG1 VAL 25 -1.789 5.330 -10.532 676 2HG1 VAL 25 2HG1 VAL 25 -2.707 5.936 -9.153 677 3HG1 VAL 25 3HG1 VAL 25 -2.843 6.732 -10.721 678 1HG2 VAL 25 1HG2 VAL 25 -6.019 4.884 -10.379 679 2HG2 VAL 25 2HG2 VAL 25 -5.345 6.340 -11.112 680 3HG2 VAL 25 3HG2 VAL 25 -5.180 6.068 -9.376 681 H ALA 26 H ALA 26 -2.968 2.079 -11.624 682 HA ALA 26 HA ALA 26 -0.132 2.489 -11.895 683 1HB ALA 26 1HB ALA 26 -1.797 -0.034 -12.180 684 2HB ALA 26 2HB ALA 26 -1.315 0.667 -10.634 685 3HB ALA 26 3HB ALA 26 -0.092 0.050 -11.743 686 H GLU 27 H GLU 27 -2.665 1.331 -14.108 687 HA GLU 27 HA GLU 27 -0.885 0.646 -16.274 688 1HB GLU 27 1HB GLU 27 -3.828 1.340 -16.064 689 2HB GLU 27 2HB GLU 27 -3.080 0.754 -17.549 690 1HG GLU 27 1HG GLU 27 -2.633 -0.794 -15.025 691 2HG GLU 27 2HG GLU 27 -4.192 -0.942 -15.835 692 H GLU 28 H GLU 28 -2.152 3.669 -15.090 693 HA GLU 28 HA GLU 28 -1.818 5.111 -17.627 694 1HB GLU 28 1HB GLU 28 -2.501 5.759 -14.764 695 2HB GLU 28 2HB GLU 28 -2.178 7.055 -15.915 696 1HG GLU 28 1HG GLU 28 -4.023 4.930 -16.855 697 2HG GLU 28 2HG GLU 28 -4.636 5.968 -15.567 698 H ASN 29 H ASN 29 -0.209 5.329 -14.420 699 HA ASN 29 HA ASN 29 1.894 7.061 -15.132 700 1HB ASN 29 1HB ASN 29 1.383 4.924 -13.113 701 2HB ASN 29 2HB ASN 29 3.046 5.489 -13.274 702 1HD2 ASN 29 1HD2 ASN 29 -0.267 6.559 -12.507 703 2HD2 ASN 29 2HD2 ASN 29 0.198 8.007 -11.751 704 H GLY 30 H GLY 30 1.757 3.499 -15.402 705 1HA GLY 30 1HA GLY 30 2.853 2.536 -17.448 706 2HA GLY 30 2HA GLY 30 4.180 3.662 -17.156 707 H ARG 31 H ARG 31 2.412 1.594 -14.853 708 HA ARG 31 HA ARG 31 4.727 -0.193 -14.521 709 1HB ARG 31 1HB ARG 31 5.110 0.515 -12.189 710 2HB ARG 31 2HB ARG 31 5.325 1.878 -13.286 711 1HG ARG 31 1HG ARG 31 2.641 2.037 -12.741 712 2HG ARG 31 2HG ARG 31 3.280 1.446 -11.206 713 1HD ARG 31 1HD ARG 31 4.850 3.632 -12.452 714 2HD ARG 31 2HD ARG 31 3.237 4.086 -11.868 715 HE ARG 31 HE ARG 31 4.100 2.644 -9.764 716 1HH1 ARG 31 1HH1 ARG 31 4.288 5.593 -9.541 717 2HH1 ARG 31 2HH1 ARG 31 5.975 5.847 -9.241 718 1HH2 ARG 31 1HH2 ARG 31 6.914 2.690 -10.321 719 2HH2 ARG 31 2HH2 ARG 31 7.461 4.205 -9.686 720 H SER 32 H SER 32 4.016 -1.082 -11.916 721 HA SER 32 HA SER 32 1.415 -2.413 -12.502 722 1HB SER 32 1HB SER 32 3.968 -3.068 -11.167 723 2HB SER 32 2HB SER 32 2.540 -3.665 -10.330 724 HG SER 32 HG SER 32 2.853 -5.214 -11.775 725 H VAL 33 H VAL 33 0.232 -2.958 -10.290 726 HA VAL 33 HA VAL 33 -0.466 -0.421 -9.065 727 HB VAL 33 HB VAL 33 -1.224 -3.320 -8.611 728 1HG1 VAL 33 1HG1 VAL 33 -3.267 -1.619 -7.711 729 2HG1 VAL 33 2HG1 VAL 33 -1.780 -0.946 -7.042 730 3HG1 VAL 33 3HG1 VAL 33 -2.214 -2.624 -6.714 731 1HG2 VAL 33 1HG2 VAL 33 -2.874 -2.967 -10.174 732 2HG2 VAL 33 2HG2 VAL 33 -1.714 -1.774 -10.766 733 3HG2 VAL 33 3HG2 VAL 33 -3.060 -1.265 -9.744 734 H ASN 34 H ASN 34 1.790 -2.962 -8.333 735 HA ASN 34 HA ASN 34 1.952 -2.538 -5.460 736 1HB ASN 34 1HB ASN 34 2.718 -4.530 -6.901 737 2HB ASN 34 2HB ASN 34 4.105 -3.538 -7.345 738 1HD2 ASN 34 1HD2 ASN 34 4.283 -6.013 -5.792 739 2HD2 ASN 34 2HD2 ASN 34 4.890 -5.598 -4.262 740 H SER 35 H SER 35 3.325 -1.030 -8.314 741 HA SER 35 HA SER 35 5.312 0.517 -6.783 742 1HB SER 35 1HB SER 35 4.388 0.403 -9.666 743 2HB SER 35 2HB SER 35 5.627 1.525 -9.112 744 HG SER 35 HG SER 35 6.406 -0.536 -9.931 745 H GLU 36 H GLU 36 2.120 0.975 -8.269 746 HA GLU 36 HA GLU 36 1.973 3.823 -8.056 747 1HB GLU 36 1HB GLU 36 0.496 2.063 -9.267 748 2HB GLU 36 2HB GLU 36 -0.322 1.886 -7.714 749 1HG GLU 36 1HG GLU 36 -0.115 4.651 -8.109 750 2HG GLU 36 2HG GLU 36 -0.570 4.001 -9.683 751 H ILE 37 H ILE 37 0.690 1.271 -5.898 752 HA ILE 37 HA ILE 37 -0.154 3.018 -3.792 753 HB ILE 37 HB ILE 37 0.760 0.118 -3.818 754 1HG1 ILE 37 1HG1 ILE 37 -1.123 0.774 -5.385 755 2HG1 ILE 37 2HG1 ILE 37 -1.553 -0.442 -4.184 756 1HG2 ILE 37 1HG2 ILE 37 -0.316 1.861 -1.693 757 2HG2 ILE 37 2HG2 ILE 37 0.594 0.356 -1.563 758 3HG2 ILE 37 3HG2 ILE 37 -1.144 0.312 -1.863 759 1HD1 ILE 37 1HD1 ILE 37 -2.548 1.319 -2.760 760 2HD1 ILE 37 2HD1 ILE 37 -3.311 1.277 -4.349 761 3HD1 ILE 37 3HD1 ILE 37 -2.129 2.530 -3.973 762 H TYR 38 H TYR 38 2.988 1.811 -4.733 763 HA TYR 38 HA TYR 38 4.285 2.170 -2.160 764 1HB TYR 38 1HB TYR 38 5.094 0.600 -3.828 765 2HB TYR 38 2HB TYR 38 5.240 1.886 -5.026 766 HD1 TYR 38 HD1 TYR 38 7.429 2.513 -5.444 767 HD2 TYR 38 HD2 TYR 38 6.271 1.436 -1.437 768 HE1 TYR 38 HE1 TYR 38 9.739 3.020 -4.646 769 HE2 TYR 38 HE2 TYR 38 8.577 1.940 -0.629 770 HH TYR 38 HH TYR 38 10.543 3.572 -1.582 771 H GLN 39 H GLN 39 3.848 4.160 -5.076 772 HA GLN 39 HA GLN 39 5.644 6.277 -4.176 773 1HB GLN 39 1HB GLN 39 4.425 5.463 -6.534 774 2HB GLN 39 2HB GLN 39 3.548 6.938 -6.131 775 1HG GLN 39 1HG GLN 39 5.540 7.415 -7.528 776 2HG GLN 39 2HG GLN 39 5.665 8.170 -5.938 777 1HE2 GLN 39 1HE2 GLN 39 6.214 4.711 -6.724 778 2HE2 GLN 39 2HE2 GLN 39 7.844 4.703 -6.254 779 H ARG 40 H ARG 40 2.086 6.003 -4.487 780 HA ARG 40 HA ARG 40 1.368 8.468 -3.305 781 1HB ARG 40 1HB ARG 40 0.020 5.748 -3.137 782 2HB ARG 40 2HB ARG 40 -0.781 7.305 -2.931 783 1HG ARG 40 1HG ARG 40 0.604 7.521 -5.364 784 2HG ARG 40 2HG ARG 40 -0.109 5.908 -5.384 785 1HD ARG 40 1HD ARG 40 -2.317 6.939 -4.749 786 2HD ARG 40 2HD ARG 40 -1.569 8.536 -4.947 787 HE ARG 40 HE ARG 40 -1.880 6.525 -7.140 788 1HH1 ARG 40 1HH1 ARG 40 0.155 9.034 -6.638 789 2HH1 ARG 40 2HH1 ARG 40 -0.448 10.062 -7.894 790 1HH2 ARG 40 1HH2 ARG 40 -3.269 8.134 -8.481 791 2HH2 ARG 40 2HH2 ARG 40 -2.386 9.552 -8.937 792 H VAL 41 H VAL 41 2.586 5.528 -1.865 793 HA VAL 41 HA VAL 41 1.818 6.315 0.882 794 HB VAL 41 HB VAL 41 3.212 3.987 -0.462 795 1HG1 VAL 41 1HG1 VAL 41 4.258 4.427 1.785 796 2HG1 VAL 41 2HG1 VAL 41 3.414 2.881 1.684 797 3HG1 VAL 41 3HG1 VAL 41 2.659 4.245 2.509 798 1HG2 VAL 41 1HG2 VAL 41 1.230 2.832 -0.065 799 2HG2 VAL 41 2HG2 VAL 41 0.625 4.463 -0.354 800 3HG2 VAL 41 3HG2 VAL 41 0.784 3.861 1.296 801 H MET 42 H MET 42 4.633 6.288 -1.232 802 HA MET 42 HA MET 42 6.630 6.757 0.803 803 1HB MET 42 1HB MET 42 6.412 6.348 -2.011 804 2HB MET 42 2HB MET 42 7.335 7.827 -1.766 805 1HG MET 42 1HG MET 42 7.994 5.474 -0.050 806 2HG MET 42 2HG MET 42 8.519 5.440 -1.735 807 1HE MET 42 1HE MET 42 11.014 7.946 -2.293 808 2HE MET 42 2HE MET 42 9.807 6.795 -2.861 809 3HE MET 42 3HE MET 42 11.223 6.216 -1.988 810 H GLU 43 H GLU 43 5.441 9.007 -1.732 811 HA GLU 43 HA GLU 43 6.498 11.384 -0.679 812 1HB GLU 43 1HB GLU 43 4.144 10.608 -2.363 813 2HB GLU 43 2HB GLU 43 4.281 12.290 -1.845 814 1HG GLU 43 1HG GLU 43 5.394 12.044 -3.994 815 2HG GLU 43 2HG GLU 43 6.614 12.326 -2.752 816 H SER 44 H SER 44 3.638 9.589 0.341 817 HA SER 44 HA SER 44 2.282 11.566 1.843 818 1HB SER 44 1HB SER 44 2.546 8.615 1.775 819 2HB SER 44 2HB SER 44 1.926 9.280 3.284 820 HG SER 44 HG SER 44 0.429 10.487 1.925 821 H PHE 45 H PHE 45 4.907 9.353 2.876 822 HA PHE 45 HA PHE 45 5.079 10.341 5.567 823 1HB PHE 45 1HB PHE 45 6.930 8.884 3.669 824 2HB PHE 45 2HB PHE 45 7.390 9.230 5.334 825 HD1 PHE 45 HD1 PHE 45 6.527 6.558 3.566 826 HD2 PHE 45 HD2 PHE 45 4.854 8.880 6.802 827 HE1 PHE 45 HE1 PHE 45 5.265 4.560 4.349 828 HE2 PHE 45 HE2 PHE 45 3.589 6.879 7.578 829 HZ PHE 45 HZ PHE 45 3.801 4.716 6.357 830 H LYS 46 H LYS 46 6.462 11.416 2.508 831 HA LYS 46 HA LYS 46 8.524 13.113 3.587 832 1HB LYS 46 1HB LYS 46 7.986 12.165 1.183 833 2HB LYS 46 2HB LYS 46 7.060 13.659 1.020 834 1HG LYS 46 1HG LYS 46 9.147 14.352 0.259 835 2HG LYS 46 2HG LYS 46 9.260 14.768 1.970 836 1HD LYS 46 1HD LYS 46 11.241 13.593 1.704 837 2HD LYS 46 2HD LYS 46 10.159 12.281 2.176 838 1HE LYS 46 1HE LYS 46 9.995 11.452 -0.020 839 2HE LYS 46 2HE LYS 46 10.501 12.994 -0.738 840 1HZ LYS 46 1HZ LYS 46 12.182 11.180 0.911 841 2HZ LYS 46 2HZ LYS 46 12.666 12.713 0.363 842 3HZ LYS 46 3HZ LYS 46 12.351 11.470 -0.752 843 H LYS 47 H LYS 47 5.068 13.530 3.126 844 HA LYS 47 HA LYS 47 4.949 16.390 3.167 845 1HB LYS 47 1HB LYS 47 3.096 14.938 2.496 846 2HB LYS 47 2HB LYS 47 3.025 14.242 4.115 847 1HG LYS 47 1HG LYS 47 2.069 16.135 5.040 848 2HG LYS 47 2HG LYS 47 2.806 17.212 3.853 849 1HD LYS 47 1HD LYS 47 1.133 16.890 2.317 850 2HD LYS 47 2HD LYS 47 0.859 15.220 2.811 851 1HE LYS 47 1HE LYS 47 -0.134 16.163 4.977 852 2HE LYS 47 2HE LYS 47 -0.130 17.742 4.167 853 1HZ LYS 47 1HZ LYS 47 -2.210 16.649 3.722 854 2HZ LYS 47 2HZ LYS 47 -1.415 15.247 3.185 855 3HZ LYS 47 3HZ LYS 47 -1.303 16.687 2.290 856 H GLU 48 H GLU 48 5.409 14.014 5.708 857 HA GLU 48 HA GLU 48 5.188 16.188 7.760 858 1HB GLU 48 1HB GLU 48 4.612 13.255 7.658 859 2HB GLU 48 2HB GLU 48 5.117 13.941 9.203 860 1HG GLU 48 1HG GLU 48 3.287 15.797 8.396 861 2HG GLU 48 2HG GLU 48 2.599 14.328 7.702 862 H GLY 49 H GLY 49 7.551 15.136 5.955 863 1HA GLY 49 1HA GLY 49 9.856 14.807 6.225 864 2HA GLY 49 2HA GLY 49 9.668 15.709 7.728 865 H ARG 50 H ARG 50 7.849 12.774 7.332 866 HA ARG 50 HA ARG 50 8.758 11.545 9.703 867 1HB ARG 50 1HB ARG 50 7.277 10.844 7.254 868 2HB ARG 50 2HB ARG 50 8.051 9.464 8.032 869 1HG ARG 50 1HG ARG 50 6.373 11.463 9.560 870 2HG ARG 50 2HG ARG 50 5.693 10.002 8.843 871 1HD ARG 50 1HD ARG 50 7.299 8.624 10.153 872 2HD ARG 50 2HD ARG 50 7.916 10.105 10.915 873 HE ARG 50 HE ARG 50 4.999 9.494 11.062 874 1HH1 ARG 50 1HH1 ARG 50 7.820 8.806 12.719 875 2HH1 ARG 50 2HH1 ARG 50 7.319 9.495 14.227 876 1HH2 ARG 50 1HH2 ARG 50 4.440 10.920 12.920 877 2HH2 ARG 50 2HH2 ARG 50 5.403 10.691 14.342 878 H ILE 51 H ILE 51 9.786 10.821 6.345 879 HA ILE 51 HA ILE 51 12.184 9.416 7.432 880 HB ILE 51 HB ILE 51 12.296 8.527 5.107 881 1HG1 ILE 51 1HG1 ILE 51 9.679 9.959 4.614 882 2HG1 ILE 51 2HG1 ILE 51 11.225 10.681 4.165 883 1HG2 ILE 51 1HG2 ILE 51 9.997 8.240 6.926 884 2HG2 ILE 51 2HG2 ILE 51 11.002 6.998 6.182 885 3HG2 ILE 51 3HG2 ILE 51 9.673 7.719 5.273 886 1HD1 ILE 51 1HD1 ILE 51 10.752 7.859 3.332 887 2HD1 ILE 51 2HD1 ILE 51 11.612 9.149 2.493 888 3HD1 ILE 51 3HD1 ILE 51 9.848 9.112 2.480 889 H GLY 52 H GLY 52 14.080 9.724 5.600 890 1HA GLY 52 1HA GLY 52 14.350 12.673 5.170 891 2HA GLY 52 2HA GLY 52 15.689 11.701 5.778 892 H ALA 53 H ALA 53 16.068 9.654 4.266 893 HA ALA 53 HA ALA 53 16.209 10.714 1.466 894 1HB ALA 53 1HB ALA 53 18.147 9.816 3.242 895 2HB ALA 53 2HB ALA 53 18.355 9.967 1.496 896 3HB ALA 53 3HB ALA 53 17.884 8.419 2.198 Start of MODEL 12 1 1H MET 1 1H MET 1 14.915 -17.477 12.955 2 2H MET 1 2H MET 1 16.205 -16.848 13.865 3 3H MET 1 3H MET 1 15.922 -18.522 13.832 4 HA MET 1 HA MET 1 17.819 -17.818 12.404 5 1HB MET 1 1HB MET 1 15.998 -19.765 12.178 6 2HB MET 1 2HB MET 1 15.622 -18.901 10.688 7 1HG MET 1 1HG MET 1 18.505 -19.336 11.212 8 2HG MET 1 2HG MET 1 17.568 -20.791 10.870 9 1HE MET 1 1HE MET 1 19.244 -20.606 7.833 10 2HE MET 1 2HE MET 1 19.715 -20.309 9.505 11 3HE MET 1 3HE MET 1 19.881 -19.026 8.309 12 H LYS 2 H LYS 2 14.650 -17.053 10.896 13 HA LYS 2 HA LYS 2 15.832 -14.532 9.827 14 1HB LYS 2 1HB LYS 2 14.986 -16.980 8.365 15 2HB LYS 2 2HB LYS 2 14.493 -15.442 7.652 16 1HG LYS 2 1HG LYS 2 16.925 -14.695 7.952 17 2HG LYS 2 2HG LYS 2 17.296 -16.389 8.275 18 1HD LYS 2 1HD LYS 2 16.605 -17.065 6.104 19 2HD LYS 2 2HD LYS 2 15.790 -15.530 5.800 20 1HE LYS 2 1HE LYS 2 18.617 -15.148 6.447 21 2HE LYS 2 2HE LYS 2 18.384 -16.156 5.006 22 1HZ LYS 2 1HZ LYS 2 16.669 -14.482 4.307 23 2HZ LYS 2 2HZ LYS 2 18.275 -13.923 4.273 24 3HZ LYS 2 3HZ LYS 2 17.241 -13.471 5.544 25 H GLY 3 H GLY 3 13.709 -13.745 8.238 26 1HA GLY 3 1HA GLY 3 11.551 -13.436 10.265 27 2HA GLY 3 2HA GLY 3 11.823 -12.357 8.896 28 H MET 4 H MET 4 10.345 -15.341 9.929 29 HA MET 4 HA MET 4 9.228 -15.730 7.173 30 1HB MET 4 1HB MET 4 10.633 -17.506 8.447 31 2HB MET 4 2HB MET 4 9.195 -17.717 9.446 32 1HG MET 4 1HG MET 4 7.966 -18.639 7.730 33 2HG MET 4 2HG MET 4 8.817 -17.723 6.488 34 1HE MET 4 1HE MET 4 7.992 -20.043 5.830 35 2HE MET 4 2HE MET 4 8.836 -21.564 6.108 36 3HE MET 4 3HE MET 4 9.426 -20.452 4.877 37 H SER 5 H SER 5 8.249 -13.812 9.261 38 HA SER 5 HA SER 5 5.438 -14.808 9.375 39 1HB SER 5 1HB SER 5 7.075 -13.690 11.674 40 2HB SER 5 2HB SER 5 5.353 -14.047 11.752 41 HG SER 5 HG SER 5 7.432 -15.699 12.053 42 H LYS 6 H LYS 6 3.905 -12.969 9.783 43 HA LYS 6 HA LYS 6 3.128 -10.805 9.220 44 1HB LYS 6 1HB LYS 6 5.587 -10.648 10.796 45 2HB LYS 6 2HB LYS 6 5.339 -9.210 9.808 46 1HG LYS 6 1HG LYS 6 4.067 -8.596 11.625 47 2HG LYS 6 2HG LYS 6 2.837 -9.493 10.733 48 1HD LYS 6 1HD LYS 6 3.962 -11.540 12.074 49 2HD LYS 6 2HD LYS 6 4.300 -10.239 13.216 50 1HE LYS 6 1HE LYS 6 2.152 -11.080 13.853 51 2HE LYS 6 2HE LYS 6 1.802 -9.600 12.937 52 1HZ LYS 6 1HZ LYS 6 2.028 -12.255 11.642 53 2HZ LYS 6 2HZ LYS 6 1.379 -10.825 10.994 54 3HZ LYS 6 3HZ LYS 6 0.548 -11.658 12.221 55 H MET 7 H MET 7 4.513 -8.597 8.153 56 HA MET 7 HA MET 7 5.262 -7.754 6.082 57 1HB MET 7 1HB MET 7 6.917 -10.077 6.833 58 2HB MET 7 2HB MET 7 6.983 -9.667 5.119 59 1HG MET 7 1HG MET 7 7.211 -7.196 6.080 60 2HG MET 7 2HG MET 7 7.836 -8.056 7.489 61 1HE MET 7 1HE MET 7 9.863 -6.864 3.789 62 2HE MET 7 2HE MET 7 8.321 -6.409 4.510 63 3HE MET 7 3HE MET 7 8.402 -7.786 3.414 64 HA PRO 8 HA PRO 8 2.251 -10.123 3.646 65 1HB PRO 8 1HB PRO 8 1.519 -8.025 2.049 66 2HB PRO 8 2HB PRO 8 0.854 -8.282 3.676 67 1HG PRO 8 1HG PRO 8 3.001 -6.421 2.780 68 2HG PRO 8 2HG PRO 8 1.702 -6.163 3.956 69 1HD PRO 8 1HD PRO 8 4.266 -6.706 4.673 70 2HD PRO 8 2HD PRO 8 2.861 -7.168 5.659 71 H GLN 9 H GLN 9 2.078 -10.410 1.189 72 HA GLN 9 HA GLN 9 4.791 -10.607 0.047 73 1HB GLN 9 1HB GLN 9 2.015 -11.581 -0.592 74 2HB GLN 9 2HB GLN 9 3.282 -11.690 -1.813 75 1HG GLN 9 1HG GLN 9 3.550 -12.788 0.999 76 2HG GLN 9 2HG GLN 9 3.067 -13.755 -0.395 77 1HE2 GLN 9 1HE2 GLN 9 5.789 -12.446 1.295 78 2HE2 GLN 9 2HE2 GLN 9 6.977 -12.896 0.169 79 H PHE 10 H PHE 10 2.069 -8.475 -0.154 80 HA PHE 10 HA PHE 10 2.484 -7.505 -2.851 81 1HB PHE 10 1HB PHE 10 0.372 -7.326 -1.608 82 2HB PHE 10 2HB PHE 10 1.159 -6.318 -0.395 83 HD1 PHE 10 HD1 PHE 10 1.043 -3.992 -0.615 84 HD2 PHE 10 HD2 PHE 10 0.645 -6.477 -4.121 85 HE1 PHE 10 HE1 PHE 10 0.590 -1.968 -1.998 86 HE2 PHE 10 HE2 PHE 10 0.193 -4.454 -5.505 87 HZ PHE 10 HZ PHE 10 0.165 -2.200 -4.444 88 H LEU 11 H LEU 11 3.892 -6.752 0.279 89 HA LEU 11 HA LEU 11 5.148 -4.272 -0.765 90 1HB LEU 11 1HB LEU 11 5.275 -5.649 1.939 91 2HB LEU 11 2HB LEU 11 5.820 -4.009 1.585 92 HG LEU 11 HG LEU 11 2.970 -5.024 1.333 93 1HD1 LEU 11 1HD1 LEU 11 2.536 -4.075 3.369 94 2HD1 LEU 11 2HD1 LEU 11 3.715 -2.785 3.134 95 3HD1 LEU 11 3HD1 LEU 11 4.253 -4.392 3.633 96 1HD2 LEU 11 1HD2 LEU 11 3.017 -3.353 -0.265 97 2HD2 LEU 11 2HD2 LEU 11 4.365 -2.514 0.503 98 3HD2 LEU 11 3HD2 LEU 11 2.740 -2.365 1.169 99 H ASN 12 H ASN 12 5.876 -7.059 -1.717 100 HA ASN 12 HA ASN 12 8.491 -7.704 -0.634 101 1HB ASN 12 1HB ASN 12 6.579 -8.932 -2.160 102 2HB ASN 12 2HB ASN 12 7.782 -8.530 -3.386 103 1HD2 ASN 12 1HD2 ASN 12 7.269 -10.364 -0.375 104 2HD2 ASN 12 2HD2 ASN 12 8.658 -11.328 -0.530 105 H ARG 13 H ARG 13 7.349 -5.395 -2.962 106 HA ARG 13 HA ARG 13 10.058 -5.102 -4.168 107 1HB ARG 13 1HB ARG 13 7.251 -4.596 -4.906 108 2HB ARG 13 2HB ARG 13 8.357 -3.311 -5.393 109 1HG ARG 13 1HG ARG 13 8.637 -4.684 -7.213 110 2HG ARG 13 2HG ARG 13 9.828 -5.433 -6.147 111 1HD ARG 13 1HD ARG 13 7.561 -6.734 -5.349 112 2HD ARG 13 2HD ARG 13 7.221 -6.483 -7.072 113 HE ARG 13 HE ARG 13 9.301 -8.207 -6.000 114 1HH1 ARG 13 1HH1 ARG 13 7.658 -7.607 -8.757 115 2HH1 ARG 13 2HH1 ARG 13 9.007 -7.695 -9.842 116 1HH2 ARG 13 1HH2 ARG 13 11.380 -7.670 -7.316 117 2HH2 ARG 13 2HH2 ARG 13 11.113 -7.726 -9.026 118 H TRP 14 H TRP 14 8.316 -3.830 -1.578 119 HA TRP 14 HA TRP 14 9.113 -1.032 -1.844 120 1HB TRP 14 1HB TRP 14 7.857 -2.790 0.261 121 2HB TRP 14 2HB TRP 14 8.207 -1.092 0.547 122 HD1 TRP 14 HD1 TRP 14 6.973 -2.404 -2.855 123 HE1 TRP 14 HE1 TRP 14 4.660 -1.370 -3.327 124 HE3 TRP 14 HE3 TRP 14 6.178 -0.069 1.586 125 HZ2 TRP 14 HZ2 TRP 14 2.702 0.255 -1.979 126 HZ3 TRP 14 HZ3 TRP 14 4.078 1.222 2.001 127 HH2 TRP 14 HH2 TRP 14 2.343 1.385 0.219 128 HA PRO 15 HA PRO 15 13.148 -1.762 -0.143 129 1HB PRO 15 1HB PRO 15 13.779 0.809 0.536 130 2HB PRO 15 2HB PRO 15 13.835 0.194 -1.124 131 1HG PRO 15 1HG PRO 15 11.756 1.844 0.216 132 2HG PRO 15 2HG PRO 15 12.359 1.925 -1.446 133 1HD PRO 15 1HD PRO 15 9.988 0.759 -0.753 134 2HD PRO 15 2HD PRO 15 10.940 0.284 -2.177 135 H ARG 16 H ARG 16 14.251 -1.632 1.908 136 HA ARG 16 HA ARG 16 12.643 -2.096 4.200 137 1HB ARG 16 1HB ARG 16 15.305 -2.272 3.360 138 2HB ARG 16 2HB ARG 16 15.349 -1.138 4.706 139 1HG ARG 16 1HG ARG 16 13.762 -2.886 5.833 140 2HG ARG 16 2HG ARG 16 14.473 -3.984 4.652 141 1HD ARG 16 1HD ARG 16 16.635 -2.516 5.750 142 2HD ARG 16 2HD ARG 16 15.631 -3.030 7.119 143 HE ARG 16 HE ARG 16 15.735 -5.355 6.143 144 1HH1 ARG 16 1HH1 ARG 16 18.464 -4.482 7.132 145 2HH1 ARG 16 2HH1 ARG 16 19.474 -4.939 5.801 146 1HH2 ARG 16 1HH2 ARG 16 16.837 -5.293 3.578 147 2HH2 ARG 16 2HH2 ARG 16 18.553 -5.398 3.788 148 H GLU 17 H GLU 17 14.426 0.746 3.116 149 HA GLU 17 HA GLU 17 14.184 2.439 5.338 150 1HB GLU 17 1HB GLU 17 14.114 2.930 2.353 151 2HB GLU 17 2HB GLU 17 14.220 4.245 3.525 152 1HG GLU 17 1HG GLU 17 16.168 2.505 4.415 153 2HG GLU 17 2HG GLU 17 16.284 2.340 2.662 154 H VAL 18 H VAL 18 11.647 1.369 3.180 155 HA VAL 18 HA VAL 18 9.814 3.495 4.202 156 HB VAL 18 HB VAL 18 9.597 1.471 1.947 157 1HG1 VAL 18 1HG1 VAL 18 7.386 2.058 2.798 158 2HG1 VAL 18 2HG1 VAL 18 7.648 2.875 1.258 159 3HG1 VAL 18 3HG1 VAL 18 7.797 3.772 2.768 160 1HG2 VAL 18 1HG2 VAL 18 11.263 3.515 1.904 161 2HG2 VAL 18 2HG2 VAL 18 9.797 4.457 1.638 162 3HG2 VAL 18 3HG2 VAL 18 10.250 3.189 0.499 163 H LEU 19 H LEU 19 9.972 -0.063 3.820 164 HA LEU 19 HA LEU 19 7.490 -0.656 5.081 165 1HB LEU 19 1HB LEU 19 10.072 -2.081 4.531 166 2HB LEU 19 2HB LEU 19 8.819 -2.888 5.475 167 HG LEU 19 HG LEU 19 8.231 -1.587 2.812 168 1HD1 LEU 19 1HD1 LEU 19 9.030 -4.459 3.377 169 2HD1 LEU 19 2HD1 LEU 19 9.957 -3.287 2.440 170 3HD1 LEU 19 3HD1 LEU 19 8.404 -3.867 1.838 171 1HD2 LEU 19 1HD2 LEU 19 6.718 -2.939 4.873 172 2HD2 LEU 19 2HD2 LEU 19 6.618 -3.846 3.363 173 3HD2 LEU 19 3HD2 LEU 19 6.130 -2.151 3.408 174 H ASP 20 H ASP 20 10.593 0.178 6.413 175 HA ASP 20 HA ASP 20 10.131 -0.879 9.081 176 1HB ASP 20 1HB ASP 20 12.201 0.319 7.563 177 2HB ASP 20 2HB ASP 20 11.945 1.374 8.953 178 H LEU 21 H LEU 21 9.312 2.050 7.373 179 HA LEU 21 HA LEU 21 8.617 3.572 9.792 180 1HB LEU 21 1HB LEU 21 9.559 4.694 7.862 181 2HB LEU 21 2HB LEU 21 8.352 3.975 6.797 182 HG LEU 21 HG LEU 21 6.577 5.200 8.088 183 1HD1 LEU 21 1HD1 LEU 21 7.382 7.122 9.485 184 2HD1 LEU 21 2HD1 LEU 21 9.016 6.469 9.365 185 3HD1 LEU 21 3HD1 LEU 21 7.755 5.546 10.183 186 1HD2 LEU 21 1HD2 LEU 21 7.302 6.151 6.007 187 2HD2 LEU 21 2HD2 LEU 21 8.796 6.744 6.730 188 3HD2 LEU 21 3HD2 LEU 21 7.254 7.477 7.170 189 H VAL 22 H VAL 22 6.913 1.968 7.095 190 HA VAL 22 HA VAL 22 4.255 2.671 7.709 191 HB VAL 22 HB VAL 22 5.303 0.004 6.701 192 1HG1 VAL 22 1HG1 VAL 22 3.189 -0.323 5.763 193 2HG1 VAL 22 2HG1 VAL 22 2.801 1.398 5.793 194 3HG1 VAL 22 3HG1 VAL 22 2.785 0.463 7.290 195 1HG2 VAL 22 1HG2 VAL 22 4.585 1.580 4.515 196 2HG2 VAL 22 2HG2 VAL 22 6.235 1.215 5.026 197 3HG2 VAL 22 3HG2 VAL 22 5.449 2.699 5.571 198 H ARG 23 H ARG 23 6.286 0.082 9.062 199 HA ARG 23 HA ARG 23 4.229 -1.199 10.612 200 1HB ARG 23 1HB ARG 23 7.234 -1.012 11.009 201 2HB ARG 23 2HB ARG 23 6.179 -2.236 11.717 202 1HG ARG 23 1HG ARG 23 5.812 -2.017 8.831 203 2HG ARG 23 2HG ARG 23 7.476 -2.422 9.258 204 1HD ARG 23 1HD ARG 23 5.303 -3.886 10.703 205 2HD ARG 23 2HD ARG 23 5.620 -4.333 9.014 206 HE ARG 23 HE ARG 23 8.097 -4.045 10.465 207 1HH1 ARG 23 1HH1 ARG 23 6.137 -5.831 12.096 208 2HH1 ARG 23 2HH1 ARG 23 6.647 -7.397 11.566 209 1HH2 ARG 23 1HH2 ARG 23 8.447 -6.189 8.861 210 2HH2 ARG 23 2HH2 ARG 23 7.953 -7.602 9.733 211 H LYS 24 H LYS 24 6.762 1.160 11.556 212 HA LYS 24 HA LYS 24 5.911 1.443 14.276 213 1HB LYS 24 1HB LYS 24 7.602 2.904 12.294 214 2HB LYS 24 2HB LYS 24 7.140 3.774 13.756 215 1HG LYS 24 1HG LYS 24 8.092 0.991 14.149 216 2HG LYS 24 2HG LYS 24 9.308 2.157 13.628 217 1HD LYS 24 1HD LYS 24 7.784 3.463 15.616 218 2HD LYS 24 2HD LYS 24 8.105 1.844 16.235 219 1HE LYS 24 1HE LYS 24 10.112 2.759 16.873 220 2HE LYS 24 2HE LYS 24 10.553 2.511 15.172 221 1HZ LYS 24 1HZ LYS 24 9.087 4.915 16.091 222 2HZ LYS 24 2HZ LYS 24 9.898 4.680 14.617 223 3HZ LYS 24 3HZ LYS 24 10.781 4.861 16.058 224 H VAL 25 H VAL 25 4.598 2.694 11.311 225 HA VAL 25 HA VAL 25 3.163 4.918 12.610 226 HB VAL 25 HB VAL 25 3.132 3.709 9.823 227 1HG1 VAL 25 1HG1 VAL 25 2.251 6.503 10.297 228 2HG1 VAL 25 2HG1 VAL 25 1.143 5.247 10.848 229 3HG1 VAL 25 3HG1 VAL 25 1.637 5.308 9.156 230 1HG2 VAL 25 1HG2 VAL 25 5.112 5.158 11.111 231 2HG2 VAL 25 2HG2 VAL 25 4.227 6.400 10.225 232 3HG2 VAL 25 3HG2 VAL 25 4.917 5.026 9.362 233 H ALA 26 H ALA 26 2.508 1.635 11.468 234 HA ALA 26 HA ALA 26 -0.377 1.793 11.709 235 1HB ALA 26 1HB ALA 26 0.613 0.130 10.304 236 2HB ALA 26 2HB ALA 26 -0.040 -0.757 11.681 237 3HB ALA 26 3HB ALA 26 1.688 -0.417 11.588 238 H GLU 27 H GLU 27 2.273 0.741 13.826 239 HA GLU 27 HA GLU 27 0.583 -0.196 15.980 240 1HB GLU 27 1HB GLU 27 3.196 -0.410 15.268 241 2HB GLU 27 2HB GLU 27 3.320 0.841 16.506 242 1HG GLU 27 1HG GLU 27 1.589 -1.462 17.196 243 2HG GLU 27 2HG GLU 27 3.313 -1.817 17.066 244 H GLU 28 H GLU 28 1.627 2.946 14.909 245 HA GLU 28 HA GLU 28 1.350 4.292 17.484 246 1HB GLU 28 1HB GLU 28 1.937 4.902 14.645 247 2HB GLU 28 2HB GLU 28 1.185 6.216 15.549 248 1HG GLU 28 1HG GLU 28 3.595 4.685 16.555 249 2HG GLU 28 2HG GLU 28 3.720 6.182 15.630 250 H ASN 29 H ASN 29 -0.570 4.429 14.450 251 HA ASN 29 HA ASN 29 -2.758 5.904 15.462 252 1HB ASN 29 1HB ASN 29 -2.054 4.246 13.171 253 2HB ASN 29 2HB ASN 29 -3.765 4.092 13.575 254 1HD2 ASN 29 1HD2 ASN 29 -2.425 5.572 11.274 255 2HD2 ASN 29 2HD2 ASN 29 -3.009 7.162 11.387 256 H GLY 30 H GLY 30 -2.495 2.335 15.135 257 1HA GLY 30 1HA GLY 30 -3.222 1.178 17.345 258 2HA GLY 30 2HA GLY 30 -4.710 2.099 17.123 259 H ARG 31 H ARG 31 -2.642 0.207 14.889 260 HA ARG 31 HA ARG 31 -4.669 -1.845 14.503 261 1HB ARG 31 1HB ARG 31 -5.349 -1.146 12.253 262 2HB ARG 31 2HB ARG 31 -5.676 0.156 13.396 263 1HG ARG 31 1HG ARG 31 -3.063 0.653 12.592 264 2HG ARG 31 2HG ARG 31 -3.851 0.109 11.110 265 1HD ARG 31 1HD ARG 31 -4.843 2.334 12.928 266 2HD ARG 31 2HD ARG 31 -4.121 2.541 11.321 267 HE ARG 31 HE ARG 31 -6.273 0.667 11.133 268 1HH1 ARG 31 1HH1 ARG 31 -5.612 3.328 9.603 269 2HH1 ARG 31 2HH1 ARG 31 -7.105 4.173 9.841 270 1HH2 ARG 31 1HH2 ARG 31 -8.216 2.048 12.344 271 2HH2 ARG 31 2HH2 ARG 31 -8.580 3.449 11.392 272 H SER 32 H SER 32 -3.979 -2.523 11.834 273 HA SER 32 HA SER 32 -1.179 -3.440 12.239 274 1HB SER 32 1HB SER 32 -1.798 -5.168 10.683 275 2HB SER 32 2HB SER 32 -3.172 -4.964 11.765 276 HG SER 32 HG SER 32 -3.910 -4.968 9.653 277 H VAL 33 H VAL 33 -0.145 -3.749 9.828 278 HA VAL 33 HA VAL 33 0.225 -1.031 8.832 279 HB VAL 33 HB VAL 33 1.313 -3.766 8.118 280 1HG1 VAL 33 1HG1 VAL 33 3.113 -1.779 7.322 281 2HG1 VAL 33 2HG1 VAL 33 1.540 -1.204 6.770 282 3HG1 VAL 33 3HG1 VAL 33 2.129 -2.787 6.263 283 1HG2 VAL 33 1HG2 VAL 33 2.609 -1.451 9.579 284 2HG2 VAL 33 2HG2 VAL 33 3.202 -3.108 9.454 285 3HG2 VAL 33 3HG2 VAL 33 1.760 -2.756 10.409 286 H ASN 34 H ASN 34 -1.935 -3.572 8.094 287 HA ASN 34 HA ASN 34 -2.149 -3.124 5.216 288 1HB ASN 34 1HB ASN 34 -3.586 -4.603 7.397 289 2HB ASN 34 2HB ASN 34 -4.432 -4.348 5.871 290 1HD2 ASN 34 1HD2 ASN 34 -3.759 -5.579 4.048 291 2HD2 ASN 34 2HD2 ASN 34 -2.510 -6.725 4.107 292 H SER 35 H SER 35 -3.610 -1.798 8.135 293 HA SER 35 HA SER 35 -5.635 -0.289 6.594 294 1HB SER 35 1HB SER 35 -4.982 -0.916 9.439 295 2HB SER 35 2HB SER 35 -5.876 0.570 9.132 296 HG SER 35 HG SER 35 -6.963 -1.681 9.364 297 H GLU 36 H GLU 36 -2.520 0.211 8.182 298 HA GLU 36 HA GLU 36 -2.574 3.066 8.342 299 1HB GLU 36 1HB GLU 36 -1.028 1.423 9.459 300 2HB GLU 36 2HB GLU 36 -0.256 1.161 7.895 301 1HG GLU 36 1HG GLU 36 0.992 2.806 9.191 302 2HG GLU 36 2HG GLU 36 0.277 3.562 7.770 303 H ILE 37 H ILE 37 -1.167 0.868 5.884 304 HA ILE 37 HA ILE 37 -0.402 2.960 4.060 305 HB ILE 37 HB ILE 37 -0.910 -0.016 3.845 306 1HG1 ILE 37 1HG1 ILE 37 1.431 1.811 4.315 307 2HG1 ILE 37 2HG1 ILE 37 1.006 0.316 5.141 308 1HG2 ILE 37 1HG2 ILE 37 0.341 1.798 1.751 309 2HG2 ILE 37 2HG2 ILE 37 -1.275 1.098 1.632 310 3HG2 ILE 37 3HG2 ILE 37 0.144 0.048 1.638 311 1HD1 ILE 37 1HD1 ILE 37 2.171 0.588 2.359 312 2HD1 ILE 37 2HD1 ILE 37 1.599 -0.935 3.043 313 3HD1 ILE 37 3HD1 ILE 37 2.967 -0.097 3.777 314 H TYR 38 H TYR 38 -3.444 1.405 4.756 315 HA TYR 38 HA TYR 38 -4.748 1.854 2.229 316 1HB TYR 38 1HB TYR 38 -5.487 0.259 3.956 317 2HB TYR 38 2HB TYR 38 -5.788 1.596 5.070 318 HD1 TYR 38 HD1 TYR 38 -8.020 2.208 5.282 319 HD2 TYR 38 HD2 TYR 38 -6.564 0.800 1.479 320 HE1 TYR 38 HE1 TYR 38 -10.290 2.518 4.301 321 HE2 TYR 38 HE2 TYR 38 -8.836 1.104 0.492 322 HH TYR 38 HH TYR 38 -11.290 2.868 2.044 323 H GLN 39 H GLN 39 -4.470 3.764 5.227 324 HA GLN 39 HA GLN 39 -6.277 5.867 4.381 325 1HB GLN 39 1HB GLN 39 -4.079 5.637 6.459 326 2HB GLN 39 2HB GLN 39 -5.135 7.043 6.325 327 1HG GLN 39 1HG GLN 39 -6.424 4.352 6.436 328 2HG GLN 39 2HG GLN 39 -5.742 4.997 7.930 329 1HE2 GLN 39 1HE2 GLN 39 -8.646 4.661 7.174 330 2HE2 GLN 39 2HE2 GLN 39 -9.325 6.210 7.320 331 H ARG 40 H ARG 40 -2.718 5.520 4.372 332 HA ARG 40 HA ARG 40 -2.119 8.120 3.330 333 1HB ARG 40 1HB ARG 40 -0.642 5.496 2.928 334 2HB ARG 40 2HB ARG 40 0.061 7.111 2.889 335 1HG ARG 40 1HG ARG 40 -1.193 7.096 5.341 336 2HG ARG 40 2HG ARG 40 -0.635 5.427 5.201 337 1HD ARG 40 1HD ARG 40 1.655 6.300 4.624 338 2HD ARG 40 2HD ARG 40 1.062 7.935 4.978 339 HE ARG 40 HE ARG 40 1.467 5.785 6.960 340 1HH1 ARG 40 1HH1 ARG 40 -1.215 6.980 7.476 341 2HH1 ARG 40 2HH1 ARG 40 -0.836 8.308 8.521 342 1HH2 ARG 40 1HH2 ARG 40 2.541 8.308 7.734 343 2HH2 ARG 40 2HH2 ARG 40 1.291 9.059 8.668 344 H VAL 41 H VAL 41 -3.050 5.083 1.821 345 HA VAL 41 HA VAL 41 -2.527 5.994 -0.920 346 HB VAL 41 HB VAL 41 -3.878 3.614 0.381 347 1HG1 VAL 41 1HG1 VAL 41 -3.553 2.551 -1.899 348 2HG1 VAL 41 2HG1 VAL 41 -3.254 4.170 -2.532 349 3HG1 VAL 41 3HG1 VAL 41 -4.822 3.773 -1.826 350 1HG2 VAL 41 1HG2 VAL 41 -1.820 2.589 0.295 351 2HG2 VAL 41 2HG2 VAL 41 -1.272 4.260 0.414 352 3HG2 VAL 41 3HG2 VAL 41 -1.332 3.463 -1.157 353 H MET 42 H MET 42 -5.182 6.023 1.343 354 HA MET 42 HA MET 42 -7.306 6.337 -0.630 355 1HB MET 42 1HB MET 42 -6.932 5.983 2.206 356 2HB MET 42 2HB MET 42 -8.046 7.317 1.929 357 1HG MET 42 1HG MET 42 -8.419 4.842 0.303 358 2HG MET 42 2HG MET 42 -8.895 4.786 1.999 359 1HE MET 42 1HE MET 42 -10.040 6.238 3.145 360 2HE MET 42 2HE MET 42 -11.720 6.322 2.636 361 3HE MET 42 3HE MET 42 -10.730 7.776 2.607 362 H GLU 43 H GLU 43 -5.319 8.523 1.347 363 HA GLU 43 HA GLU 43 -6.834 10.917 0.743 364 1HB GLU 43 1HB GLU 43 -4.005 10.395 1.706 365 2HB GLU 43 2HB GLU 43 -4.766 11.987 1.694 366 1HG GLU 43 1HG GLU 43 -6.675 10.824 3.034 367 2HG GLU 43 2HG GLU 43 -5.470 9.577 3.353 368 H SER 44 H SER 44 -4.099 9.260 -0.768 369 HA SER 44 HA SER 44 -3.138 11.295 -2.481 370 1HB SER 44 1HB SER 44 -2.751 8.581 -2.014 371 2HB SER 44 2HB SER 44 -3.318 8.625 -3.680 372 HG SER 44 HG SER 44 -1.049 9.807 -2.513 373 H PHE 45 H PHE 45 -5.594 8.792 -3.243 374 HA PHE 45 HA PHE 45 -6.330 9.828 -5.794 375 1HB PHE 45 1HB PHE 45 -7.758 8.178 -3.690 376 2HB PHE 45 2HB PHE 45 -8.393 8.425 -5.318 377 HD1 PHE 45 HD1 PHE 45 -6.913 5.994 -3.511 378 HD2 PHE 45 HD2 PHE 45 -6.105 8.300 -7.069 379 HE1 PHE 45 HE1 PHE 45 -5.458 4.162 -4.370 380 HE2 PHE 45 HE2 PHE 45 -4.651 6.469 -7.928 381 HZ PHE 45 HZ PHE 45 -4.330 4.398 -6.579 382 H LYS 46 H LYS 46 -7.098 10.924 -2.580 383 HA LYS 46 HA LYS 46 -9.545 12.353 -3.346 384 1HB LYS 46 1HB LYS 46 -9.071 11.388 -1.086 385 2HB LYS 46 2HB LYS 46 -7.764 12.557 -0.894 386 1HG LYS 46 1HG LYS 46 -9.267 14.400 -0.904 387 2HG LYS 46 2HG LYS 46 -10.590 13.414 -1.522 388 1HD LYS 46 1HD LYS 46 -9.380 12.535 1.048 389 2HD LYS 46 2HD LYS 46 -10.330 14.019 1.095 390 1HE LYS 46 1HE LYS 46 -12.130 12.686 -0.197 391 2HE LYS 46 2HE LYS 46 -11.220 11.243 0.298 392 1HZ LYS 46 1HZ LYS 46 -13.010 12.118 1.893 393 2HZ LYS 46 2HZ LYS 46 -11.910 13.367 2.238 394 3HZ LYS 46 3HZ LYS 46 -11.480 11.750 2.540 395 H LYS 47 H LYS 47 -6.106 13.032 -3.152 396 HA LYS 47 HA LYS 47 -6.247 15.906 -3.091 397 1HB LYS 47 1HB LYS 47 -4.277 13.753 -3.687 398 2HB LYS 47 2HB LYS 47 -3.893 15.361 -4.303 399 1HG LYS 47 1HG LYS 47 -4.628 14.753 -1.425 400 2HG LYS 47 2HG LYS 47 -2.980 14.970 -2.013 401 1HD LYS 47 1HD LYS 47 -4.030 17.223 -2.996 402 2HD LYS 47 2HD LYS 47 -5.144 16.994 -1.648 403 1HE LYS 47 1HE LYS 47 -2.752 16.496 -0.416 404 2HE LYS 47 2HE LYS 47 -2.278 17.726 -1.604 405 1HZ LYS 47 1HZ LYS 47 -3.092 19.005 0.124 406 2HZ LYS 47 2HZ LYS 47 -4.314 17.894 0.524 407 3HZ LYS 47 3HZ LYS 47 -4.462 18.861 -0.866 408 H GLU 48 H GLU 48 -6.205 13.532 -5.740 409 HA GLU 48 HA GLU 48 -6.115 15.607 -7.817 410 1HB GLU 48 1HB GLU 48 -5.291 13.062 -7.680 411 2HB GLU 48 2HB GLU 48 -6.904 12.769 -8.331 412 1HG GLU 48 1HG GLU 48 -4.946 14.743 -9.534 413 2HG GLU 48 2HG GLU 48 -5.129 13.081 -10.095 414 H GLY 49 H GLY 49 -8.556 13.692 -6.157 415 1HA GLY 49 1HA GLY 49 -10.880 14.306 -6.058 416 2HA GLY 49 2HA GLY 49 -10.660 15.282 -7.512 417 H ARG 50 H ARG 50 -9.419 12.018 -7.312 418 HA ARG 50 HA ARG 50 -10.890 11.219 -9.691 419 1HB ARG 50 1HB ARG 50 -8.624 10.437 -8.175 420 2HB ARG 50 2HB ARG 50 -9.706 9.044 -8.211 421 1HG ARG 50 1HG ARG 50 -9.494 8.765 -10.475 422 2HG ARG 50 2HG ARG 50 -9.361 10.497 -10.778 423 1HD ARG 50 1HD ARG 50 -7.053 10.536 -10.205 424 2HD ARG 50 2HD ARG 50 -7.143 8.948 -9.416 425 HE ARG 50 HE ARG 50 -7.880 8.212 -11.866 426 1HH1 ARG 50 1HH1 ARG 50 -6.639 11.143 -12.323 427 2HH1 ARG 50 2HH1 ARG 50 -5.170 10.671 -13.110 428 1HH2 ARG 50 1HH2 ARG 50 -5.492 7.318 -12.280 429 2HH2 ARG 50 2HH2 ARG 50 -4.522 8.505 -13.085 430 H ILE 51 H ILE 51 -11.060 10.360 -6.224 431 HA ILE 51 HA ILE 51 -13.560 8.815 -6.773 432 HB ILE 51 HB ILE 51 -13.120 7.959 -4.458 433 1HG1 ILE 51 1HG1 ILE 51 -10.500 9.449 -4.619 434 2HG1 ILE 51 2HG1 ILE 51 -11.910 10.130 -3.798 435 1HG2 ILE 51 1HG2 ILE 51 -12.210 6.701 -6.299 436 2HG2 ILE 51 2HG2 ILE 51 -10.970 6.784 -5.048 437 3HG2 ILE 51 3HG2 ILE 51 -10.860 7.827 -6.466 438 1HD1 ILE 51 1HD1 ILE 51 -11.800 7.539 -2.814 439 2HD1 ILE 51 2HD1 ILE 51 -11.210 8.976 -1.980 440 3HD1 ILE 51 3HD1 ILE 51 -10.100 7.992 -2.932 441 H GLY 52 H GLY 52 -15.090 9.010 -4.689 442 1HA GLY 52 1HA GLY 52 -15.800 10.714 -2.953 443 2HA GLY 52 2HA GLY 52 -15.470 11.936 -4.183 444 H ALA 53 H ALA 53 -17.030 8.797 -4.710 445 HA ALA 53 HA ALA 53 -19.510 10.278 -5.525 446 1HB ALA 53 1HB ALA 53 -17.840 8.981 -7.164 447 2HB ALA 53 2HB ALA 53 -19.580 8.938 -7.418 448 3HB ALA 53 3HB ALA 53 -18.780 7.590 -6.618 449 1H MET 1 1H MET 1 -13.660 -18.149 -14.065 450 2H MET 1 2H MET 1 -15.000 -17.601 -14.956 451 3H MET 1 3H MET 1 -14.570 -19.246 -14.985 452 HA MET 1 HA MET 1 -16.530 -18.762 -13.540 453 1HB MET 1 1HB MET 1 -14.540 -20.554 -13.375 454 2HB MET 1 2HB MET 1 -14.250 -19.714 -11.851 455 1HG MET 1 1HG MET 1 -17.080 -20.376 -12.410 456 2HG MET 1 2HG MET 1 -16.020 -21.756 -12.112 457 1HE MET 1 1HE MET 1 -17.710 -21.829 -9.082 458 2HE MET 1 2HE MET 1 -18.210 -21.509 -10.742 459 3HE MET 1 3HE MET 1 -18.490 -20.294 -9.496 460 H LYS 2 H LYS 2 -13.440 -17.786 -11.986 461 HA LYS 2 HA LYS 2 -14.830 -15.416 -10.833 462 1HB LYS 2 1HB LYS 2 -13.790 -17.834 -9.458 463 2HB LYS 2 2HB LYS 2 -13.430 -16.290 -8.688 464 1HG LYS 2 1HG LYS 2 -15.910 -15.736 -8.970 465 2HG LYS 2 2HG LYS 2 -16.140 -17.441 -9.359 466 1HD LYS 2 1HD LYS 2 -15.390 -18.141 -7.212 467 2HD LYS 2 2HD LYS 2 -14.720 -16.553 -6.846 468 1HE LYS 2 1HE LYS 2 -17.560 -16.396 -7.494 469 2HE LYS 2 2HE LYS 2 -17.250 -17.431 -6.088 470 1HZ LYS 2 1HZ LYS 2 -15.690 -15.641 -5.318 471 2HZ LYS 2 2HZ LYS 2 -17.330 -15.223 -5.277 472 3HZ LYS 2 3HZ LYS 2 -16.340 -14.641 -6.524 473 H GLY 3 H GLY 3 -12.790 -14.505 -9.208 474 1HA GLY 3 1HA GLY 3 -10.660 -13.944 -11.207 475 2HA GLY 3 2HA GLY 3 -11.030 -12.942 -9.802 476 H MET 4 H MET 4 -9.297 -15.746 -10.932 477 HA MET 4 HA MET 4 -8.164 -16.142 -8.184 478 1HB MET 4 1HB MET 4 -9.407 -17.982 -9.535 479 2HB MET 4 2HB MET 4 -7.949 -18.034 -10.526 480 1HG MET 4 1HG MET 4 -6.657 -18.910 -8.832 481 2HG MET 4 2HG MET 4 -7.593 -18.113 -7.567 482 1HE MET 4 1HE MET 4 -6.574 -20.375 -6.988 483 2HE MET 4 2HE MET 4 -7.275 -21.954 -7.338 484 3HE MET 4 3HE MET 4 -7.969 -20.952 -6.066 485 H SER 5 H SER 5 -7.347 -14.072 -10.199 486 HA SER 5 HA SER 5 -4.458 -14.814 -10.328 487 1HB SER 5 1HB SER 5 -6.179 -13.756 -12.595 488 2HB SER 5 2HB SER 5 -4.432 -13.966 -12.675 489 HG SER 5 HG SER 5 -6.360 -15.769 -13.063 490 H LYS 6 H LYS 6 -3.091 -12.835 -10.655 491 HA LYS 6 HA LYS 6 -2.510 -10.633 -10.008 492 1HB LYS 6 1HB LYS 6 -4.968 -10.634 -11.596 493 2HB LYS 6 2HB LYS 6 -4.850 -9.216 -10.554 494 1HG LYS 6 1HG LYS 6 -3.626 -8.427 -12.336 495 2HG LYS 6 2HG LYS 6 -2.328 -9.251 -11.472 496 1HD LYS 6 1HD LYS 6 -3.266 -11.333 -12.893 497 2HD LYS 6 2HD LYS 6 -3.716 -10.025 -13.989 498 1HE LYS 6 1HE LYS 6 -1.500 -10.654 -14.645 499 2HE LYS 6 2HE LYS 6 -1.285 -9.182 -13.677 500 1HZ LYS 6 1HZ LYS 6 -1.278 -11.890 -12.475 501 2HZ LYS 6 2HZ LYS 6 -0.755 -10.432 -11.777 502 3HZ LYS 6 3HZ LYS 6 0.143 -11.148 -13.028 503 H MET 7 H MET 7 -4.088 -8.596 -8.872 504 HA MET 7 HA MET 7 -4.914 -7.902 -6.776 505 1HB MET 7 1HB MET 7 -6.356 -10.333 -7.621 506 2HB MET 7 2HB MET 7 -6.464 -9.987 -5.893 507 1HG MET 7 1HG MET 7 -6.901 -7.515 -6.774 508 2HG MET 7 2HG MET 7 -7.444 -8.376 -8.214 509 1HE MET 7 1HE MET 7 -9.579 -7.495 -4.483 510 2HE MET 7 2HE MET 7 -8.080 -6.883 -5.177 511 3HE MET 7 3HE MET 7 -8.044 -8.302 -4.133 512 HA PRO 8 HA PRO 8 -1.710 -10.083 -4.413 513 1HB PRO 8 1HB PRO 8 -1.178 -7.988 -2.734 514 2HB PRO 8 2HB PRO 8 -0.487 -8.121 -4.362 515 1HG PRO 8 1HG PRO 8 -2.797 -6.499 -3.416 516 2HG PRO 8 2HG PRO 8 -1.525 -6.082 -4.575 517 1HD PRO 8 1HD PRO 8 -4.025 -6.828 -5.322 518 2HD PRO 8 2HD PRO 8 -2.582 -7.123 -6.316 519 H GLN 9 H GLN 9 -1.521 -10.442 -1.963 520 HA GLN 9 HA GLN 9 -4.211 -10.920 -0.849 521 1HB GLN 9 1HB GLN 9 -1.361 -11.674 -0.233 522 2HB GLN 9 2HB GLN 9 -2.615 -11.938 0.979 523 1HG GLN 9 1HG GLN 9 -2.788 -12.947 -1.873 524 2HG GLN 9 2HG GLN 9 -2.224 -13.923 -0.516 525 1HE2 GLN 9 1HE2 GLN 9 -5.047 -12.790 -2.161 526 2HE2 GLN 9 2HE2 GLN 9 -6.192 -13.385 -1.059 527 H PHE 10 H PHE 10 -1.682 -8.570 -0.549 528 HA PHE 10 HA PHE 10 -2.191 -7.742 2.179 529 1HB PHE 10 1HB PHE 10 -0.095 -7.336 0.962 530 2HB PHE 10 2HB PHE 10 -0.958 -6.356 -0.222 531 HD1 PHE 10 HD1 PHE 10 -1.072 -4.035 0.086 532 HD2 PHE 10 HD2 PHE 10 -0.421 -6.603 3.494 533 HE1 PHE 10 HE1 PHE 10 -0.798 -2.033 1.544 534 HE2 PHE 10 HE2 PHE 10 -0.148 -4.599 4.951 535 HZ PHE 10 HZ PHE 10 -0.337 -2.315 3.977 536 H LEU 11 H LEU 11 -3.649 -7.001 -0.928 537 HA LEU 11 HA LEU 11 -5.117 -4.676 0.195 538 1HB LEU 11 1HB LEU 11 -5.114 -5.958 -2.558 539 2HB LEU 11 2HB LEU 11 -5.801 -4.386 -2.149 540 HG LEU 11 HG LEU 11 -2.874 -5.158 -1.916 541 1HD1 LEU 11 1HD1 LEU 11 -2.520 -4.110 -3.916 542 2HD1 LEU 11 2HD1 LEU 11 -3.796 -2.924 -3.636 543 3HD1 LEU 11 3HD1 LEU 11 -4.208 -4.548 -4.196 544 1HD2 LEU 11 1HD2 LEU 11 -3.075 -3.557 -0.256 545 2HD2 LEU 11 2HD2 LEU 11 -4.481 -2.806 -1.008 546 3HD2 LEU 11 3HD2 LEU 11 -2.870 -2.500 -1.652 547 H ASN 12 H ASN 12 -5.606 -7.547 1.043 548 HA ASN 12 HA ASN 12 -8.152 -8.376 -0.081 549 1HB ASN 12 1HB ASN 12 -6.144 -9.491 1.406 550 2HB ASN 12 2HB ASN 12 -7.380 -9.241 2.640 551 1HD2 ASN 12 1HD2 ASN 12 -6.705 -10.906 -0.431 552 2HD2 ASN 12 2HD2 ASN 12 -8.005 -11.992 -0.324 553 H ARG 13 H ARG 13 -7.220 -6.066 2.338 554 HA ARG 13 HA ARG 13 -9.948 -6.055 3.535 555 1HB ARG 13 1HB ARG 13 -7.201 -5.333 4.310 556 2HB ARG 13 2HB ARG 13 -8.418 -4.168 4.834 557 1HG ARG 13 1HG ARG 13 -8.589 -5.625 6.600 558 2HG ARG 13 2HG ARG 13 -9.700 -6.440 5.497 559 1HD ARG 13 1HD ARG 13 -7.320 -7.504 4.676 560 2HD ARG 13 2HD ARG 13 -7.012 -7.282 6.410 561 HE ARG 13 HE ARG 13 -8.923 -9.149 5.264 562 1HH1 ARG 13 1HH1 ARG 13 -7.357 -8.505 8.052 563 2HH1 ARG 13 2HH1 ARG 13 -8.698 -8.742 9.121 564 1HH2 ARG 13 1HH2 ARG 13 -11.050 -8.836 6.576 565 2HH2 ARG 13 2HH2 ARG 13 -10.790 -8.933 8.285 566 H TRP 14 H TRP 14 -8.317 -4.544 1.003 567 HA TRP 14 HA TRP 14 -9.355 -1.837 1.366 568 1HB TRP 14 1HB TRP 14 -7.947 -3.403 -0.794 569 2HB TRP 14 2HB TRP 14 -8.444 -1.734 -1.021 570 HD1 TRP 14 HD1 TRP 14 -7.107 -3.046 2.341 571 HE1 TRP 14 HE1 TRP 14 -4.890 -1.827 2.852 572 HE3 TRP 14 HE3 TRP 14 -6.517 -0.519 -2.023 573 HZ2 TRP 14 HZ2 TRP 14 -3.081 0.006 1.557 574 HZ3 TRP 14 HZ3 TRP 14 -4.539 0.963 -2.394 575 HH2 TRP 14 HH2 TRP 14 -2.824 1.225 -0.607 576 HA PRO 15 HA PRO 15 -13.310 -2.844 -0.388 577 1HB PRO 15 1HB PRO 15 -14.150 -0.312 -0.976 578 2HB PRO 15 2HB PRO 15 -14.160 -0.990 0.660 579 1HG PRO 15 1HG PRO 15 -12.230 0.883 -0.605 580 2HG PRO 15 2HG PRO 15 -12.840 0.846 1.056 581 1HD PRO 15 1HD PRO 15 -10.370 -0.086 0.330 582 2HD PRO 15 2HD PRO 15 -11.280 -0.692 1.733 583 H ARG 16 H ARG 16 -14.410 -2.733 -2.440 584 HA ARG 16 HA ARG 16 -12.750 -2.970 -4.735 585 1HB ARG 16 1HB ARG 16 -15.390 -3.406 -3.922 586 2HB ARG 16 2HB ARG 16 -15.530 -2.231 -5.225 587 1HG ARG 16 1HG ARG 16 -13.790 -3.795 -6.405 588 2HG ARG 16 2HG ARG 16 -14.410 -4.991 -5.269 589 1HD ARG 16 1HD ARG 16 -16.690 -3.675 -6.327 590 2HD ARG 16 2HD ARG 16 -15.640 -4.052 -7.708 591 HE ARG 16 HE ARG 16 -15.540 -6.410 -6.813 592 1HH1 ARG 16 1HH1 ARG 16 -18.340 -5.741 -7.791 593 2HH1 ARG 16 2HH1 ARG 16 -19.310 -6.334 -6.484 594 1HH2 ARG 16 1HH2 ARG 16 -16.660 -6.536 -4.257 595 2HH2 ARG 16 2HH2 ARG 16 -18.360 -6.783 -4.482 596 H GLU 17 H GLU 17 -14.780 -0.336 -3.561 597 HA GLU 17 HA GLU 17 -14.680 1.455 -5.715 598 1HB GLU 17 1HB GLU 17 -14.660 1.836 -2.714 599 2HB GLU 17 2HB GLU 17 -14.880 3.181 -3.834 600 1HG GLU 17 1HG GLU 17 -16.660 1.313 -4.807 601 2HG GLU 17 2HG GLU 17 -16.770 1.075 -3.062 602 H VAL 18 H VAL 18 -12.060 0.529 -3.579 603 HA VAL 18 HA VAL 18 -10.420 2.841 -4.514 604 HB VAL 18 HB VAL 18 -10.040 0.760 -2.335 605 1HG1 VAL 18 1HG1 VAL 18 -7.884 1.562 -3.150 606 2HG1 VAL 18 2HG1 VAL 18 -8.218 2.299 -1.583 607 3HG1 VAL 18 3HG1 VAL 18 -8.439 3.233 -3.063 608 1HG2 VAL 18 1HG2 VAL 18 -11.870 2.648 -2.221 609 2HG2 VAL 18 2HG2 VAL 18 -10.490 3.703 -1.918 610 3HG2 VAL 18 3HG2 VAL 18 -10.830 2.362 -0.825 611 H LEU 19 H LEU 19 -10.270 -0.730 -4.267 612 HA LEU 19 HA LEU 19 -7.745 -1.056 -5.530 613 1HB LEU 19 1HB LEU 19 -10.190 -2.725 -5.051 614 2HB LEU 19 2HB LEU 19 -8.871 -3.382 -6.017 615 HG LEU 19 HG LEU 19 -8.407 -2.136 -3.304 616 1HD1 LEU 19 1HD1 LEU 19 -8.959 -5.040 -3.977 617 2HD1 LEU 19 2HD1 LEU 19 -9.985 -3.987 -3.003 618 3HD1 LEU 19 3HD1 LEU 19 -8.390 -4.457 -2.414 619 1HD2 LEU 19 1HD2 LEU 19 -6.777 -3.275 -5.401 620 2HD2 LEU 19 2HD2 LEU 19 -6.607 -4.230 -3.928 621 3HD2 LEU 19 3HD2 LEU 19 -6.264 -2.501 -3.902 622 H ASP 20 H ASP 20 -10.900 -0.454 -6.853 623 HA ASP 20 HA ASP 20 -10.340 -1.368 -9.553 624 1HB ASP 20 1HB ASP 20 -12.510 -0.419 -8.004 625 2HB ASP 20 2HB ASP 20 -12.340 0.712 -9.348 626 H LEU 21 H LEU 21 -9.790 1.555 -7.732 627 HA LEU 21 HA LEU 21 -9.222 3.220 -10.091 628 1HB LEU 21 1HB LEU 21 -10.270 4.179 -8.130 629 2HB LEU 21 2HB LEU 21 -9.010 3.539 -7.083 630 HG LEU 21 HG LEU 21 -7.350 4.967 -8.306 631 1HD1 LEU 21 1HD1 LEU 21 -8.304 6.845 -9.659 632 2HD1 LEU 21 2HD1 LEU 21 -9.880 6.055 -9.575 633 3HD1 LEU 21 3HD1 LEU 21 -8.540 5.266 -10.408 634 1HD2 LEU 21 1HD2 LEU 21 -8.215 5.759 -6.206 635 2HD2 LEU 21 2HD2 LEU 21 -9.723 6.273 -6.957 636 3HD2 LEU 21 3HD2 LEU 21 -8.226 7.130 -7.315 637 H VAL 22 H VAL 22 -7.394 1.672 -7.445 638 HA VAL 22 HA VAL 22 -4.805 2.630 -8.015 639 HB VAL 22 HB VAL 22 -5.621 -0.153 -7.111 640 1HG1 VAL 22 1HG1 VAL 22 -3.491 -0.331 -6.173 641 2HG1 VAL 22 2HG1 VAL 22 -3.251 1.416 -6.134 642 3HG1 VAL 22 3HG1 VAL 22 -3.151 0.546 -7.666 643 1HG2 VAL 22 1HG2 VAL 22 -5.050 1.395 -4.863 644 2HG2 VAL 22 2HG2 VAL 22 -6.661 0.913 -5.401 645 3HG2 VAL 22 3HG2 VAL 22 -5.999 2.477 -5.882 646 H ARG 23 H ARG 23 -6.596 -0.076 -9.471 647 HA ARG 23 HA ARG 23 -4.434 -1.117 -11.054 648 1HB ARG 23 1HB ARG 23 -7.442 -1.174 -11.464 649 2HB ARG 23 2HB ARG 23 -6.283 -2.274 -12.211 650 1HG ARG 23 1HG ARG 23 -5.945 -2.133 -9.316 651 2HG ARG 23 2HG ARG 23 -7.566 -2.664 -9.769 652 1HD ARG 23 1HD ARG 23 -5.268 -3.879 -11.251 653 2HD ARG 23 2HD ARG 23 -5.553 -4.416 -9.583 654 HE ARG 23 HE ARG 23 -8.038 -4.288 -11.044 655 1HH1 ARG 23 1HH1 ARG 23 -5.927 -5.834 -12.723 656 2HH1 ARG 23 2HH1 ARG 23 -6.302 -7.459 -12.255 657 1HH2 ARG 23 1HH2 ARG 23 -8.204 -6.512 -9.515 658 2HH2 ARG 23 2HH2 ARG 23 -7.590 -7.843 -10.438 659 H LYS 24 H LYS 24 -7.163 1.043 -11.936 660 HA LYS 24 HA LYS 24 -6.328 1.504 -14.634 661 1HB LYS 24 1HB LYS 24 -8.143 2.737 -12.609 662 2HB LYS 24 2HB LYS 24 -7.753 3.699 -14.035 663 1HG LYS 24 1HG LYS 24 -8.462 0.862 -14.541 664 2HG LYS 24 2HG LYS 24 -9.775 1.898 -13.983 665 1HD LYS 24 1HD LYS 24 -8.366 3.408 -15.909 666 2HD LYS 24 2HD LYS 24 -8.542 1.793 -16.594 667 1HE LYS 24 1HE LYS 24 -10.620 2.550 -17.208 668 2HE LYS 24 2HE LYS 24 -11.040 2.208 -15.517 669 1HZ LYS 24 1HZ LYS 24 -9.779 4.757 -16.343 670 2HZ LYS 24 2HZ LYS 24 -10.570 4.404 -14.886 671 3HZ LYS 24 3HZ LYS 24 -11.460 4.561 -16.326 672 H VAL 25 H VAL 25 -5.139 2.755 -11.617 673 HA VAL 25 HA VAL 25 -3.895 5.140 -12.826 674 HB VAL 25 HB VAL 25 -3.765 3.838 -10.085 675 1HG1 VAL 25 1HG1 VAL 25 -3.129 6.712 -10.455 676 2HG1 VAL 25 2HG1 VAL 25 -1.917 5.576 -11.044 677 3HG1 VAL 25 3HG1 VAL 25 -2.417 5.534 -9.353 678 1HG2 VAL 25 1HG2 VAL 25 -5.863 5.154 -11.328 679 2HG2 VAL 25 2HG2 VAL 25 -5.089 6.435 -10.394 680 3HG2 VAL 25 3HG2 VAL 25 -5.659 4.975 -9.585 681 H ALA 26 H ALA 26 -2.963 1.888 -11.798 682 HA ALA 26 HA ALA 26 -0.103 2.301 -12.017 683 1HB ALA 26 1HB ALA 26 -0.954 0.509 -10.681 684 2HB ALA 26 2HB ALA 26 -0.217 -0.266 -12.082 685 3HB ALA 26 3HB ALA 26 -1.969 -0.083 -11.993 686 H GLU 27 H GLU 27 -2.647 1.108 -14.188 687 HA GLU 27 HA GLU 27 -0.874 0.399 -16.366 688 1HB GLU 27 1HB GLU 27 -3.460 -0.066 -15.679 689 2HB GLU 27 2HB GLU 27 -3.689 1.214 -16.871 690 1HG GLU 27 1HG GLU 27 -1.763 -0.905 -17.633 691 2HG GLU 27 2HG GLU 27 -3.450 -1.412 -17.527 692 H GLU 28 H GLU 28 -2.188 3.395 -15.186 693 HA GLU 28 HA GLU 28 -2.022 4.858 -17.707 694 1HB GLU 28 1HB GLU 28 -2.669 5.308 -14.851 695 2HB GLU 28 2HB GLU 28 -2.028 6.715 -15.701 696 1HG GLU 28 1HG GLU 28 -4.298 5.021 -16.776 697 2HG GLU 28 2HG GLU 28 -4.550 6.471 -15.802 698 H ASN 29 H ASN 29 -0.132 5.048 -14.659 699 HA ASN 29 HA ASN 29 1.926 6.742 -15.603 700 1HB ASN 29 1HB ASN 29 1.362 4.944 -13.379 701 2HB ASN 29 2HB ASN 29 3.080 4.957 -13.778 702 1HD2 ASN 29 1HD2 ASN 29 1.611 6.226 -11.432 703 2HD2 ASN 29 2HD2 ASN 29 2.053 7.865 -11.483 704 H GLY 30 H GLY 30 1.976 3.154 -15.405 705 1HA GLY 30 1HA GLY 30 2.804 2.149 -17.653 706 2HA GLY 30 2HA GLY 30 4.207 3.185 -17.389 707 H ARG 31 H ARG 31 2.303 1.037 -15.241 708 HA ARG 31 HA ARG 31 4.498 -0.845 -14.919 709 1HB ARG 31 1HB ARG 31 5.108 -0.176 -12.639 710 2HB ARG 31 2HB ARG 31 5.325 1.191 -13.731 711 1HG ARG 31 1HG ARG 31 2.676 1.432 -12.927 712 2HG ARG 31 2HG ARG 31 3.503 0.902 -11.460 713 1HD ARG 31 1HD ARG 31 4.305 3.272 -13.189 714 2HD ARG 31 2HD ARG 31 3.562 3.355 -11.581 715 HE ARG 31 HE ARG 31 5.867 1.668 -11.445 716 1HH1 ARG 31 1HH1 ARG 31 4.977 4.202 -9.822 717 2HH1 ARG 31 2HH1 ARG 31 6.391 5.181 -10.019 718 1HH2 ARG 31 1HH2 ARG 31 7.689 3.255 -12.593 719 2HH2 ARG 31 2HH2 ARG 31 7.927 4.644 -11.587 720 H SER 32 H SER 32 3.859 -1.679 -12.280 721 HA SER 32 HA SER 32 1.150 -2.819 -12.736 722 1HB SER 32 1HB SER 32 1.915 -4.544 -11.244 723 2HB SER 32 2HB SER 32 3.272 -4.176 -12.303 724 HG SER 32 HG SER 32 3.987 -4.201 -10.181 725 H VAL 33 H VAL 33 0.143 -3.307 -10.341 726 HA VAL 33 HA VAL 33 -0.465 -0.669 -9.249 727 HB VAL 33 HB VAL 33 -1.313 -3.511 -8.641 728 1HG1 VAL 33 1HG1 VAL 33 -3.281 -1.712 -7.789 729 2HG1 VAL 33 2HG1 VAL 33 -1.764 -1.031 -7.201 730 3HG1 VAL 33 3HG1 VAL 33 -2.222 -2.675 -6.761 731 1HG2 VAL 33 1HG2 VAL 33 -2.795 -1.265 -10.033 732 2HG2 VAL 33 2HG2 VAL 33 -3.249 -2.970 -9.964 733 3HG2 VAL 33 3HG2 VAL 33 -1.838 -2.469 -10.898 734 H ASN 34 H ASN 34 1.907 -3.038 -8.589 735 HA ASN 34 HA ASN 34 2.071 -2.677 -5.694 736 1HB ASN 34 1HB ASN 34 3.639 -3.943 -7.919 737 2HB ASN 34 2HB ASN 34 4.454 -3.672 -6.378 738 1HD2 ASN 34 1HD2 ASN 34 3.895 -5.029 -4.617 739 2HD2 ASN 34 2HD2 ASN 34 2.744 -6.271 -4.720 740 H SER 35 H SER 35 3.421 -1.124 -8.555 741 HA SER 35 HA SER 35 5.301 0.501 -6.949 742 1HB SER 35 1HB SER 35 4.711 -0.074 -9.820 743 2HB SER 35 2HB SER 35 5.477 1.469 -9.451 744 HG SER 35 HG SER 35 6.751 -0.671 -9.762 745 H GLU 36 H GLU 36 2.159 0.786 -8.536 746 HA GLU 36 HA GLU 36 1.963 3.638 -8.590 747 1HB GLU 36 1HB GLU 36 0.572 1.904 -9.775 748 2HB GLU 36 2HB GLU 36 -0.181 1.523 -8.227 749 1HG GLU 36 1HG GLU 36 -1.560 3.100 -9.477 750 2HG GLU 36 2HG GLU 36 -0.922 3.865 -8.024 751 H ILE 37 H ILE 37 0.751 1.235 -6.225 752 HA ILE 37 HA ILE 37 -0.204 3.179 -4.328 753 HB ILE 37 HB ILE 37 0.561 0.252 -4.234 754 1HG1 ILE 37 1HG1 ILE 37 -1.927 1.885 -4.642 755 2HG1 ILE 37 2HG1 ILE 37 -1.378 0.459 -5.515 756 1HG2 ILE 37 1HG2 ILE 37 -0.855 1.841 -2.067 757 2HG2 ILE 37 2HG2 ILE 37 0.826 1.312 -1.969 758 3HG2 ILE 37 3HG2 ILE 37 -0.473 0.120 -2.028 759 1HD1 ILE 37 1HD1 ILE 37 -2.565 0.543 -2.730 760 2HD1 ILE 37 2HD1 ILE 37 -1.867 -0.904 -3.460 761 3HD1 ILE 37 3HD1 ILE 37 -3.299 -0.159 -4.172 762 H TYR 38 H TYR 38 2.964 1.921 -5.062 763 HA TYR 38 HA TYR 38 4.218 2.388 -2.513 764 1HB TYR 38 1HB TYR 38 5.096 0.928 -4.295 765 2HB TYR 38 2HB TYR 38 5.286 2.326 -5.355 766 HD1 TYR 38 HD1 TYR 38 7.456 3.141 -5.526 767 HD2 TYR 38 HD2 TYR 38 6.115 1.454 -1.794 768 HE1 TYR 38 HE1 TYR 38 9.692 3.609 -4.516 769 HE2 TYR 38 HE2 TYR 38 8.348 1.917 -0.777 770 HH TYR 38 HH TYR 38 10.652 3.950 -2.247 771 H GLN 39 H GLN 39 3.791 4.376 -5.446 772 HA GLN 39 HA GLN 39 5.403 6.596 -4.510 773 1HB GLN 39 1HB GLN 39 3.237 6.255 -6.606 774 2HB GLN 39 2HB GLN 39 4.169 7.741 -6.413 775 1HG GLN 39 1HG GLN 39 5.685 5.176 -6.617 776 2HG GLN 39 2HG GLN 39 4.952 5.814 -8.090 777 1HE2 GLN 39 1HE2 GLN 39 7.870 5.702 -7.354 778 2HE2 GLN 39 2HE2 GLN 39 8.415 7.308 -7.431 779 H ARG 40 H ARG 40 1.887 5.939 -4.529 780 HA ARG 40 HA ARG 40 1.064 8.439 -3.391 781 1HB ARG 40 1HB ARG 40 -0.185 5.682 -3.105 782 2HB ARG 40 2HB ARG 40 -1.023 7.229 -3.006 783 1HG ARG 40 1HG ARG 40 0.236 7.419 -5.447 784 2HG ARG 40 2HG ARG 40 -0.177 5.707 -5.378 785 1HD ARG 40 1HD ARG 40 -2.535 6.360 -4.779 786 2HD ARG 40 2HD ARG 40 -2.083 8.051 -5.072 787 HE ARG 40 HE ARG 40 -2.305 5.948 -7.130 788 1HH1 ARG 40 1HH1 ARG 40 0.272 7.380 -7.590 789 2HH1 ARG 40 2HH1 ARG 40 -0.216 8.706 -8.592 790 1HH2 ARG 40 1HH2 ARG 40 -3.583 8.393 -7.822 791 2HH2 ARG 40 2HH2 ARG 40 -2.398 9.281 -8.721 792 H VAL 41 H VAL 41 2.246 5.432 -1.997 793 HA VAL 41 HA VAL 41 1.642 6.183 0.775 794 HB VAL 41 HB VAL 41 3.199 3.984 -0.613 795 1HG1 VAL 41 1HG1 VAL 41 3.030 2.806 1.609 796 2HG1 VAL 41 2HG1 VAL 41 2.519 4.337 2.321 797 3HG1 VAL 41 3HG1 VAL 41 4.127 4.187 1.611 798 1HG2 VAL 41 1HG2 VAL 41 1.246 2.773 -0.563 799 2HG2 VAL 41 2HG2 VAL 41 0.541 4.387 -0.608 800 3HG2 VAL 41 3HG2 VAL 41 0.691 3.532 0.928 801 H MET 42 H MET 42 4.287 6.540 -1.472 802 HA MET 42 HA MET 42 6.370 6.965 0.523 803 1HB MET 42 1HB MET 42 6.037 6.685 -2.325 804 2HB MET 42 2HB MET 42 7.028 8.101 -1.993 805 1HG MET 42 1HG MET 42 7.613 5.611 -0.453 806 2HG MET 42 2HG MET 42 8.098 5.658 -2.147 807 1HE MET 42 1HE MET 42 9.109 7.250 -3.231 808 2HE MET 42 2HE MET 42 10.781 7.449 -2.715 809 3HE MET 42 3HE MET 42 9.673 8.817 -2.636 810 H GLU 43 H GLU 43 4.210 9.043 -1.383 811 HA GLU 43 HA GLU 43 5.510 11.536 -0.683 812 1HB GLU 43 1HB GLU 43 2.738 10.807 -1.679 813 2HB GLU 43 2HB GLU 43 3.357 12.457 -1.606 814 1HG GLU 43 1HG GLU 43 5.364 11.515 -2.977 815 2HG GLU 43 2HG GLU 43 4.273 10.179 -3.348 816 H SER 44 H SER 44 2.926 9.592 0.752 817 HA SER 44 HA SER 44 1.791 11.474 2.532 818 1HB SER 44 1HB SER 44 1.640 8.753 1.967 819 2HB SER 44 2HB SER 44 2.191 8.791 3.640 820 HG SER 44 HG SER 44 -0.163 9.815 2.488 821 H PHE 45 H PHE 45 4.451 9.161 3.215 822 HA PHE 45 HA PHE 45 5.092 10.164 5.805 823 1HB PHE 45 1HB PHE 45 6.662 8.722 3.651 824 2HB PHE 45 2HB PHE 45 7.273 8.966 5.288 825 HD1 PHE 45 HD1 PHE 45 6.006 6.481 3.392 826 HD2 PHE 45 HD2 PHE 45 5.011 8.578 7.031 827 HE1 PHE 45 HE1 PHE 45 4.710 4.503 4.178 828 HE2 PHE 45 HE2 PHE 45 3.714 6.600 7.817 829 HZ PHE 45 HZ PHE 45 3.565 4.563 6.392 830 H LYS 46 H LYS 46 5.763 11.441 2.639 831 HA LYS 46 HA LYS 46 8.074 13.048 3.469 832 1HB LYS 46 1HB LYS 46 7.697 12.130 1.173 833 2HB LYS 46 2HB LYS 46 6.286 13.180 1.016 834 1HG LYS 46 1HG LYS 46 7.612 15.153 1.095 835 2HG LYS 46 2HG LYS 46 9.022 14.275 1.690 836 1HD LYS 46 1HD LYS 46 7.904 13.379 -0.918 837 2HD LYS 46 2HD LYS 46 8.722 14.941 -0.905 838 1HE LYS 46 1HE LYS 46 10.634 13.726 0.353 839 2HE LYS 46 2HE LYS 46 9.857 12.230 -0.202 840 1HZ LYS 46 1HZ LYS 46 11.563 13.316 -1.749 841 2HZ LYS 46 2HZ LYS 46 10.360 14.475 -2.057 842 3HZ LYS 46 3HZ LYS 46 10.081 12.839 -2.423 843 H LYS 47 H LYS 47 4.590 13.436 3.281 844 HA LYS 47 HA LYS 47 4.484 16.312 3.324 845 1HB LYS 47 1HB LYS 47 2.705 13.976 3.828 846 2HB LYS 47 2HB LYS 47 2.182 15.521 4.503 847 1HG LYS 47 1HG LYS 47 2.976 15.093 1.607 848 2HG LYS 47 2HG LYS 47 1.314 15.140 2.192 849 1HD LYS 47 1HD LYS 47 2.155 17.436 3.270 850 2HD LYS 47 2HD LYS 47 3.293 17.358 1.923 851 1HE LYS 47 1HE LYS 47 0.954 16.701 0.657 852 2HE LYS 47 2HE LYS 47 0.375 17.846 1.884 853 1HZ LYS 47 1HZ LYS 47 1.088 19.246 0.205 854 2HZ LYS 47 2HZ LYS 47 2.400 18.254 -0.224 855 3HZ LYS 47 3HZ LYS 47 2.460 19.182 1.198 856 H GLU 48 H GLU 48 4.632 13.847 5.887 857 HA GLU 48 HA GLU 48 4.362 15.828 8.039 858 1HB GLU 48 1HB GLU 48 3.761 13.227 7.803 859 2HB GLU 48 2HB GLU 48 5.392 13.051 8.451 860 1HG GLU 48 1HG GLU 48 3.265 14.800 9.716 861 2HG GLU 48 2HG GLU 48 3.589 13.141 10.215 862 H GLY 49 H GLY 49 6.964 14.192 6.323 863 1HA GLY 49 1HA GLY 49 9.229 15.011 6.262 864 2HA GLY 49 2HA GLY 49 8.917 15.905 7.752 865 H ARG 50 H ARG 50 7.959 12.559 7.428 866 HA ARG 50 HA ARG 50 9.493 11.800 9.778 867 1HB ARG 50 1HB ARG 50 7.304 10.887 8.225 868 2HB ARG 50 2HB ARG 50 8.499 9.590 8.212 869 1HG ARG 50 1HG ARG 50 8.310 9.208 10.462 870 2HG ARG 50 2HG ARG 50 8.029 10.911 10.831 871 1HD ARG 50 1HD ARG 50 5.726 10.773 10.247 872 2HD ARG 50 2HD ARG 50 5.953 9.230 9.400 873 HE ARG 50 HE ARG 50 6.745 8.470 11.827 874 1HH1 ARG 50 1HH1 ARG 50 5.250 11.263 12.383 875 2HH1 ARG 50 2HH1 ARG 50 3.826 10.634 13.145 876 1HH2 ARG 50 1HH2 ARG 50 4.446 7.358 12.192 877 2HH2 ARG 50 2HH2 ARG 50 3.370 8.424 13.032 878 H ILE 51 H ILE 51 9.749 11.091 6.284 879 HA ILE 51 HA ILE 51 12.366 9.746 6.792 880 HB ILE 51 HB ILE 51 12.020 8.945 4.445 881 1HG1 ILE 51 1HG1 ILE 51 9.276 10.198 4.642 882 2HG1 ILE 51 2HG1 ILE 51 10.622 11.025 3.855 883 1HG2 ILE 51 1HG2 ILE 51 11.208 7.548 6.235 884 2HG2 ILE 51 2HG2 ILE 51 9.975 7.565 4.975 885 3HG2 ILE 51 3HG2 ILE 51 9.766 8.544 6.427 886 1HD1 ILE 51 1HD1 ILE 51 10.733 8.466 2.787 887 2HD1 ILE 51 2HD1 ILE 51 10.041 9.879 1.992 888 3HD1 ILE 51 3HD1 ILE 51 9.002 8.782 2.901 889 H GLY 52 H GLY 52 13.885 10.149 4.726 890 1HA GLY 52 1HA GLY 52 14.455 11.969 3.057 891 2HA GLY 52 2HA GLY 52 14.012 13.113 4.327 892 H ALA 53 H ALA 53 15.836 10.104 4.758 893 HA ALA 53 HA ALA 53 18.180 11.762 5.640 894 1HB ALA 53 1HB ALA 53 16.621 10.261 7.214 895 2HB ALA 53 2HB ALA 53 18.361 10.367 7.483 896 3HB ALA 53 3HB ALA 53 17.685 8.982 6.626 Start of MODEL 13 1 1H MET 1 1H MET 1 19.152 -14.072 13.803 2 2H MET 1 2H MET 1 19.272 -15.492 14.727 3 3H MET 1 3H MET 1 20.381 -14.226 14.960 4 HA MET 1 HA MET 1 18.533 -14.440 16.678 5 1HB MET 1 1HB MET 1 19.746 -12.206 15.230 6 2HB MET 1 2HB MET 1 18.237 -11.749 16.024 7 1HG MET 1 1HG MET 1 19.043 -12.297 18.157 8 2HG MET 1 2HG MET 1 20.298 -13.357 17.514 9 1HE MET 1 1HE MET 1 21.837 -11.247 19.606 10 2HE MET 1 2HE MET 1 23.071 -11.533 18.382 11 3HE MET 1 3HE MET 1 21.889 -12.790 18.743 12 H LYS 2 H LYS 2 17.551 -12.444 13.866 13 HA LYS 2 HA LYS 2 14.732 -12.713 14.490 14 1HB LYS 2 1HB LYS 2 14.495 -11.452 12.383 15 2HB LYS 2 2HB LYS 2 15.789 -10.769 13.365 16 1HG LYS 2 1HG LYS 2 17.481 -11.786 12.025 17 2HG LYS 2 2HG LYS 2 16.313 -12.830 11.215 18 1HD LYS 2 1HD LYS 2 15.507 -10.085 10.898 19 2HD LYS 2 2HD LYS 2 17.188 -10.260 10.393 20 1HE LYS 2 1HE LYS 2 14.989 -12.136 9.462 21 2HE LYS 2 2HE LYS 2 15.508 -10.706 8.546 22 1HZ LYS 2 1HZ LYS 2 16.848 -12.476 7.787 23 2HZ LYS 2 2HZ LYS 2 17.150 -13.036 9.362 24 3HZ LYS 2 3HZ LYS 2 17.835 -11.575 8.831 25 H GLY 3 H GLY 3 13.178 -14.001 13.401 26 1HA GLY 3 1HA GLY 3 14.075 -15.817 11.254 27 2HA GLY 3 2HA GLY 3 13.556 -16.592 12.751 28 H MET 4 H MET 4 11.339 -15.769 13.564 29 HA MET 4 HA MET 4 9.416 -16.104 11.384 30 1HB MET 4 1HB MET 4 9.561 -16.249 14.287 31 2HB MET 4 2HB MET 4 8.101 -15.407 13.765 32 1HG MET 4 1HG MET 4 7.350 -17.252 12.493 33 2HG MET 4 2HG MET 4 8.943 -18.010 12.492 34 1HE MET 4 1HE MET 4 7.159 -19.674 12.681 35 2HE MET 4 2HE MET 4 6.097 -19.953 14.058 36 3HE MET 4 3HE MET 4 7.699 -20.685 14.029 37 H SER 5 H SER 5 8.188 -14.488 10.437 38 HA SER 5 HA SER 5 8.272 -11.750 11.635 39 1HB SER 5 1HB SER 5 8.857 -12.506 8.753 40 2HB SER 5 2HB SER 5 8.831 -10.866 9.397 41 HG SER 5 HG SER 5 10.919 -12.191 9.251 42 H LYS 6 H LYS 6 6.826 -10.389 9.762 43 HA LYS 6 HA LYS 6 4.404 -11.979 9.094 44 1HB LYS 6 1HB LYS 6 4.760 -10.190 11.364 45 2HB LYS 6 2HB LYS 6 3.447 -9.640 10.321 46 1HG LYS 6 1HG LYS 6 2.789 -12.207 10.353 47 2HG LYS 6 2HG LYS 6 3.702 -12.196 11.862 48 1HD LYS 6 1HD LYS 6 2.198 -10.809 12.926 49 2HD LYS 6 2HD LYS 6 1.729 -9.997 11.432 50 1HE LYS 6 1HE LYS 6 1.025 -12.826 11.354 51 2HE LYS 6 2HE LYS 6 0.266 -11.998 12.728 52 1HZ LYS 6 1HZ LYS 6 -0.661 -10.384 11.341 53 2HZ LYS 6 2HZ LYS 6 -0.906 -11.831 10.485 54 3HZ LYS 6 3HZ LYS 6 0.349 -10.777 10.035 55 H MET 7 H MET 7 6.218 -10.880 7.264 56 HA MET 7 HA MET 7 5.110 -8.269 6.385 57 1HB MET 7 1HB MET 7 7.520 -9.957 5.910 58 2HB MET 7 2HB MET 7 7.015 -8.909 4.584 59 1HG MET 7 1HG MET 7 7.061 -6.961 6.073 60 2HG MET 7 2HG MET 7 7.498 -7.992 7.434 61 1HE MET 7 1HE MET 7 10.249 -5.623 5.191 62 2HE MET 7 2HE MET 7 9.428 -5.468 6.742 63 3HE MET 7 3HE MET 7 8.483 -5.571 5.259 64 HA PRO 8 HA PRO 8 2.477 -10.426 3.512 65 1HB PRO 8 1HB PRO 8 1.691 -8.269 2.027 66 2HB PRO 8 2HB PRO 8 1.046 -8.613 3.644 67 1HG PRO 8 1HG PRO 8 3.123 -6.655 2.813 68 2HG PRO 8 2HG PRO 8 1.857 -6.506 4.041 69 1HD PRO 8 1HD PRO 8 4.479 -7.031 4.614 70 2HD PRO 8 2HD PRO 8 3.121 -7.517 5.651 71 H GLN 9 H GLN 9 2.504 -10.983 1.218 72 HA GLN 9 HA GLN 9 5.155 -10.853 0.014 73 1HB GLN 9 1HB GLN 9 2.452 -11.887 -0.896 74 2HB GLN 9 2HB GLN 9 3.954 -12.155 -1.780 75 1HG GLN 9 1HG GLN 9 3.613 -12.928 1.126 76 2HG GLN 9 2HG GLN 9 3.258 -14.035 -0.202 77 1HE2 GLN 9 1HE2 GLN 9 5.698 -13.212 1.913 78 2HE2 GLN 9 2HE2 GLN 9 7.040 -13.687 0.987 79 H PHE 10 H PHE 10 2.422 -8.775 -0.069 80 HA PHE 10 HA PHE 10 2.779 -7.803 -2.804 81 1HB PHE 10 1HB PHE 10 0.616 -7.758 -1.658 82 2HB PHE 10 2HB PHE 10 1.291 -6.759 -0.370 83 HD1 PHE 10 HD1 PHE 10 1.522 -4.387 -0.615 84 HD2 PHE 10 HD2 PHE 10 0.485 -6.835 -4.015 85 HE1 PHE 10 HE1 PHE 10 1.028 -2.336 -1.939 86 HE2 PHE 10 HE2 PHE 10 -0.011 -4.783 -5.340 87 HZ PHE 10 HZ PHE 10 0.261 -2.533 -4.301 88 H LEU 11 H LEU 11 3.848 -6.823 0.437 89 HA LEU 11 HA LEU 11 5.076 -4.342 -0.590 90 1HB LEU 11 1HB LEU 11 5.064 -5.706 2.123 91 2HB LEU 11 2HB LEU 11 5.663 -4.075 1.812 92 HG LEU 11 HG LEU 11 2.840 -4.947 1.151 93 1HD1 LEU 11 1HD1 LEU 11 2.233 -4.656 3.302 94 2HD1 LEU 11 2HD1 LEU 11 3.093 -3.120 3.392 95 3HD1 LEU 11 3HD1 LEU 11 3.947 -4.629 3.718 96 1HD2 LEU 11 1HD2 LEU 11 4.397 -2.381 1.130 97 2HD2 LEU 11 2HD2 LEU 11 2.664 -2.326 1.444 98 3HD2 LEU 11 3HD2 LEU 11 3.265 -3.005 -0.069 99 H ASN 12 H ASN 12 5.998 -7.347 -1.137 100 HA ASN 12 HA ASN 12 8.606 -7.654 -0.007 101 1HB ASN 12 1HB ASN 12 6.858 -9.056 -1.629 102 2HB ASN 12 2HB ASN 12 8.185 -8.685 -2.728 103 1HD2 ASN 12 1HD2 ASN 12 7.559 -10.073 0.532 104 2HD2 ASN 12 2HD2 ASN 12 8.907 -11.104 0.516 105 H ARG 13 H ARG 13 7.412 -5.778 -2.733 106 HA ARG 13 HA ARG 13 10.075 -5.300 -3.857 107 1HB ARG 13 1HB ARG 13 7.244 -4.435 -4.364 108 2HB ARG 13 2HB ARG 13 8.565 -3.569 -5.148 109 1HG ARG 13 1HG ARG 13 9.412 -5.705 -6.067 110 2HG ARG 13 2HG ARG 13 8.069 -6.557 -5.308 111 1HD ARG 13 1HD ARG 13 6.457 -5.266 -6.647 112 2HD ARG 13 2HD ARG 13 7.789 -4.354 -7.386 113 HE ARG 13 HE ARG 13 7.775 -7.331 -7.593 114 1HH1 ARG 13 1HH1 ARG 13 9.792 -5.585 -9.001 115 2HH1 ARG 13 2HH1 ARG 13 9.138 -5.511 -10.603 116 1HH2 ARG 13 1HH2 ARG 13 5.998 -6.640 -9.658 117 2HH2 ARG 13 2HH2 ARG 13 6.989 -6.110 -10.974 118 H TRP 14 H TRP 14 7.989 -3.791 -1.511 119 HA TRP 14 HA TRP 14 9.017 -1.125 -1.576 120 1HB TRP 14 1HB TRP 14 7.734 -2.905 0.497 121 2HB TRP 14 2HB TRP 14 8.153 -1.234 0.838 122 HD1 TRP 14 HD1 TRP 14 6.826 -2.404 -2.577 123 HE1 TRP 14 HE1 TRP 14 4.561 -1.252 -3.004 124 HE3 TRP 14 HE3 TRP 14 6.179 -0.129 1.923 125 HZ2 TRP 14 HZ2 TRP 14 2.692 0.435 -1.599 126 HZ3 TRP 14 HZ3 TRP 14 4.144 1.249 2.383 127 HH2 TRP 14 HH2 TRP 14 2.406 1.534 0.619 128 HA PRO 15 HA PRO 15 13.077 -1.892 -0.011 129 1HB PRO 15 1HB PRO 15 13.651 0.603 0.969 130 2HB PRO 15 2HB PRO 15 13.672 0.204 -0.759 131 1HG PRO 15 1HG PRO 15 11.556 1.558 0.844 132 2HG PRO 15 2HG PRO 15 12.139 1.924 -0.787 133 1HD PRO 15 1HD PRO 15 9.830 0.583 -0.327 134 2HD PRO 15 2HD PRO 15 10.840 0.292 -1.761 135 H ARG 16 H ARG 16 14.326 -1.523 2.125 136 HA ARG 16 HA ARG 16 12.676 -2.449 4.319 137 1HB ARG 16 1HB ARG 16 14.702 -3.447 4.519 138 2HB ARG 16 2HB ARG 16 15.460 -2.284 3.455 139 1HG ARG 16 1HG ARG 16 16.021 -0.843 5.201 140 2HG ARG 16 2HG ARG 16 14.819 -1.532 6.295 141 1HD ARG 16 1HD ARG 16 16.212 -3.228 6.956 142 2HD ARG 16 2HD ARG 16 16.893 -3.428 5.327 143 HE ARG 16 HE ARG 16 17.652 -1.175 7.155 144 1HH1 ARG 16 1HH1 ARG 16 19.256 -3.806 6.600 145 2HH1 ARG 16 2HH1 ARG 16 20.471 -3.186 5.531 146 1HH2 ARG 16 1HH2 ARG 16 18.800 -0.206 4.934 147 2HH2 ARG 16 2HH2 ARG 16 20.213 -1.146 4.590 148 H GLU 17 H GLU 17 13.911 0.633 3.244 149 HA GLU 17 HA GLU 17 13.818 1.969 5.813 150 1HB GLU 17 1HB GLU 17 14.074 2.695 2.913 151 2HB GLU 17 2HB GLU 17 13.756 3.976 4.084 152 1HG GLU 17 1HG GLU 17 15.942 3.990 4.610 153 2HG GLU 17 2HG GLU 17 15.777 2.340 5.213 154 H VAL 18 H VAL 18 11.617 1.880 2.989 155 HA VAL 18 HA VAL 18 9.619 3.589 4.171 156 HB VAL 18 HB VAL 18 9.519 1.484 1.979 157 1HG1 VAL 18 1HG1 VAL 18 7.529 2.915 1.233 158 2HG1 VAL 18 2HG1 VAL 18 7.555 3.616 2.851 159 3HG1 VAL 18 3HG1 VAL 18 7.260 1.889 2.642 160 1HG2 VAL 18 1HG2 VAL 18 11.115 3.314 1.561 161 2HG2 VAL 18 2HG2 VAL 18 9.862 4.503 1.917 162 3HG2 VAL 18 3HG2 VAL 18 9.717 3.467 0.497 163 H LEU 19 H LEU 19 10.032 0.056 4.046 164 HA LEU 19 HA LEU 19 7.531 -0.634 5.263 165 1HB LEU 19 1HB LEU 19 10.222 -1.918 4.856 166 2HB LEU 19 2HB LEU 19 8.990 -2.748 5.806 167 HG LEU 19 HG LEU 19 8.444 -1.652 3.041 168 1HD1 LEU 19 1HD1 LEU 19 8.920 -4.566 3.577 169 2HD1 LEU 19 2HD1 LEU 19 10.306 -3.506 3.320 170 3HD1 LEU 19 3HD1 LEU 19 9.076 -3.669 2.067 171 1HD2 LEU 19 1HD2 LEU 19 6.814 -2.691 5.092 172 2HD2 LEU 19 2HD2 LEU 19 6.957 -3.988 3.904 173 3HD2 LEU 19 3HD2 LEU 19 6.351 -2.405 3.414 174 H ASP 20 H ASP 20 10.679 0.279 6.610 175 HA ASP 20 HA ASP 20 10.117 -0.563 9.325 176 1HB ASP 20 1HB ASP 20 12.300 0.213 7.933 177 2HB ASP 20 2HB ASP 20 11.936 1.727 8.759 178 H LEU 21 H LEU 21 9.244 2.214 7.415 179 HA LEU 21 HA LEU 21 8.551 3.874 9.757 180 1HB LEU 21 1HB LEU 21 9.544 4.853 7.748 181 2HB LEU 21 2HB LEU 21 8.257 4.178 6.751 182 HG LEU 21 HG LEU 21 6.611 5.533 8.088 183 1HD1 LEU 21 1HD1 LEU 21 7.353 7.201 9.599 184 2HD1 LEU 21 2HD1 LEU 21 9.024 7.068 9.055 185 3HD1 LEU 21 3HD1 LEU 21 8.308 5.781 10.024 186 1HD2 LEU 21 1HD2 LEU 21 8.840 6.928 6.584 187 2HD2 LEU 21 2HD2 LEU 21 7.339 7.730 7.048 188 3HD2 LEU 21 3HD2 LEU 21 7.301 6.362 5.935 189 H VAL 22 H VAL 22 6.921 2.012 7.207 190 HA VAL 22 HA VAL 22 4.227 2.785 7.828 191 HB VAL 22 HB VAL 22 5.224 0.146 6.707 192 1HG1 VAL 22 1HG1 VAL 22 2.768 0.466 7.237 193 2HG1 VAL 22 2HG1 VAL 22 3.117 0.096 5.550 194 3HG1 VAL 22 3HG1 VAL 22 2.747 1.752 6.031 195 1HG2 VAL 22 1HG2 VAL 22 5.730 2.778 5.717 196 2HG2 VAL 22 2HG2 VAL 22 4.537 2.030 4.655 197 3HG2 VAL 22 3HG2 VAL 22 6.089 1.238 4.933 198 H ARG 23 H ARG 23 6.141 -0.099 8.769 199 HA ARG 23 HA ARG 23 4.169 -1.325 10.409 200 1HB ARG 23 1HB ARG 23 6.141 -2.510 11.351 201 2HB ARG 23 2HB ARG 23 6.228 -2.397 9.595 202 1HG ARG 23 1HG ARG 23 8.366 -1.699 10.135 203 2HG ARG 23 2HG ARG 23 7.532 -0.145 10.153 204 1HD ARG 23 1HD ARG 23 8.167 0.109 12.314 205 2HD ARG 23 2HD ARG 23 7.177 -1.303 12.735 206 HE ARG 23 HE ARG 23 9.723 -2.036 11.517 207 1HH1 ARG 23 1HH1 ARG 23 9.882 -0.187 14.087 208 2HH1 ARG 23 2HH1 ARG 23 10.214 -1.402 15.275 209 1HH2 ARG 23 1HH2 ARG 23 9.381 -4.045 13.192 210 2HH2 ARG 23 2HH2 ARG 23 9.931 -3.586 14.769 211 H LYS 24 H LYS 24 6.560 1.198 11.156 212 HA LYS 24 HA LYS 24 6.066 1.197 14.018 213 1HB LYS 24 1HB LYS 24 7.863 2.295 12.172 214 2HB LYS 24 2HB LYS 24 7.023 3.691 12.846 215 1HG LYS 24 1HG LYS 24 8.108 1.509 14.624 216 2HG LYS 24 2HG LYS 24 9.119 2.856 14.098 217 1HD LYS 24 1HD LYS 24 7.677 4.463 15.138 218 2HD LYS 24 2HD LYS 24 6.429 3.250 15.424 219 1HE LYS 24 1HE LYS 24 8.256 2.021 16.825 220 2HE LYS 24 2HE LYS 24 9.071 3.598 16.838 221 1HZ LYS 24 1HZ LYS 24 7.080 4.627 17.664 222 2HZ LYS 24 2HZ LYS 24 7.485 3.338 18.692 223 3HZ LYS 24 3HZ LYS 24 6.223 3.166 17.569 224 H VAL 25 H VAL 25 4.552 2.678 11.240 225 HA VAL 25 HA VAL 25 3.082 4.679 12.825 226 HB VAL 25 HB VAL 25 3.015 3.775 9.927 227 1HG1 VAL 25 1HG1 VAL 25 1.579 5.552 9.431 228 2HG1 VAL 25 2HG1 VAL 25 1.947 6.400 10.935 229 3HG1 VAL 25 3HG1 VAL 25 0.923 4.964 10.958 230 1HG2 VAL 25 1HG2 VAL 25 4.039 6.436 10.787 231 2HG2 VAL 25 2HG2 VAL 25 4.610 5.371 9.502 232 3HG2 VAL 25 3HG2 VAL 25 5.041 5.036 11.179 233 H ALA 26 H ALA 26 2.620 1.415 11.707 234 HA ALA 26 HA ALA 26 -0.308 1.484 11.901 235 1HB ALA 26 1HB ALA 26 0.395 -1.133 11.844 236 2HB ALA 26 2HB ALA 26 1.886 -0.414 11.237 237 3HB ALA 26 3HB ALA 26 0.362 -0.126 10.397 238 H GLU 27 H GLU 27 2.443 0.633 13.925 239 HA GLU 27 HA GLU 27 0.857 -0.700 15.981 240 1HB GLU 27 1HB GLU 27 3.317 -1.033 15.320 241 2HB GLU 27 2HB GLU 27 3.639 0.471 16.186 242 1HG GLU 27 1HG GLU 27 2.125 -0.847 18.023 243 2HG GLU 27 2HG GLU 27 2.944 -2.201 17.244 244 H GLU 28 H GLU 28 1.711 2.593 15.219 245 HA GLU 28 HA GLU 28 1.220 3.525 17.993 246 1HB GLU 28 1HB GLU 28 1.892 5.687 17.069 247 2HB GLU 28 2HB GLU 28 3.024 4.449 16.528 248 1HG GLU 28 1HG GLU 28 1.944 4.320 14.366 249 2HG GLU 28 2HG GLU 28 0.651 5.393 14.897 250 H ASN 29 H ASN 29 -0.393 3.432 14.858 251 HA ASN 29 HA ASN 29 -2.581 5.199 15.707 252 1HB ASN 29 1HB ASN 29 -1.464 4.147 13.317 253 2HB ASN 29 2HB ASN 29 -3.136 3.590 13.382 254 1HD2 ASN 29 1HD2 ASN 29 -1.091 6.414 13.004 255 2HD2 ASN 29 2HD2 ASN 29 -2.347 7.525 12.737 256 H GLY 30 H GLY 30 -1.844 2.178 16.723 257 1HA GLY 30 1HA GLY 30 -3.120 0.487 17.722 258 2HA GLY 30 2HA GLY 30 -4.500 1.583 17.627 259 H ARG 31 H ARG 31 -2.762 0.806 14.714 260 HA ARG 31 HA ARG 31 -4.976 -1.055 13.910 261 1HB ARG 31 1HB ARG 31 -3.621 1.093 12.248 262 2HB ARG 31 2HB ARG 31 -4.978 0.085 11.746 263 1HG ARG 31 1HG ARG 31 -6.012 1.112 14.015 264 2HG ARG 31 2HG ARG 31 -4.935 2.434 13.562 265 1HD ARG 31 1HD ARG 31 -6.050 1.908 11.143 266 2HD ARG 31 2HD ARG 31 -7.399 1.473 12.211 267 HE ARG 31 HE ARG 31 -6.052 4.140 12.168 268 1HH1 ARG 31 1HH1 ARG 31 -7.235 3.306 14.826 269 2HH1 ARG 31 2HH1 ARG 31 -8.824 3.987 14.725 270 1HH2 ARG 31 1HH2 ARG 31 -8.687 4.469 11.293 271 2HH2 ARG 31 2HH2 ARG 31 -9.647 4.645 12.724 272 H SER 32 H SER 32 -3.922 -1.490 11.312 273 HA SER 32 HA SER 32 -1.393 -2.964 11.944 274 1HB SER 32 1HB SER 32 -3.349 -3.598 9.735 275 2HB SER 32 2HB SER 32 -2.205 -4.677 10.527 276 HG SER 32 HG SER 32 -4.176 -5.113 11.407 277 H VAL 33 H VAL 33 -0.262 -3.426 9.636 278 HA VAL 33 HA VAL 33 0.449 -0.813 8.577 279 HB VAL 33 HB VAL 33 1.185 -3.664 7.862 280 1HG1 VAL 33 1HG1 VAL 33 3.247 -1.808 7.270 281 2HG1 VAL 33 2HG1 VAL 33 1.766 -1.172 6.559 282 3HG1 VAL 33 3HG1 VAL 33 2.323 -2.791 6.136 283 1HG2 VAL 33 1HG2 VAL 33 2.334 -1.572 9.723 284 2HG2 VAL 33 2HG2 VAL 33 3.278 -2.958 9.167 285 3HG2 VAL 33 3HG2 VAL 33 1.814 -3.212 10.120 286 H ASN 34 H ASN 34 -1.912 -3.196 7.765 287 HA ASN 34 HA ASN 34 -2.054 -2.616 4.899 288 1HB ASN 34 1HB ASN 34 -2.776 -4.753 5.880 289 2HB ASN 34 2HB ASN 34 -3.953 -3.914 6.888 290 1HD2 ASN 34 1HD2 ASN 34 -3.119 -4.456 3.428 291 2HD2 ASN 34 2HD2 ASN 34 -4.716 -4.321 2.868 292 H SER 35 H SER 35 -3.827 -1.620 7.830 293 HA SER 35 HA SER 35 -5.707 0.084 6.432 294 1HB SER 35 1HB SER 35 -5.877 -0.980 8.754 295 2HB SER 35 2HB SER 35 -4.757 0.261 9.305 296 HG SER 35 HG SER 35 -7.347 0.571 8.196 297 H GLU 36 H GLU 36 -2.531 0.571 7.963 298 HA GLU 36 HA GLU 36 -2.485 3.429 7.849 299 1HB GLU 36 1HB GLU 36 -0.945 1.372 8.812 300 2HB GLU 36 2HB GLU 36 0.027 1.921 7.445 301 1HG GLU 36 1HG GLU 36 0.684 3.174 9.406 302 2HG GLU 36 2HG GLU 36 -0.177 4.254 8.311 303 H ILE 37 H ILE 37 -1.145 0.954 5.634 304 HA ILE 37 HA ILE 37 -0.238 2.782 3.622 305 HB ILE 37 HB ILE 37 -1.109 -0.129 3.577 306 1HG1 ILE 37 1HG1 ILE 37 0.796 0.432 5.069 307 2HG1 ILE 37 2HG1 ILE 37 1.304 -0.570 3.709 308 1HG2 ILE 37 1HG2 ILE 37 0.786 0.330 1.556 309 2HG2 ILE 37 2HG2 ILE 37 -0.367 1.655 1.408 310 3HG2 ILE 37 3HG2 ILE 37 -0.929 -0.015 1.333 311 1HD1 ILE 37 1HD1 ILE 37 1.643 2.427 3.995 312 2HD1 ILE 37 2HD1 ILE 37 1.961 1.546 2.501 313 3HD1 ILE 37 3HD1 ILE 37 2.918 1.212 3.943 314 H TYR 38 H TYR 38 -3.384 1.400 4.351 315 HA TYR 38 HA TYR 38 -4.633 1.928 1.803 316 1HB TYR 38 1HB TYR 38 -5.418 0.295 3.467 317 2HB TYR 38 2HB TYR 38 -5.710 1.598 4.619 318 HD1 TYR 38 HD1 TYR 38 -7.913 2.299 4.820 319 HD2 TYR 38 HD2 TYR 38 -6.493 0.855 1.019 320 HE1 TYR 38 HE1 TYR 38 -10.180 2.661 3.842 321 HE2 TYR 38 HE2 TYR 38 -8.757 1.213 0.029 322 HH TYR 38 HH TYR 38 -11.520 1.770 1.922 323 H GLN 39 H GLN 39 -4.331 3.771 4.838 324 HA GLN 39 HA GLN 39 -6.113 5.916 3.994 325 1HB GLN 39 1HB GLN 39 -5.028 4.989 6.341 326 2HB GLN 39 2HB GLN 39 -4.056 6.432 6.054 327 1HG GLN 39 1HG GLN 39 -5.781 7.565 6.993 328 2HG GLN 39 2HG GLN 39 -6.605 7.307 5.456 329 1HE2 GLN 39 1HE2 GLN 39 -8.555 6.175 5.576 330 2HE2 GLN 39 2HE2 GLN 39 -9.034 5.208 6.886 331 H ARG 40 H ARG 40 -2.597 5.384 3.956 332 HA ARG 40 HA ARG 40 -1.924 8.073 3.102 333 1HB ARG 40 1HB ARG 40 -0.473 5.411 2.903 334 2HB ARG 40 2HB ARG 40 0.279 6.991 2.675 335 1HG ARG 40 1HG ARG 40 -0.575 7.589 5.004 336 2HG ARG 40 2HG ARG 40 -0.957 5.880 5.202 337 1HD ARG 40 1HD ARG 40 1.372 5.258 4.889 338 2HD ARG 40 2HD ARG 40 1.802 6.933 4.491 339 HE ARG 40 HE ARG 40 1.392 5.909 7.164 340 1HH1 ARG 40 1HH1 ARG 40 2.629 8.530 5.761 341 2HH1 ARG 40 2HH1 ARG 40 1.849 9.724 6.742 342 1HH2 ARG 40 1HH2 ARG 40 -0.385 7.485 8.161 343 2HH2 ARG 40 2HH2 ARG 40 0.143 9.132 8.099 344 H VAL 41 H VAL 41 -2.998 5.168 1.495 345 HA VAL 41 HA VAL 41 -2.193 6.084 -1.196 346 HB VAL 41 HB VAL 41 -3.548 3.705 0.073 347 1HG1 VAL 41 1HG1 VAL 41 -3.334 4.221 -2.911 348 2HG1 VAL 41 2HG1 VAL 41 -4.832 4.117 -1.986 349 3HG1 VAL 41 3HG1 VAL 41 -3.810 2.693 -2.171 350 1HG2 VAL 41 1HG2 VAL 41 -1.522 3.014 -1.779 351 2HG2 VAL 41 2HG2 VAL 41 -1.422 2.967 -0.020 352 3HG2 VAL 41 3HG2 VAL 41 -0.924 4.414 -0.893 353 H MET 42 H MET 42 -5.007 6.034 0.891 354 HA MET 42 HA MET 42 -6.983 6.644 -1.142 355 1HB MET 42 1HB MET 42 -6.797 6.046 1.644 356 2HB MET 42 2HB MET 42 -7.718 7.537 1.483 357 1HG MET 42 1HG MET 42 -8.337 5.270 -0.369 358 2HG MET 42 2HG MET 42 -8.916 5.178 1.293 359 1HE MET 42 1HE MET 42 -12.040 6.084 0.855 360 2HE MET 42 2HE MET 42 -10.900 4.805 0.468 361 3HE MET 42 3HE MET 42 -11.720 5.656 -0.832 362 H GLU 43 H GLU 43 -5.180 8.617 1.234 363 HA GLU 43 HA GLU 43 -6.406 11.124 0.673 364 1HB GLU 43 1HB GLU 43 -3.889 10.080 1.871 365 2HB GLU 43 2HB GLU 43 -3.888 11.783 1.410 366 1HG GLU 43 1HG GLU 43 -6.345 10.962 2.786 367 2HG GLU 43 2HG GLU 43 -4.899 10.779 3.779 368 H SER 44 H SER 44 -3.899 9.323 -1.026 369 HA SER 44 HA SER 44 -2.843 11.452 -2.629 370 1HB SER 44 1HB SER 44 -2.823 8.523 -2.473 371 2HB SER 44 2HB SER 44 -2.694 9.116 -4.126 372 HG SER 44 HG SER 44 -0.839 10.095 -3.648 373 H PHE 45 H PHE 45 -5.396 9.035 -3.341 374 HA PHE 45 HA PHE 45 -6.089 10.091 -5.920 375 1HB PHE 45 1HB PHE 45 -7.518 8.426 -3.831 376 2HB PHE 45 2HB PHE 45 -8.194 8.734 -5.429 377 HD1 PHE 45 HD1 PHE 45 -6.628 6.269 -3.681 378 HD2 PHE 45 HD2 PHE 45 -6.065 8.543 -7.308 379 HE1 PHE 45 HE1 PHE 45 -5.262 4.413 -4.632 380 HE2 PHE 45 HE2 PHE 45 -4.699 6.689 -8.257 381 HZ PHE 45 HZ PHE 45 -4.301 4.622 -6.922 382 H LYS 46 H LYS 46 -6.915 11.069 -2.667 383 HA LYS 46 HA LYS 46 -9.341 12.517 -3.327 384 1HB LYS 46 1HB LYS 46 -8.279 11.583 -1.076 385 2HB LYS 46 2HB LYS 46 -7.573 13.197 -1.006 386 1HG LYS 46 1HG LYS 46 -9.943 14.082 -1.441 387 2HG LYS 46 2HG LYS 46 -10.500 12.449 -1.079 388 1HD LYS 46 1HD LYS 46 -8.623 13.241 0.941 389 2HD LYS 46 2HD LYS 46 -9.831 14.514 0.765 390 1HE LYS 46 1HE LYS 46 -10.910 11.748 0.766 391 2HE LYS 46 2HE LYS 46 -10.230 12.310 2.307 392 1HZ LYS 46 1HZ LYS 46 -12.000 14.035 0.681 393 2HZ LYS 46 2HZ LYS 46 -11.610 14.167 2.330 394 3HZ LYS 46 3HZ LYS 46 -12.640 12.929 1.792 395 H LYS 47 H LYS 47 -5.901 13.393 -3.074 396 HA LYS 47 HA LYS 47 -6.130 16.214 -3.185 397 1HB LYS 47 1HB LYS 47 -4.119 14.548 -2.904 398 2HB LYS 47 2HB LYS 47 -4.000 14.684 -4.660 399 1HG LYS 47 1HG LYS 47 -3.681 17.060 -4.539 400 2HG LYS 47 2HG LYS 47 -4.096 17.090 -2.825 401 1HD LYS 47 1HD LYS 47 -2.071 16.092 -2.187 402 2HD LYS 47 2HD LYS 47 -1.783 15.427 -3.795 403 1HE LYS 47 1HE LYS 47 -1.937 18.409 -3.524 404 2HE LYS 47 2HE LYS 47 -0.458 17.588 -2.990 405 1HZ LYS 47 1HZ LYS 47 -0.157 17.953 -5.277 406 2HZ LYS 47 2HZ LYS 47 -1.745 17.484 -5.656 407 3HZ LYS 47 3HZ LYS 47 -0.610 16.322 -5.160 408 H GLU 48 H GLU 48 -5.621 13.960 -5.935 409 HA GLU 48 HA GLU 48 -5.892 15.914 -7.994 410 1HB GLU 48 1HB GLU 48 -6.402 12.928 -7.861 411 2HB GLU 48 2HB GLU 48 -6.371 13.839 -9.371 412 1HG GLU 48 1HG GLU 48 -4.069 14.572 -8.895 413 2HG GLU 48 2HG GLU 48 -4.094 13.678 -7.375 414 H GLY 49 H GLY 49 -8.310 13.812 -6.425 415 1HA GLY 49 1HA GLY 49 -10.580 14.718 -6.071 416 2HA GLY 49 2HA GLY 49 -10.420 15.553 -7.616 417 H ARG 50 H ARG 50 -9.359 12.235 -7.158 418 HA ARG 50 HA ARG 50 -11.100 11.348 -9.342 419 1HB ARG 50 1HB ARG 50 -8.870 10.304 -7.662 420 2HB ARG 50 2HB ARG 50 -9.927 9.110 -8.416 421 1HG ARG 50 1HG ARG 50 -8.949 11.370 -10.108 422 2HG ARG 50 2HG ARG 50 -7.806 10.089 -9.703 423 1HD ARG 50 1HD ARG 50 -9.215 8.401 -10.693 424 2HD ARG 50 2HD ARG 50 -10.550 9.553 -10.878 425 HE ARG 50 HE ARG 50 -8.213 9.381 -12.611 426 1HH1 ARG 50 1HH1 ARG 50 -11.250 10.467 -12.689 427 2HH1 ARG 50 2HH1 ARG 50 -10.930 12.040 -13.335 428 1HH2 ARG 50 1HH2 ARG 50 -7.507 11.828 -12.836 429 2HH2 ARG 50 2HH2 ARG 50 -8.809 12.811 -13.419 430 H ILE 51 H ILE 51 -10.840 10.773 -5.828 431 HA ILE 51 HA ILE 51 -13.520 9.417 -5.930 432 HB ILE 51 HB ILE 51 -12.720 8.360 -3.800 433 1HG1 ILE 51 1HG1 ILE 51 -9.953 9.324 -4.390 434 2HG1 ILE 51 2HG1 ILE 51 -11.040 10.436 -3.563 435 1HG2 ILE 51 1HG2 ILE 51 -12.280 7.457 -6.189 436 2HG2 ILE 51 2HG2 ILE 51 -11.320 6.782 -4.870 437 3HG2 ILE 51 3HG2 ILE 51 -10.620 8.000 -5.936 438 1HD1 ILE 51 1HD1 ILE 51 -10.450 9.360 -1.664 439 2HD1 ILE 51 2HD1 ILE 51 -9.741 8.012 -2.554 440 3HD1 ILE 51 3HD1 ILE 51 -11.470 8.044 -2.235 441 H GLY 52 H GLY 52 -14.090 9.606 -3.191 442 1HA GLY 52 1HA GLY 52 -14.120 11.432 -1.452 443 2HA GLY 52 2HA GLY 52 -14.290 12.567 -2.794 444 H ALA 53 H ALA 53 -15.920 9.537 -1.778 445 HA ALA 53 HA ALA 53 -18.530 10.907 -2.350 446 1HB ALA 53 1HB ALA 53 -19.290 8.485 -2.631 447 2HB ALA 53 2HB ALA 53 -17.590 8.030 -2.497 448 3HB ALA 53 3HB ALA 53 -18.130 9.052 -3.830 449 1H MET 1 1H MET 1 -18.270 -15.106 -14.656 450 2H MET 1 2H MET 1 -18.260 -16.501 -15.625 451 3H MET 1 3H MET 1 -19.480 -15.342 -15.819 452 HA MET 1 HA MET 1 -17.640 -15.315 -17.547 453 1HB MET 1 1HB MET 1 -19.030 -13.251 -15.999 454 2HB MET 1 2HB MET 1 -17.570 -12.637 -16.788 455 1HG MET 1 1HG MET 1 -18.350 -13.166 -18.932 456 2HG MET 1 2HG MET 1 -19.500 -14.358 -18.324 457 1HE MET 1 1HE MET 1 -21.240 -12.308 -20.317 458 2HE MET 1 2HE MET 1 -22.430 -12.753 -19.100 459 3HE MET 1 3HE MET 1 -21.150 -13.884 -19.520 460 H LYS 2 H LYS 2 -16.810 -13.348 -14.665 461 HA LYS 2 HA LYS 2 -13.980 -13.346 -15.315 462 1HB LYS 2 1HB LYS 2 -13.830 -12.162 -13.155 463 2HB LYS 2 2HB LYS 2 -15.190 -11.551 -14.099 464 1HG LYS 2 1HG LYS 2 -16.780 -12.775 -12.794 465 2HG LYS 2 2HG LYS 2 -15.510 -13.740 -12.037 466 1HD LYS 2 1HD LYS 2 -14.950 -10.950 -11.610 467 2HD LYS 2 2HD LYS 2 -16.610 -11.296 -11.103 468 1HE LYS 2 1HE LYS 2 -14.240 -13.004 -10.264 469 2HE LYS 2 2HE LYS 2 -14.870 -11.662 -9.287 470 1HZ LYS 2 1HZ LYS 2 -16.050 -13.569 -8.587 471 2HZ LYS 2 2HZ LYS 2 -16.310 -14.094 -10.181 472 3HZ LYS 2 3HZ LYS 2 -17.120 -12.720 -9.589 473 H GLY 3 H GLY 3 -12.310 -14.532 -14.293 474 1HA GLY 3 1HA GLY 3 -13.020 -16.512 -12.223 475 2HA GLY 3 2HA GLY 3 -12.440 -17.170 -13.756 476 H MET 4 H MET 4 -10.320 -16.131 -14.538 477 HA MET 4 HA MET 4 -8.358 -16.368 -12.384 478 1HB MET 4 1HB MET 4 -8.518 -16.398 -15.290 479 2HB MET 4 2HB MET 4 -7.134 -15.454 -14.739 480 1HG MET 4 1HG MET 4 -6.210 -17.280 -13.558 481 2HG MET 4 2HG MET 4 -7.730 -18.174 -13.578 482 1HE MET 4 1HE MET 4 -5.817 -19.668 -13.850 483 2HE MET 4 2HE MET 4 -4.744 -19.793 -15.242 484 3HE MET 4 3HE MET 4 -6.277 -20.661 -15.240 485 H SER 5 H SER 5 -7.274 -14.685 -11.379 486 HA SER 5 HA SER 5 -7.616 -11.919 -12.463 487 1HB SER 5 1HB SER 5 -8.107 -12.842 -9.613 488 2HB SER 5 2HB SER 5 -8.220 -11.179 -10.183 489 HG SER 5 HG SER 5 -10.180 -12.688 -10.088 490 H LYS 6 H LYS 6 -6.275 -10.515 -10.547 491 HA LYS 6 HA LYS 6 -3.716 -11.910 -9.964 492 1HB LYS 6 1HB LYS 6 -4.251 -10.070 -12.157 493 2HB LYS 6 2HB LYS 6 -2.984 -9.448 -11.102 494 1HG LYS 6 1HG LYS 6 -2.095 -11.941 -11.242 495 2HG LYS 6 2HG LYS 6 -3.021 -11.950 -12.744 496 1HD LYS 6 1HD LYS 6 -1.658 -10.393 -13.760 497 2HD LYS 6 2HD LYS 6 -1.249 -9.603 -12.237 498 1HE LYS 6 1HE LYS 6 -0.290 -12.356 -12.276 499 2HE LYS 6 2HE LYS 6 0.376 -11.411 -13.622 500 1HZ LYS 6 1HZ LYS 6 1.146 -9.759 -12.174 501 2HZ LYS 6 2HZ LYS 6 1.563 -11.213 -11.400 502 3HZ LYS 6 3HZ LYS 6 0.216 -10.324 -10.873 503 H MET 7 H MET 7 -5.592 -11.056 -8.074 504 HA MET 7 HA MET 7 -4.710 -8.393 -7.096 505 1HB MET 7 1HB MET 7 -6.955 -10.308 -6.672 506 2HB MET 7 2HB MET 7 -6.529 -9.275 -5.307 507 1HG MET 7 1HG MET 7 -6.771 -7.279 -6.709 508 2HG MET 7 2HG MET 7 -7.126 -8.287 -8.111 509 1HE MET 7 1HE MET 7 -10.060 -6.278 -5.758 510 2HE MET 7 2HE MET 7 -9.272 -5.988 -7.307 511 3HE MET 7 3HE MET 7 -8.306 -6.061 -5.836 512 HA PRO 8 HA PRO 8 -1.865 -10.420 -4.331 513 1HB PRO 8 1HB PRO 8 -1.266 -8.261 -2.761 514 2HB PRO 8 2HB PRO 8 -0.609 -8.478 -4.395 515 1HG PRO 8 1HG PRO 8 -2.848 -6.756 -3.469 516 2HG PRO 8 2HG PRO 8 -1.612 -6.439 -4.696 517 1HD PRO 8 1HD PRO 8 -4.182 -7.178 -5.273 518 2HD PRO 8 2HD PRO 8 -2.796 -7.493 -6.341 519 H GLN 9 H GLN 9 -1.822 -11.066 -2.057 520 HA GLN 9 HA GLN 9 -4.467 -11.229 -0.840 521 1HB GLN 9 1HB GLN 9 -1.674 -12.053 0.010 522 2HB GLN 9 2HB GLN 9 -3.138 -12.492 0.891 523 1HG GLN 9 1HG GLN 9 -2.759 -13.106 -2.047 524 2HG GLN 9 2HG GLN 9 -2.292 -14.232 -0.772 525 1HE2 GLN 9 1HE2 GLN 9 -4.821 -13.550 -2.831 526 2HE2 GLN 9 2HE2 GLN 9 -6.103 -14.180 -1.914 527 H PHE 10 H PHE 10 -1.921 -8.927 -0.681 528 HA PHE 10 HA PHE 10 -2.340 -8.100 2.090 529 1HB PHE 10 1HB PHE 10 -0.201 -7.817 0.934 530 2HB PHE 10 2HB PHE 10 -0.976 -6.833 -0.308 531 HD1 PHE 10 HD1 PHE 10 -1.404 -4.502 0.029 532 HD2 PHE 10 HD2 PHE 10 -0.138 -6.980 3.328 533 HE1 PHE 10 HE1 PHE 10 -1.083 -2.468 1.433 534 HE2 PHE 10 HE2 PHE 10 0.184 -4.947 4.732 535 HZ PHE 10 HZ PHE 10 -0.287 -2.691 3.784 536 H LEU 11 H LEU 11 -3.531 -7.097 -1.099 537 HA LEU 11 HA LEU 11 -4.960 -4.773 0.039 538 1HB LEU 11 1HB LEU 11 -4.853 -6.010 -2.732 539 2HB LEU 11 2HB LEU 11 -5.584 -4.453 -2.346 540 HG LEU 11 HG LEU 11 -2.691 -5.108 -1.740 541 1HD1 LEU 11 1HD1 LEU 11 -2.122 -4.662 -3.876 542 2HD1 LEU 11 2HD1 LEU 11 -3.132 -3.218 -3.905 543 3HD1 LEU 11 3HD1 LEU 11 -3.833 -4.791 -4.284 544 1HD2 LEU 11 1HD2 LEU 11 -4.461 -2.687 -1.593 545 2HD2 LEU 11 2HD2 LEU 11 -2.744 -2.468 -1.928 546 3HD2 LEU 11 3HD2 LEU 11 -3.257 -3.260 -0.438 547 H ASN 12 H ASN 12 -5.606 -7.859 0.475 548 HA ASN 12 HA ASN 12 -8.188 -8.351 -0.662 549 1HB ASN 12 1HB ASN 12 -6.304 -9.664 0.880 550 2HB ASN 12 2HB ASN 12 -7.644 -9.462 2.008 551 1HD2 ASN 12 1HD2 ASN 12 -6.935 -10.650 -1.316 552 2HD2 ASN 12 2HD2 ASN 12 -8.190 -11.794 -1.334 553 H ARG 13 H ARG 13 -7.136 -6.488 2.127 554 HA ARG 13 HA ARG 13 -9.818 -6.307 3.297 555 1HB ARG 13 1HB ARG 13 -7.069 -5.214 3.819 556 2HB ARG 13 2HB ARG 13 -8.454 -4.500 4.648 557 1HG ARG 13 1HG ARG 13 -9.100 -6.739 5.483 558 2HG ARG 13 2HG ARG 13 -7.692 -7.435 4.682 559 1HD ARG 13 1HD ARG 13 -6.190 -6.061 6.064 560 2HD ARG 13 2HD ARG 13 -7.592 -5.304 6.847 561 HE ARG 13 HE ARG 13 -7.316 -8.273 6.929 562 1HH1 ARG 13 1HH1 ARG 13 -9.457 -6.768 8.429 563 2HH1 ARG 13 2HH1 ARG 13 -8.793 -6.708 10.027 564 1HH2 ARG 13 1HH2 ARG 13 -5.579 -7.522 9.007 565 2HH2 ARG 13 2HH2 ARG 13 -6.597 -7.135 10.355 566 H TRP 14 H TRP 14 -7.901 -4.515 1.009 567 HA TRP 14 HA TRP 14 -9.163 -1.960 1.187 568 1HB TRP 14 1HB TRP 14 -7.751 -3.537 -0.967 569 2HB TRP 14 2HB TRP 14 -8.319 -1.895 -1.236 570 HD1 TRP 14 HD1 TRP 14 -6.858 -3.079 2.119 571 HE1 TRP 14 HE1 TRP 14 -4.697 -1.749 2.577 572 HE3 TRP 14 HE3 TRP 14 -6.464 -0.585 -2.289 573 HZ2 TRP 14 HZ2 TRP 14 -3.000 0.151 1.225 574 HZ3 TRP 14 HZ3 TRP 14 -4.566 0.986 -2.711 575 HH2 TRP 14 HH2 TRP 14 -2.839 1.356 -0.951 576 HA PRO 15 HA PRO 15 -13.150 -3.025 -0.383 577 1HB PRO 15 1HB PRO 15 -13.960 -0.556 -1.254 578 2HB PRO 15 2HB PRO 15 -13.930 -1.025 0.456 579 1HG PRO 15 1HG PRO 15 -11.960 0.583 -1.103 580 2HG PRO 15 2HG PRO 15 -12.550 0.821 0.549 581 1HD PRO 15 1HD PRO 15 -10.140 -0.281 -0.002 582 2HD PRO 15 2HD PRO 15 -11.090 -0.716 1.435 583 H ARG 16 H ARG 16 -14.450 -2.673 -2.499 584 HA ARG 16 HA ARG 16 -12.740 -3.359 -4.735 585 1HB ARG 16 1HB ARG 16 -14.660 -4.534 -4.982 586 2HB ARG 16 2HB ARG 16 -15.510 -3.504 -3.849 587 1HG ARG 16 1HG ARG 16 -16.230 -2.032 -5.514 588 2HG ARG 16 2HG ARG 16 -14.990 -2.558 -6.656 589 1HD ARG 16 1HD ARG 16 -16.230 -4.348 -7.372 590 2HD ARG 16 2HD ARG 16 -16.880 -4.669 -5.749 591 HE ARG 16 HE ARG 16 -17.840 -2.419 -7.478 592 1HH1 ARG 16 1HH1 ARG 16 -19.210 -5.198 -7.031 593 2HH1 ARG 16 2HH1 ARG 16 -20.460 -4.734 -5.930 594 1HH2 ARG 16 1HH2 ARG 16 -19.050 -1.650 -5.211 595 2HH2 ARG 16 2HH2 ARG 16 -20.370 -2.724 -4.900 596 H GLU 17 H GLU 17 -14.230 -0.451 -3.524 597 HA GLU 17 HA GLU 17 -14.300 0.991 -6.037 598 1HB GLU 17 1HB GLU 17 -14.580 1.566 -3.108 599 2HB GLU 17 2HB GLU 17 -14.390 2.920 -4.222 600 1HG GLU 17 1HG GLU 17 -16.570 2.763 -4.738 601 2HG GLU 17 2HG GLU 17 -16.270 1.161 -5.409 602 H VAL 18 H VAL 18 -12.060 0.979 -3.238 603 HA VAL 18 HA VAL 18 -10.240 2.910 -4.362 604 HB VAL 18 HB VAL 18 -9.936 0.739 -2.258 605 1HG1 VAL 18 1HG1 VAL 18 -8.064 2.302 -1.472 606 2HG1 VAL 18 2HG1 VAL 18 -8.168 3.063 -3.060 607 3HG1 VAL 18 3HG1 VAL 18 -7.726 1.360 -2.924 608 1HG2 VAL 18 1HG2 VAL 18 -11.670 2.398 -1.739 609 2HG2 VAL 18 2HG2 VAL 18 -10.540 3.710 -2.091 610 3HG2 VAL 18 3HG2 VAL 18 -10.260 2.659 -0.704 611 H LEU 19 H LEU 19 -10.330 -0.647 -4.384 612 HA LEU 19 HA LEU 19 -7.794 -1.054 -5.644 613 1HB LEU 19 1HB LEU 19 -10.350 -2.598 -5.283 614 2HB LEU 19 2HB LEU 19 -9.053 -3.269 -6.269 615 HG LEU 19 HG LEU 19 -8.591 -2.242 -3.461 616 1HD1 LEU 19 1HD1 LEU 19 -8.808 -5.162 -4.118 617 2HD1 LEU 19 2HD1 LEU 19 -10.280 -4.244 -3.809 618 3HD1 LEU 19 3HD1 LEU 19 -9.031 -4.348 -2.570 619 1HD2 LEU 19 1HD2 LEU 19 -6.889 -3.047 -5.560 620 2HD2 LEU 19 2HD2 LEU 19 -6.909 -4.398 -4.426 621 3HD2 LEU 19 3HD2 LEU 19 -6.442 -2.789 -3.873 622 H ASP 20 H ASP 20 -11.020 -0.375 -6.932 623 HA ASP 20 HA ASP 20 -10.410 -1.051 -9.682 624 1HB ASP 20 1HB ASP 20 -12.640 -0.523 -8.247 625 2HB ASP 20 2HB ASP 20 -12.420 1.049 -9.014 626 H LEU 21 H LEU 21 -9.793 1.720 -7.662 627 HA LEU 21 HA LEU 21 -9.264 3.527 -9.933 628 1HB LEU 21 1HB LEU 21 -10.300 4.330 -7.873 629 2HB LEU 21 2HB LEU 21 -8.957 3.724 -6.918 630 HG LEU 21 HG LEU 21 -7.448 5.267 -8.217 631 1HD1 LEU 21 1HD1 LEU 21 -8.355 6.935 -9.638 632 2HD1 LEU 21 2HD1 LEU 21 -10.000 6.629 -9.083 633 3HD1 LEU 21 3HD1 LEU 21 -9.185 5.456 -10.119 634 1HD2 LEU 21 1HD2 LEU 21 -9.762 6.420 -6.638 635 2HD2 LEU 21 2HD2 LEU 21 -8.319 7.341 -7.063 636 3HD2 LEU 21 3HD2 LEU 21 -8.188 5.928 -6.015 637 H VAL 22 H VAL 22 -7.446 1.708 -7.480 638 HA VAL 22 HA VAL 22 -4.840 2.744 -8.090 639 HB VAL 22 HB VAL 22 -5.584 -0.018 -7.071 640 1HG1 VAL 22 1HG1 VAL 22 -3.169 0.565 -7.614 641 2HG1 VAL 22 2HG1 VAL 22 -3.466 0.060 -5.951 642 3HG1 VAL 22 3HG1 VAL 22 -3.257 1.769 -6.329 643 1HG2 VAL 22 1HG2 VAL 22 -6.313 2.517 -5.969 644 2HG2 VAL 22 2HG2 VAL 22 -5.043 1.838 -4.950 645 3HG2 VAL 22 3HG2 VAL 22 -6.522 0.921 -5.246 646 H ARG 23 H ARG 23 -6.495 -0.261 -9.136 647 HA ARG 23 HA ARG 23 -4.441 -1.237 -10.839 648 1HB ARG 23 1HB ARG 23 -6.314 -2.552 -11.815 649 2HB ARG 23 2HB ARG 23 -6.389 -2.519 -10.054 650 1HG ARG 23 1HG ARG 23 -8.585 -1.985 -10.547 651 2HG ARG 23 2HG ARG 23 -7.887 -0.367 -10.507 652 1HD ARG 23 1HD ARG 23 -8.571 -0.080 -12.649 653 2HD ARG 23 2HD ARG 23 -7.464 -1.378 -13.138 654 HE ARG 23 HE ARG 23 -9.920 -2.389 -11.935 655 1HH1 ARG 23 1HH1 ARG 23 -10.270 -0.455 -14.422 656 2HH1 ARG 23 2HH1 ARG 23 -10.500 -1.645 -15.659 657 1HH2 ARG 23 1HH2 ARG 23 -9.419 -4.288 -13.695 658 2HH2 ARG 23 2HH2 ARG 23 -10.020 -3.813 -15.247 659 H LYS 24 H LYS 24 -7.051 1.095 -11.459 660 HA LYS 24 HA LYS 24 -6.588 1.257 -14.323 661 1HB LYS 24 1HB LYS 24 -8.464 2.100 -12.423 662 2HB LYS 24 2HB LYS 24 -7.763 3.599 -13.037 663 1HG LYS 24 1HG LYS 24 -8.659 1.405 -14.904 664 2HG LYS 24 2HG LYS 24 -9.784 2.629 -14.317 665 1HD LYS 24 1HD LYS 24 -8.499 4.405 -15.290 666 2HD LYS 24 2HD LYS 24 -7.151 3.321 -15.639 667 1HE LYS 24 1HE LYS 24 -8.882 1.997 -17.080 668 2HE LYS 24 2HE LYS 24 -9.828 3.499 -17.019 669 1HZ LYS 24 1HZ LYS 24 -7.941 4.727 -17.814 670 2HZ LYS 24 2HZ LYS 24 -8.244 3.450 -18.893 671 3HZ LYS 24 3HZ LYS 24 -6.960 3.344 -17.784 672 H VAL 25 H VAL 25 -5.188 2.746 -11.489 673 HA VAL 25 HA VAL 25 -3.921 4.944 -12.990 674 HB VAL 25 HB VAL 25 -3.748 3.922 -10.135 675 1HG1 VAL 25 1HG1 VAL 25 -2.469 5.797 -9.567 676 2HG1 VAL 25 2HG1 VAL 25 -2.914 6.670 -11.035 677 3HG1 VAL 25 3HG1 VAL 25 -1.771 5.329 -11.117 678 1HG2 VAL 25 1HG2 VAL 25 -5.004 6.519 -10.873 679 2HG2 VAL 25 2HG2 VAL 25 -5.466 5.360 -9.627 680 3HG2 VAL 25 3HG2 VAL 25 -5.886 5.058 -11.314 681 H ALA 26 H ALA 26 -3.157 1.688 -12.030 682 HA ALA 26 HA ALA 26 -0.248 2.030 -12.232 683 1HB ALA 26 1HB ALA 26 -0.714 -0.639 -12.288 684 2HB ALA 26 2HB ALA 26 -2.256 -0.084 -11.639 685 3HB ALA 26 3HB ALA 26 -0.756 0.301 -10.797 686 H GLU 27 H GLU 27 -2.928 1.010 -14.274 687 HA GLU 27 HA GLU 27 -1.249 -0.084 -16.396 688 1HB GLU 27 1HB GLU 27 -3.660 -0.667 -15.733 689 2HB GLU 27 2HB GLU 27 -4.130 0.837 -16.528 690 1HG GLU 27 1HG GLU 27 -2.526 -0.262 -18.435 691 2HG GLU 27 2HG GLU 27 -3.212 -1.713 -17.708 692 H GLU 28 H GLU 28 -2.393 3.085 -15.490 693 HA GLU 28 HA GLU 28 -2.014 4.175 -18.223 694 1HB GLU 28 1HB GLU 28 -2.870 6.227 -17.200 695 2HB GLU 28 2HB GLU 28 -3.880 4.867 -16.709 696 1HG GLU 28 1HG GLU 28 -2.785 4.745 -14.560 697 2HG GLU 28 2HG GLU 28 -1.584 5.939 -15.048 698 H ASN 29 H ASN 29 -0.364 4.091 -15.105 699 HA ASN 29 HA ASN 29 1.648 6.083 -15.894 700 1HB ASN 29 1HB ASN 29 0.656 4.836 -13.543 701 2HB ASN 29 2HB ASN 29 2.370 4.434 -13.644 702 1HD2 ASN 29 1HD2 ASN 29 0.083 7.047 -13.139 703 2HD2 ASN 29 2HD2 ASN 29 1.237 8.253 -12.831 704 H GLY 30 H GLY 30 1.170 3.052 -17.031 705 1HA GLY 30 1HA GLY 30 2.581 1.524 -18.107 706 2HA GLY 30 2HA GLY 30 3.856 2.736 -17.979 707 H ARG 31 H ARG 31 2.230 1.682 -15.091 708 HA ARG 31 HA ARG 31 4.612 -0.001 -14.381 709 1HB ARG 31 1HB ARG 31 3.086 1.949 -12.625 710 2HB ARG 31 2HB ARG 31 4.532 1.047 -12.170 711 1HG ARG 31 1HG ARG 31 5.452 2.252 -14.403 712 2HG ARG 31 2HG ARG 31 4.265 3.452 -13.890 713 1HD ARG 31 1HD ARG 31 5.445 2.928 -11.500 714 2HD ARG 31 2HD ARG 31 6.816 2.663 -12.593 715 HE ARG 31 HE ARG 31 5.236 5.193 -12.427 716 1HH1 ARG 31 1HH1 ARG 31 6.467 4.583 -15.125 717 2HH1 ARG 31 2HH1 ARG 31 7.991 5.397 -15.002 718 1HH2 ARG 31 1HH2 ARG 31 7.841 5.719 -11.554 719 2HH2 ARG 31 2HH2 ARG 31 8.767 6.043 -12.981 720 H SER 32 H SER 32 3.624 -0.634 -11.794 721 HA SER 32 HA SER 32 1.230 -2.298 -12.474 722 1HB SER 32 1HB SER 32 3.258 -2.855 -10.309 723 2HB SER 32 2HB SER 32 2.203 -3.996 -11.139 724 HG SER 32 HG SER 32 4.198 -4.217 -12.048 725 H VAL 33 H VAL 33 0.172 -2.961 -10.175 726 HA VAL 33 HA VAL 33 -0.756 -0.469 -9.002 727 HB VAL 33 HB VAL 33 -1.229 -3.403 -8.408 728 1HG1 VAL 33 1HG1 VAL 33 -3.439 -1.758 -7.720 729 2HG1 VAL 33 2HG1 VAL 33 -2.008 -1.036 -6.987 730 3HG1 VAL 33 3HG1 VAL 33 -2.425 -2.713 -6.639 731 1HG2 VAL 33 1HG2 VAL 33 -2.577 -1.341 -10.168 732 2HG2 VAL 33 2HG2 VAL 33 -3.394 -2.823 -9.663 733 3HG2 VAL 33 3HG2 VAL 33 -1.925 -2.913 -10.638 734 H ASN 34 H ASN 34 1.820 -2.656 -8.311 735 HA ASN 34 HA ASN 34 1.933 -2.192 -5.421 736 1HB ASN 34 1HB ASN 34 2.836 -4.210 -6.497 737 2HB ASN 34 2HB ASN 34 3.924 -3.225 -7.475 738 1HD2 ASN 34 1HD2 ASN 34 3.172 -3.984 -4.034 739 2HD2 ASN 34 2HD2 ASN 34 4.756 -3.729 -3.478 740 H SER 35 H SER 35 3.576 -0.920 -8.317 741 HA SER 35 HA SER 35 5.315 0.887 -6.864 742 1HB SER 35 1HB SER 35 5.549 -0.065 -9.230 743 2HB SER 35 2HB SER 35 4.320 1.098 -9.720 744 HG SER 35 HG SER 35 6.883 1.585 -8.611 745 H GLU 36 H GLU 36 2.092 1.153 -8.353 746 HA GLU 36 HA GLU 36 1.793 3.988 -8.115 747 1HB GLU 36 1HB GLU 36 0.431 1.845 -9.155 748 2HB GLU 36 2HB GLU 36 -0.570 2.248 -7.759 749 1HG GLU 36 1HG GLU 36 -1.353 3.520 -9.665 750 2HG GLU 36 2HG GLU 36 -0.585 4.623 -8.526 751 H ILE 37 H ILE 37 0.702 1.312 -5.999 752 HA ILE 37 HA ILE 37 -0.348 2.968 -3.908 753 HB ILE 37 HB ILE 37 0.780 0.149 -4.002 754 1HG1 ILE 37 1HG1 ILE 37 -1.193 0.598 -5.440 755 2HG1 ILE 37 2HG1 ILE 37 -1.591 -0.497 -4.118 756 1HG2 ILE 37 1HG2 ILE 37 -1.122 0.363 -1.935 757 2HG2 ILE 37 2HG2 ILE 37 -0.051 1.752 -1.738 758 3HG2 ILE 37 3HG2 ILE 37 0.616 0.121 -1.756 759 1HD1 ILE 37 1HD1 ILE 37 -2.186 2.470 -4.272 760 2HD1 ILE 37 2HD1 ILE 37 -2.410 1.501 -2.817 761 3HD1 ILE 37 3HD1 ILE 37 -3.354 1.148 -4.262 762 H TYR 38 H TYR 38 2.901 1.901 -4.712 763 HA TYR 38 HA TYR 38 4.126 2.440 -2.155 764 1HB TYR 38 1HB TYR 38 5.034 0.950 -3.892 765 2HB TYR 38 2HB TYR 38 5.204 2.322 -4.990 766 HD1 TYR 38 HD1 TYR 38 7.332 3.227 -5.166 767 HD2 TYR 38 HD2 TYR 38 6.077 1.495 -1.427 768 HE1 TYR 38 HE1 TYR 38 9.564 3.751 -4.180 769 HE2 TYR 38 HE2 TYR 38 8.307 2.014 -0.431 770 HH TYR 38 HH TYR 38 10.993 2.905 -2.303 771 H GLN 39 H GLN 39 3.631 4.372 -5.110 772 HA GLN 39 HA GLN 39 5.223 6.630 -4.185 773 1HB GLN 39 1HB GLN 39 4.200 5.710 -6.565 774 2HB GLN 39 2HB GLN 39 3.111 7.051 -6.208 775 1HG GLN 39 1HG GLN 39 4.719 8.369 -7.108 776 2HG GLN 39 2HG GLN 39 5.580 8.117 -5.589 777 1HE2 GLN 39 1HE2 GLN 39 7.621 7.171 -5.776 778 2HE2 GLN 39 2HE2 GLN 39 8.169 6.306 -7.130 779 H ARG 40 H ARG 40 1.768 5.784 -4.149 780 HA ARG 40 HA ARG 40 0.867 8.364 -3.177 781 1HB ARG 40 1HB ARG 40 -0.339 5.576 -3.085 782 2HB ARG 40 2HB ARG 40 -1.227 7.069 -2.780 783 1HG ARG 40 1HG ARG 40 -0.462 7.845 -5.087 784 2HG ARG 40 2HG ARG 40 0.075 6.188 -5.365 785 1HD ARG 40 1HD ARG 40 -2.185 5.339 -5.052 786 2HD ARG 40 2HD ARG 40 -2.762 6.951 -4.587 787 HE ARG 40 HE ARG 40 -2.292 6.072 -7.300 788 1HH1 ARG 40 1HH1 ARG 40 -3.775 8.501 -5.819 789 2HH1 ARG 40 2HH1 ARG 40 -3.107 9.805 -6.742 790 1HH2 ARG 40 1HH2 ARG 40 -0.646 7.851 -8.212 791 2HH2 ARG 40 2HH2 ARG 40 -1.334 9.436 -8.099 792 H VAL 41 H VAL 41 2.219 5.507 -1.703 793 HA VAL 41 HA VAL 41 1.359 6.230 1.028 794 HB VAL 41 HB VAL 41 2.898 4.033 -0.352 795 1HG1 VAL 41 1HG1 VAL 41 2.671 4.383 2.656 796 2HG1 VAL 41 2HG1 VAL 41 4.163 4.476 1.720 797 3HG1 VAL 41 3HG1 VAL 41 3.288 2.949 1.834 798 1HG2 VAL 41 1HG2 VAL 41 0.959 3.089 1.482 799 2HG2 VAL 41 2HG2 VAL 41 0.843 3.117 -0.276 800 3HG2 VAL 41 3HG2 VAL 41 0.236 4.475 0.668 801 H MET 42 H MET 42 4.142 6.523 -1.080 802 HA MET 42 HA MET 42 6.079 7.215 0.965 803 1HB MET 42 1HB MET 42 5.919 6.720 -1.843 804 2HB MET 42 2HB MET 42 6.705 8.279 -1.624 805 1HG MET 42 1HG MET 42 7.547 6.010 0.132 806 2HG MET 42 2HG MET 42 8.107 6.026 -1.539 807 1HE MET 42 1HE MET 42 11.160 7.191 -1.084 808 2HE MET 42 2HE MET 42 10.130 5.802 -0.748 809 3HE MET 42 3HE MET 42 10.886 6.673 0.584 810 H GLU 43 H GLU 43 4.091 9.121 -1.316 811 HA GLU 43 HA GLU 43 5.086 11.701 -0.655 812 1HB GLU 43 1HB GLU 43 2.657 10.485 -1.874 813 2HB GLU 43 2HB GLU 43 2.511 12.161 -1.344 814 1HG GLU 43 1HG GLU 43 5.014 11.620 -2.776 815 2HG GLU 43 2HG GLU 43 3.575 11.347 -3.760 816 H SER 44 H SER 44 2.764 9.614 0.976 817 HA SER 44 HA SER 44 1.539 11.565 2.678 818 1HB SER 44 1HB SER 44 1.787 8.657 2.398 819 2HB SER 44 2HB SER 44 1.624 9.164 4.077 820 HG SER 44 HG SER 44 -0.314 10.009 3.648 821 H PHE 45 H PHE 45 4.306 9.363 3.276 822 HA PHE 45 HA PHE 45 4.929 10.370 5.889 823 1HB PHE 45 1HB PHE 45 6.485 8.933 3.724 824 2HB PHE 45 2HB PHE 45 7.143 9.231 5.331 825 HD1 PHE 45 HD1 PHE 45 5.798 6.712 3.482 826 HD2 PHE 45 HD2 PHE 45 5.056 8.761 7.210 827 HE1 PHE 45 HE1 PHE 45 4.617 4.699 4.354 828 HE2 PHE 45 HE2 PHE 45 3.874 6.748 8.079 829 HZ PHE 45 HZ PHE 45 3.660 4.715 6.654 830 H LYS 46 H LYS 46 5.636 11.554 2.676 831 HA LYS 46 HA LYS 46 7.929 13.187 3.386 832 1HB LYS 46 1HB LYS 46 6.932 12.256 1.104 833 2HB LYS 46 2HB LYS 46 6.081 13.801 1.107 834 1HG LYS 46 1HG LYS 46 8.363 14.882 1.557 835 2HG LYS 46 2HG LYS 46 9.066 13.322 1.131 836 1HD LYS 46 1HD LYS 46 7.105 14.009 -0.846 837 2HD LYS 46 2HD LYS 46 8.191 15.381 -0.631 838 1HE LYS 46 1HE LYS 46 9.524 12.730 -0.741 839 2HE LYS 46 2HE LYS 46 8.780 13.281 -2.256 840 1HZ LYS 46 1HZ LYS 46 10.406 15.097 -0.577 841 2HZ LYS 46 2HZ LYS 46 9.977 15.268 -2.212 842 3HZ LYS 46 3HZ LYS 46 11.127 14.105 -1.750 843 H LYS 47 H LYS 47 4.422 13.766 3.184 844 HA LYS 47 HA LYS 47 4.400 16.586 3.421 845 1HB LYS 47 1HB LYS 47 2.545 14.760 3.077 846 2HB LYS 47 2HB LYS 47 2.430 14.805 4.837 847 1HG LYS 47 1HG LYS 47 1.897 17.146 4.828 848 2HG LYS 47 2HG LYS 47 2.287 17.290 3.113 849 1HD LYS 47 1HD LYS 47 0.355 16.135 2.445 850 2HD LYS 47 2HD LYS 47 0.145 15.381 4.027 851 1HE LYS 47 1HE LYS 47 0.024 18.375 3.874 852 2HE LYS 47 2HE LYS 47 -1.381 17.441 3.323 853 1HZ LYS 47 1HZ LYS 47 -1.680 17.691 5.627 854 2HZ LYS 47 2HZ LYS 47 -0.051 17.353 5.969 855 3HZ LYS 47 3HZ LYS 47 -1.086 16.114 5.438 856 H GLU 48 H GLU 48 4.128 14.177 6.072 857 HA GLU 48 HA GLU 48 4.237 16.060 8.213 858 1HB GLU 48 1HB GLU 48 5.006 13.140 7.948 859 2HB GLU 48 2HB GLU 48 4.911 13.980 9.497 860 1HG GLU 48 1HG GLU 48 2.549 14.528 9.067 861 2HG GLU 48 2HG GLU 48 2.638 13.705 7.510 862 H GLY 49 H GLY 49 6.822 14.253 6.546 863 1HA GLY 49 1HA GLY 49 9.001 15.382 6.223 864 2HA GLY 49 2HA GLY 49 8.781 16.126 7.807 865 H ARG 50 H ARG 50 8.011 12.751 7.204 866 HA ARG 50 HA ARG 50 9.851 11.926 9.333 867 1HB ARG 50 1HB ARG 50 7.698 10.768 7.621 868 2HB ARG 50 2HB ARG 50 8.860 9.638 8.318 869 1HG ARG 50 1HG ARG 50 7.706 11.732 10.111 870 2HG ARG 50 2HG ARG 50 6.676 10.373 9.660 871 1HD ARG 50 1HD ARG 50 8.239 8.778 10.570 872 2HD ARG 50 2HD ARG 50 9.473 10.033 10.795 873 HE ARG 50 HE ARG 50 7.173 9.585 12.533 874 1HH1 ARG 50 1HH1 ARG 50 10.114 10.926 12.642 875 2HH1 ARG 50 2HH1 ARG 50 9.658 12.438 13.357 876 1HH2 ARG 50 1HH2 ARG 50 6.260 11.949 12.865 877 2HH2 ARG 50 2HH2 ARG 50 7.476 13.016 13.484 878 H ILE 51 H ILE 51 9.605 11.481 5.801 879 HA ILE 51 HA ILE 51 12.388 10.362 5.825 880 HB ILE 51 HB ILE 51 11.662 9.329 3.658 881 1HG1 ILE 51 1HG1 ILE 51 8.827 10.007 4.311 882 2HG1 ILE 51 2HG1 ILE 51 9.802 11.253 3.533 883 1HG2 ILE 51 1HG2 ILE 51 11.333 8.296 6.016 884 2HG2 ILE 51 2HG2 ILE 51 10.442 7.583 4.671 885 3HG2 ILE 51 3HG2 ILE 51 9.627 8.679 5.787 886 1HD1 ILE 51 1HD1 ILE 51 9.291 10.220 1.586 887 2HD1 ILE 51 2HD1 ILE 51 8.716 8.772 2.414 888 3HD1 ILE 51 3HD1 ILE 51 10.436 8.977 2.088 889 H GLY 52 H GLY 52 12.920 10.715 3.093 890 1HA GLY 52 1HA GLY 52 12.772 12.606 1.432 891 2HA GLY 52 2HA GLY 52 12.849 13.695 2.818 892 H ALA 53 H ALA 53 14.735 10.872 1.664 893 HA ALA 53 HA ALA 53 17.217 12.441 2.283 894 1HB ALA 53 1HB ALA 53 18.189 10.083 2.454 895 2HB ALA 53 2HB ALA 53 16.534 9.489 2.314 896 3HB ALA 53 3HB ALA 53 16.996 10.501 3.683
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